2 author = {Alvarez, E. and Yohai, V.},
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3 title = {M-estimators for isotonic regression},
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4 journal = {J. Stat. Planning and Inference},
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11 author = {Wang, Y. and Huang, J.},
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12 title = {Limiting distribution for monotone median regression},
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13 journal = {J. Stat. Planning and Inference},
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19 @article{tridiag_GPU,
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20 author = {G\"oddeke , D. and Strzodka, R.},
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21 title = {Cyclic Reduction Tridiagonal Solvers on {GPU}s Applied to Mixed Precision Multigrid},
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22 journal = { IEEE Transactions on Parallel and Distributed Systems},
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29 title = {Maple User Manual},
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30 publisher = {Maplesoft},
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34 @misc{Mathmaticamanual,
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35 title = {Mathematica User Manual},
\r
36 publisher = {Wolfram Research },
\r
41 title = { Matlab user manual},
\r
42 publisher = {Mathworks},
\r
46 title = {http://www.nvidia.com/object/cuda_home.html},
\r
51 author = {\v Sabo, M. and Koles\'arov\'a, A. and Varga, \v S. },
\r
52 title = {{RET} operators generated by triangular norms and copulas},
\r
53 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
58 @inproceedings{Abbas2011,
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59 author = {Abbas, M. and Majid, A. A. and Awang, M. N. H. and Ali, J. M.},
\r
60 title = {Monotonicity Preserving Interpolation using Rational Spline},
\r
61 booktitle = {International MultiConference of Engineers and Computer Scientists (IMECS '11)},
\r
62 address = {Hong Kong},
\r
69 author = {Abel, N. H.},
\r
70 title = {Untersuchungen der Funktionen zweier unabh\"angigen ver\"anderlichen Gr\"ossen $x$ und $y$ wie $f(x, y)$, welche die Eigenschaft haben, dass $f(z, f(x, y))$ eine symmetrische Funktion von $x, y$ und $z$ ist.},
\r
71 journal = {J. Reine Angew. Math.},
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77 author = {Abraham, A. and Nath, B.},
\r
78 title = {Optimal Design of Neural Nets Using Hybrid Algorithms},
\r
79 booktitle = {6th Pacific Rim International Conference on Artificial Intelligence},
\r
80 address = {Melbourne},
\r
81 publisher = {Springer Verlag},
\r
86 author = {Abraham, A. and Nath, B.},
\r
87 title = {ALEC -An Adaptive Learning Framework for Optimizing Artificial Neural Networks},
\r
88 booktitle = {Computational Science},
\r
89 editor = {Alexandrov, V. N.},
\r
90 publisher = {Springer-Verlag},
\r
91 address = {San Francisco, USA},
\r
96 @book{Abramowitz1981,
\r
97 author = {Abramowitz, M. and Stegun, A.},
\r
98 title = {Handbook of mathematical functions with formulas, graphs, and mathematical tables},
\r
99 publisher = {National Bureau of Standards},
\r
100 address = {Washington},
\r
104 @article{Acerbi2002_EN,
\r
105 author = {Acerbi, C. and Tasche, D.},
\r
106 title = {Expected Shortfall: a natural coherent alternative to Value at Risk},
\r
107 journal = {Economic Notes},
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113 @article{Aczel1948,
\r
114 author = {Aczel, J.},
\r
115 title = {On mean values},
\r
116 journal = {Bulletin of the American Math. Society},
\r
122 author = {Aczel, J.},
\r
123 title = {Lectures on Functional Equations and their Applications},
\r
124 publisher = {Academic Press},
\r
125 address = {New York},
\r
129 @book{Aczel1969_book,
\r
130 author = {Aczel, J.},
\r
131 title = {On Applications and Theory of Functional Equations},
\r
132 publisher = {Academic Press},
\r
133 address = {New York},
\r
137 @article{Aczel-Alsina1984,
\r
138 author = {Aczel, J. and Alsina, C.},
\r
139 title = {Characterization of some classes of quasilinear functions with applications to triangular norms and to synthesizing judgements},
\r
140 journal = {Methods Oper. Res.},
\r
146 author = {Adams, M. J.},
\r
147 title = {Chemometrics in Analytical Spectroscopy},
\r
148 publisher = {Royal Society of Chemistry},
\r
149 address = {London},
\r
150 series = {RSC Analytical Spectroscopy Monographs},
\r
151 keywords = {graduate text
\r
158 author = {Addis, B. and Locatelli, M.},
\r
159 title = {A new class of test functions for global optimization},
\r
160 institution = {Università degli Studi di Firenze},
\r
161 number = {DSI 4-2005},
\r
165 author = {Adjiman, C. S. and Androulakis, I. P. and Floudas, C. A.},
\r
166 title = {Global Optimization of Minlp Problems in Process Synthesis and Design},
\r
167 journal = {Computers and Chemical Engineering},
\r
169 number = {Suppl S},
\r
170 pages = {S 445-S 450},
\r
171 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
172 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
173 abstract = {Two new methodologies for the global optimization of MINLP models, the Special structure Mixed Integer Nonlinear alpha BB, SMIN-alpha BB, and the General structure Mixed Integer Nonlinear alpha BB, GMIN-alpha BB, are presented. Their theoretical foundations provide guarantees that the global optimum solution of MINLPs involving twice-differentiable nonconvex functions in the continuous variables can be identified. The conditions imposed on the functionality of the binary variables differ for each method: linear and mixed bilinear terms can be treated with the SMIN-alpha BB; mixed nonlinear terms whose continuous relaxation is twice-differentiable are handled by the GMIN-alpha BB. While both algorithms use the concept of a branch and bound tree, they rely on fundamentally different bounding and branching strategies. In the GMIN-alpha BB algorithm, lower (upper) bounds at each node result from the solution of convex (nonconvex) MINLPs derived from the original problem. The construction of convex lower bounding MINLPs, using the techniques recently developed for the generation of valid convex underestimators for twice-differentiable functions (Adjiman et al., 1996; Adjiman and Floudas, 1996), is an essential task as it allows to solve the underestimating problems to global optimality using the GBD algorithm or the OA algorithm, provided that the binary variables participate separably and linearly. Moreover, the inherent structure of the MINLP problem can be fully exploited as branching is performed on the binary and the continuous variables. In the case of the SMIN-alpha BB algorithm, the lower and upper bounds are obtained by solving continuous relaxations of the original MINLP. Using the alpha BB algorithm, these nonconvex NLPs are solved as global optimization problems and hence valid lower bounds are generated. Since branching is performed exclusively on the binary variables, the maximum size of the branch-and-bound tree is smaller than that for the SMIN-alpha BB. The two proposed approaches are used to generate computational results on various nonconvex MINLP problems that arise in the areas of Process Synthesis and Design. [References: 26]},
\r
174 keywords = {Integer nonlinear programs. Outer-approximation. Decomposition.
\r
176 Chemical engineering.},
\r
180 author = {Adjiman, C. S. and Androulakis, I. P. and Floudas, C. A.},
\r
181 title = {A Global Optimization Method, Alpha-Bb, for General Twice-Differentiable Constrained Nlps - Ii - Implementation and Computational Results},
\r
182 journal = {Computers and Chemical Engineering},
\r
185 pages = {1159-1179},
\r
186 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
187 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
188 abstract = {Part I of this paper (Adjiman et al., 1998a) described the theoretical foundations of a global optimization algorithm, the alpha BB algorithm, which can be used to solve problems belonging to the broad class of twice-differentiable NPLs. For any such problem, the ability to automatically generate progressively tighter convex lower bounding problems at each iteration guarantees the convergence of the branch-and-bound alpha BB algorithm to within epsilon of the global optimum solution. Several methods were presented for the construction of valid convex underestimators for general nonconvex functions. In this second part, the performance of the proposed algorithm and its alternative underestimators is studied through their application to a variety of problems. An implementation of the alpha BB is described and a number of rules for branching variable selection and variable bound updates are shown to enhance convergence rates. A user-friendly parser facilitates problem input and provides flexibility in the selection of an underestimating strategy. In addition, the package features both automatic differentiation and interval arithmetic capabilities. Making use of all the available options, the alpha BB algorithm successfully identifies the global optimum solution of small literature problems, of small and medium size chemical engineering problems in the areas of reactors network design, heat exchanger network design, reactor-separator network design, of generalized geometric programming problems for design and control, and of batch process design problems with uncertainty. (C) 1998 Elsevier Science Ltd. All rights reserved. [References: 22]},
\r
189 keywords = {Design.
\r
190 Chemical engineering.},
\r
194 author = {Adjiman, C. S. and Androulakis, I. P. and Floudas, C. A.},
\r
195 title = {Global optimization of mixed-integer nonlinear problems},
\r
196 journal = {AICHE Journal},
\r
199 pages = {1769-1797},
\r
200 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
201 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0007 AICHE J},
\r
202 abstract = {Two novel deterministic global optimization algorithms for nonconvex mixed-integer problems (MINLPs) are proposed, using the advances of the alpha BB algorithm for nonconvex NLPs of Adjiman et al. the special structure mixed-integer alpha BB algorithm (SMIN-alpha BB) addresses problems with nonconvexities in the continuous variables and linear and mixed-bilinear participation of the binary variables. The general structure mixed-integer alpha BB algorithm (GMIN-alpha BB) is applicable to a very general class of problems for which the continuous relaxation is twice continuously differentiable. Both algorithms are developed using the concepts of branch-and-bound, but they differ in their approach to each of the required steps. The SMIN-alpha BB algorithm is based on the convex underestimation of the continous functions, while the GMIN-alpha BB algorithm is centered around the convex relaxation of the entire problem. Both algorithms rely on optimization or interval-based variable-bound updates to enhance efficiency. A series of medium-size engineering applications demonstrates the performance of the algorithms. Finally, a comparison of the two algorithms on the same problems highlights the value of algorithms that can handle binary or integer variables without reformulation. [References: 58] 58},
\r
203 keywords = {Differentiable constrained nlps. Nonconvex minlp problems. Alpha-bb.
\r
204 Bound algorithm. Process design. Branch. Strategy. Systems.
\r
206 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
209 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
210 Princeton, NJ 08544, USA, .},
\r
214 author = {Adjiman, C. S. and Androulakis, I. P. and Maranas, C. D. and Floudas, C. A.},
\r
215 title = {A Global Optimization Method, Alpha-Bb, for Process Design},
\r
216 journal = {Computers and Chemical Engineering},
\r
218 number = {Suppl A},
\r
219 pages = {S 419-S 424},
\r
220 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
221 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0071},
\r
222 abstract = {A global optimization algorithm, alpha BB, for twice-differentiable NLPs is presented. It operates within a branch-and-bound framework and requires the construction of a convex lower bounding problem. A technique to generate such a valid convex underestimator for arbitrary twice-differentiable functions is described. The alpha BB has been applied to a variety of problems and a summary of the results obtained is provided. [References: 17] 17},
\r
223 keywords = {Chemical engineering.
\r
224 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
225 PRINCETON, NJ 08544, USA.},
\r
229 author = {Adjiman, C. S. and Dallwig, S. and Floudas, C. A. and Neumaier, A.},
\r
230 title = {A Global Optimization Method, Alpha-Bb, for General Twice-Differentiable Constrained Nlps - I - Theoretical Advances},
\r
231 journal = {Computers and Chemical Engineering},
\r
234 pages = {1137-1158},
\r
235 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
236 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA UNIV VIENNA INST MATH A-1090 VIENNA AUSTRIA},
\r
237 abstract = {In this paper, the deterministic global optimization algorithm, alpha BB (alpha-based Branch and Bound) is presented. This algorithm offers mathematical guarantees for convergence to a point arbitrarily close to the global minimum for the large class of twice-differentiable NLPs. The key idea is the construction of a converging sequence of upper and lower bounds on the global minimum through the convex relaxation of the original problem. This relaxation is obtained by (i) replacing all nonconvex terms of special structure (i.e., bilinear, trilinear, fractional, fractional trilinear, univariate concave) with customized tight convex lower bounding functions and (ii) by utilizing some alpha parameters as defined by Maranas and Floudas (1994b) to generate valid convex underestimators for nonconvex terms of generic structure. In most cases, the calculation of appropriate values for the alpha parameters is a challenging task. A number of approaches are proposed, which rigorously generate a set of alpha parameters for general twice-differentiable functions. A crucial phase in the design of such procedures is the use of interval arithmetic on the Hessian matrix or the characteristic polynomial of the function being investigated. Thanks to this step, the proposed schemes share the common property of computational tractability and preserve the global optimality guarantees of the algorithm. However, their accuracy and computational requirements differ so that no method can be shown to perform consistently better than others for all problems. Their use is illustrated on an unconstrained and a constrained example. The second part of this paper (Adjiman et al., 1998) is devoted to the discussion of issues related to the implementation of the alpha BB algorithm and to extensive computational studies illustrating its potential applications. (C) 1998 Elsevier Science Ltd. All rights reserved. [References: 38]},
\r
238 keywords = {Nonconvex nlps. Algorithm gop.
\r
239 Chemical engineering.},
\r
243 @article{Taylor2008_AMSG,
\r
244 author = {Adler, R. and Ewing, J. and Taylor, P.},
\r
245 title = {Joint committee on quantitative assessment of research: citation statistics},
\r
246 journal = {Australian Mathematical Society Gazette},
\r
252 @article{Agullo2001_CSDA,
\r
253 author = {Agull\'o, José},
\r
254 title = {New algorithms for computing the least trimmed squares regression estimator},
\r
255 journal = {Computational Statistics and Data Analysis},
\r
260 doi: DOI: 10.1016/S0167-9473(00)00056-6},
\r
261 keywords = {Least trimmed squares
\r
262 Multiple linear regression
\r
264 High breakdown point
\r
266 Exchange algorithm},
\r
270 @article{Agullo2008_JMA,
\r
271 author = {Agull\'o, Jose and Croux, Christophe and Van Aelst, Stefan},
\r
272 title = {The multivariate least-trimmed squares estimator},
\r
273 journal = {Journal of Multivariate Analysis},
\r
278 doi: DOI: 10.1016/j.jmva.2006.06.005},
\r
279 keywords = {Multivariate regression
\r
282 Minimum covariance determinant estimator},
\r
286 @phdthesis{Agullo_thesis,
\r
287 author = {Agullo, J.},
\r
288 title = {Computación de estimadores con alto punto de ruptura},
\r
289 university = {University of Alicante},
\r
294 author = {Ahlberg, J.H. and Nilson, E.N. and Walsh, J.L.},
\r
295 title = {The theory of splines and their applications},
\r
296 publisher = {Academic Press Inc.},
\r
297 address = {New York},
\r
302 @article{Ahn2006_TFS,
\r
303 author = {Ahn, B.S.},
\r
304 title = {On the oroperties of {OWA} operator weights functions with constant level of orness},
\r
305 journal = {IEEE Trans. on Fuzzy Systems},
\r
312 author = {Akl, S.G.},
\r
313 title = {Parallel Sorting Algorithms},
\r
314 publisher = {Academic Press, Inc.},
\r
315 address = {Orlando},
\r
319 @incollection{Alfeld1989_inbook,
\r
320 author = {Alfeld, P.},
\r
321 title = {Scattered Data Interpolation in Three or More Variables},
\r
322 booktitle = {Mathematical Methods in Computer Aided Geometric Design},
\r
323 editor = {Schumaker, L.L. and Lyche, T.},
\r
324 publisher = {Academic Press},
\r
325 address = {New York},
\r
330 @incollection{Alfeld1989,
\r
331 author = {Alfeld, Peter},
\r
332 title = {Scattered data interpolation in three or more variables},
\r
333 booktitle = {Mathematical methods in computer aided geometric design},
\r
334 editor = {Lyche, T. and Schumaker, L.L.},
\r
335 publisher = {Academic Press Professional, Inc.},
\r
340 @article{AlFuriahIEEE,
\r
341 author = {Al-Furiah, I. and Aluru, S. and Goil, S. and Ranka, S.},
\r
342 title = {Practical algorithms for selection on coarse-grained parallel computers},
\r
343 journal = {IEEE Transactions on Parallel and Distributed Systems},
\r
346 keywords = {hypercube networks
\r
347 parallel algorithms
\r
348 randomised algorithms
\r
349 resource allocation
\r
351 coarse-grained parallel computers
\r
352 communication overhead
\r
353 deterministic algorithms
\r
354 distributed memory parallel computers
\r
357 randomized algorithms},
\r
361 author = {Alig, I. and Floudas, G. and Avgeropoulos, A. and Hadjichristidis, N.},
\r
362 title = {Junction Point Fluctuations in Microphase Separated Polystyrene-Polyisoprene-Polystyrene Triblock Copolymer Melts - a Dielectric and Rheological Investigation},
\r
363 journal = {Macromolecules},
\r
366 pages = {5004-5011},
\r
367 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
368 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS FORTH INST ELECT STRUCT and LASER POB 1527 IRAKLION 71110 GREECE FDN RES and TECHNOL HELLAS FORTH INST ELECT STRUCT and LASER IRAKLION 71110 GREECE UNIV ATHENS DEPT CHEM GR-15771 ATHENS GREECE},
\r
369 abstract = {Dielectric spectroscopy is employed in two polystyrene-polyisoprene-polystyrene (SIS) triblock copolymers well below the order-to-disorder transition temperature and in the frequency range from 10(-2) to 10(6) Hz. Small angle X-ray scattering has shown the formation of lamellar structures with a long period of about 25 nm. Besides the polyisoprene and polystyrene segmental relaxations and a slower process associated with the reorientation of the interface, we provide evidence for a new type of chain dynamics associated with the mobility of the junction points at the interface. From the relaxation strength of this process-which is very much reduced as compared to the chain relaxation in bulk polyisoprene-we extract a characteristic length of the end-to-end vector fluctuations in the interface in the range 4-6 nm. This value compares well with an independent estimate of the interfacial thickness based on thermodynamics. Dielectric spectroscopy can therefore be used as a dynamic probe of the interface in ordered triblock copolymers. Over the same temperature range rheology is influenced by a broad spectrum of modes related to the dynamics of tethered polyisoprene chains. [References: 44]},
\r
370 keywords = {Order-disorder transition. Normal-mode relaxation. Diblock copolymers.
\r
371 Block-copolymers. Cis-polyisoprene. Polybutadiene polystyrene.
\r
372 Unidirectional shear. Star copolymers. Styrene. Isoprene.
\r
373 Organic chemistry/polymer science.},
\r
377 author = {Alig, I. and Tadjbakhsch, S. and Floudas, G. and Tsitsilianis, C.},
\r
378 title = {Viscoelastic Contrast and Kinetic Frustration During Poly(Ethylene Oxide) Crystallization in a Homopolymer and a Triblock Copolymer - Comparison of Ultrasonic and Low-Frequency Rheology},
\r
379 journal = {Macromolecules},
\r
382 pages = {6917-6925},
\r
383 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
384 Reprint available from: Alig I DEUTSCH KUNSTSTOFF INST SCHLOSSGARTENSTR 6 D-64289 DARMSTADT GERMANY FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER IRAKLION 71110 CRETE GREECE INST CHEM ENGN and HIGH TEMP PROC PATRAS 26500 GREECE UNIV PATRAS DEPT CHEM ENGN PATRAS 26500 GREECE},
\r
385 abstract = {We report a combined study using an ultrasonic shear wave reflection technique and conventional low-frequency rheology for the investigation of the crystallization kinetics and melting of a poly(ethylene oxide) (PEO) homopolymer and a poly(ethylene oxide)-polystyrene-poly(ethylene oxide) (PEO-PS-PEO) triblock copolymer. Both isochronal heating and isothermal/isochronal kinetic measurements of the complex dynamic shear modulus G* have been performed with high-frequency (ultrasonic) and conventional low-frequency rheology at frequencies of 3.5 MHz and 0.16 Hz, respectively. The different frequencies create a different viscoelastic contrast between the two phases in the two experiments. In both experiments the system can be regarded as a composite material made of spherulites within the amorphous matrix, and the increase of the shear modulus with time is attributed to the growing of spherulites at the expense of the amorphous matrix. The kinetics of crystallization are analyzed in the framework of the Avrami equation using different mechanical models that describe a two-phase composite. Although a simple parallel model composed of an amorphous and a spherulitic phase suffices to describe the ultrasonic shear experiment, a more complex model involving phase inversion is required to account for the abrupt dependence of the shear modulus on time in rheology. The effect of external shear is to speed up the kinetics. The ultrasonic shear experiments for the homopolymer crystallization are compared with those of the triblock copolymer, and it is found that the final modulus in the latter is considerably lower than that in the former experiment. This is explained by the less perfect structure of the lamellae and/or the spherulites in the copolymer and the kinetic frustration of the crystallization (for low undercooling) due to the glassy PS microphase. It is shown that the comparison of high and low-frequency rheology can provide new insights on the crystallization process and the final morphology in semicrystalline polymers. [References: 33]},
\r
386 keywords = {Block copolymers. Diblock copolymer. Polymers.
\r
387 Organic chemistry/polymer science.},
\r
391 author = {Alig, I. and Tadjbakhsch, S. and Hadjichristidis, N. and Floudas, G.},
\r
392 title = {Order-to-disorder transition in a diblock copolymer studied at ultrasonic frequencies with a shear wave reflection technique},
\r
393 journal = {Europhysics Letters},
\r
397 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
398 Reprint available from: Alig I Deutsch Kunststoff Inst Darmstadt Schlossgartenstr 6 D-64289 Darmstadt Germany Deutsch Kunststoff Inst Darmstadt D-64289 Darmstadt Germany Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece 0007 Europhys. Lett},
\r
399 abstract = {The order-to-disorder transition (ODT) has been studied in a poly(styrene-b-isoprene) diblock copolymer with conventional rheology and an ultrasonic shear wave reflection technique. Despite the operational frequency in the latter experiment (f = 5 MHz) being much higher than the critical frequency omega (c), the storage modulus exhibits a discontinuous increase at the same temperature at which in conventional rheology a discontinuous decrease is obtained. This results from a change in the mixing law at the ODT. The method constitutes a nondestructive probe of the viscoelastic properties of "soft" materials in the vicinity of phase transitions. [References: 16] 16},
\r
400 keywords = {Microphase separation. Rheology. Crystallization.
\r
401 Physics in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
403 Reprint available from: Alig I. Deutsch Kunststoff Inst Darmstadt,
\r
404 Schlossgartenstr 6, D-64289 Darmstadt, Germany.},
\r
408 author = {Al-Khayyal, Faiz A. and Pardalos, Panos M.},
\r
409 title = {Global Optimization},
\r
410 journal = {SIAM Review},
\r
414 note = {Review grade: A},
\r
415 keywords = {Torn, Aimo
\r
421 @book{Allen1990_book,
\r
422 author = {Allen, M.P. and Tildesley, D.J.},
\r
423 title = {Computer Simulations of Liquids},
\r
424 publisher = {Oxford Science Publications},
\r
425 address = {Oxford},
\r
426 keywords = {standard text},
\r
430 author = {Allinger, N.L. and Chen, K. and Lii, J.-H.},
\r
431 title = {An improved force field (MM4) for saturated hydrocarbons},
\r
432 journal = {J. Comput. Chem.},
\r
436 keywords = {alkanes
\r
438 molecular mechanics (MM)
\r
439 molecular modelling
\r
440 potential energy surface (PES)},
\r
444 @article{Alsina1983,
\r
445 author = {Alsina, C.},
\r
446 title = {On convex triangle functions},
\r
447 journal = {Aequationes Math.},
\r
453 @book{Alsina2006_book,
\r
454 author = {Alsina, C. and Frank, M.J. and Schweizer, B.},
\r
455 title = {Associative Functions: Triangular Norms and Copulas},
\r
456 publisher = {World Scientific},
\r
457 address = {Singapore},
\r
461 author = {Al-Sultan, K.S.},
\r
462 title = {A tabu-search approach to the clustering problem},
\r
463 journal = {Pattern Recognition},
\r
465 pages = {1443-1451},
\r
469 author = {Al-Sultan, K. S. and Selim, S. Z.},
\r
470 title = {A Global Algorithm for the Fuzzy Clustering Problem},
\r
471 journal = {Pattern Recognition},
\r
474 pages = {1357-1361},
\r
475 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
476 Reprint available from: Alsultan KS KING FAHD UNIV PETR and MINERALS DEPT SYST ENGN DHAHRAN 31261 SAUDI ARABIA 0007},
\r
477 abstract = {The Fuzzy clustering (FC) problem is a non-convex mathematical program which usually possesses several local minima. The global minimum solution of the problem is found using a simulated annealing-based algorithm. Some preliminary computational experiments are reported and the solution is compared with that generated by the Fuzzy C-means algorithm. [References: 8] 8},
\r
478 keywords = {Fuzzy clustering. Fuzzy c-means algorithm. Continuous simulated
\r
479 annealing. Non-convex programming. Global optimization.
\r
480 Ai, robotics and automatic control.
\r
481 Reprint available from: Alsultan KS. KING FAHD UNIV PETR and MINERALS, DEPT
\r
482 SYST ENGN, DHAHRAN 31261, SAUDI ARABIA.},
\r
486 author = {Amaya Cruz, G.P. and Beliakov, G.},
\r
487 title = {Approximate reasoning and interpretation of laboratory tests in medical diagnostics},
\r
488 journal = {Cybernetics and Systems},
\r
494 @inproceedings{Amdahl1967,
\r
495 author = {Amdahl, G.M.},
\r
496 title = {Validity of the single-processor approach to achieving large scale computing capabilities},
\r
497 booktitle = {AFIPS Conference Proceeings},
\r
498 address = {Atlantic City, N.J., Apr. 18-20},
\r
499 publisher = {AFIPS Press, Reston},
\r
505 author = {Andersson, L.-E. and Elfving, T.},
\r
506 title = {An algorithm for constrained interpolation},
\r
507 journal = {SIAM J.Scient. Stat. Comput.},
\r
509 pages = {1012-1025},
\r
513 @article{AndElf1987,
\r
514 author = {Andersson, L-E. and Elfving, T.},
\r
515 title = {An algorithm for constrained interpolation},
\r
516 journal = {SIAM J. Sci. Stat. Comput.},
\r
518 pages = {1012-1025},
\r
525 author = {Andersson, L.-E. and Elfving, T.},
\r
526 title = {Interpolation and approximation by monotone cubic splines},
\r
527 journal = {J. Approx. Theory },
\r
533 @article{Andersson1991_JAT,
\r
534 author = {Andersson, L.-E. and Elfving, T.},
\r
535 title = {Interpolation and approximation by monotone cubic splines},
\r
536 journal = {Journal of Approximation Theory},
\r
543 @article{AndElf1990a,
\r
544 author = {Andersson, L.-E. and Elfving, T.},
\r
545 title = {Interpolation and approximation by monotone cubic splines},
\r
546 journal = {J. Approx. Theory},
\r
553 author = {Andersson, L.-E. and Ivert, P.-A.},
\r
554 title = {Constrained interpolants with minimal Wk,p norm},
\r
555 journal = {J. Approx. Theory},
\r
561 @article{AndIvert1987,
\r
562 author = {Andersson, Lars-Erik and Ivert, Per-Anders},
\r
563 title = {Constrained interpolants with minimal Wk,p-norm},
\r
564 journal = {J. Approx. Theory},
\r
571 @techreport{AndElf1990b,
\r
572 author = {Andersson, Lars-Erik and Ivert, Per-Anders},
\r
573 title = {Interpolation by positive cubic spline},
\r
574 institution = {Department of Mathematics, Linkoping Institute of Technology},
\r
578 author = {Andramonov, M. and Filar, J. and Pardalos, P. and Rubinov, A.M.},
\r
579 title = {Hamiltonian Cycle Problem via Markov chains and min-type approaches},
\r
580 booktitle = {Approximation and Complexity in Numerical Optimization: Continuous and Discrete Problems},
\r
581 editor = {Pardalos, P.M.},
\r
582 series = {Nonconvex Optimization and its Applications},
\r
583 publisher = {Kluwer Academic Publishers},
\r
584 address = {Dordrecht},
\r
590 @article{Andramonov1999_aml,
\r
591 author = {Andramonov, M. and Rubinov, A. and Glover, B.},
\r
592 title = {Cutting angle methods in global optimization},
\r
593 journal = {Applied Mathematics Letters},
\r
597 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.},
\r
598 abstract = {A generalization of the cutting plane method from convex minimization is proposed applicable to a very broad class of nonconvex global optimization problems. Convergence results are described along with details of the initial numerical implementation of the algorithms. In particular, we study minimization problems in which the objective function is increasing and convex-along-rays. (C) 1999 Elsevier Science Ltd. All rights reserved. [References: 10] 10},
\r
599 keywords = {Global optimization
\r
604 Generalized cutting plane method
\r
605 Cutting angle method},
\r
609 author = {Andricioaei, I. and Straub, J. E.},
\r
610 title = {Global Optimization Using Bad Derivatives - Derivative-Free Method for Molecular Energy Minimization},
\r
611 journal = {Journal of Computational Chemistry},
\r
614 pages = {1445-1455},
\r
615 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
616 Reprint available from: Andricioaei I BOSTON UNIV DEPT CHEM 590 COMMONWEALTH AVE BOSTON, MA 02215 USA},
\r
617 abstract = {A general method designed to isolate the global minimum of a multidimensional objective function with multiple minima is presented. The algorithm exploits an integral ''coarse-graining'' transformation of the objective function, U, into a smoothed function with few minima. When the coarse-graining is defined over a cubic neighborhood of length scale epsilon, the exact gradient of the smoothed function, U-epsilon, is a simple three-point finite difference of U. When epsilon is very large, the gradient of U-epsilon appears to be a ''bad derivative'' of U. Because the gradient of U-epsilon is a simple function of U, minimization on the smoothed surface requires no explicit calculation or differentiation of U-epsilon. The minimization method is ''derivative-free'' and may be applied to optimization problems involving functions that are not smooth or differentiable. Generalization to functions in high-dimensional space is straightforward. In the context of molecular conformational optimization, the method may be used to minimize the potential energy or, preferably, to maximize the Boltzmann probability function. The algorithm is applied to conformational optimization of a model potential, Lennard-Jones atomic clusters, and a tetrapeptide. (C) 1998 John Wiley and Sons, Inc. J Comput Chem 19: 1445-1455, 1998. [References: 27]},
\r
618 keywords = {Conformational optimization. Energy minimization. Peptides. Simulated
\r
620 Classical density distribution. Diffusion equation method. Approximate
\r
621 solution. Dynamics. Hypersurface. Deformation. Systems.
\r
626 author = {Androulakis, I. P. and Nayak, N. N. and Ierapetritou, M. G. and Monos, D. S. and Floudas, C. A.},
\r
627 title = {A Predictive Method for the Evaluation of Peptide Binding in Pocket 1 of Hla-Drb1 Via Global Minimization of Energy Interactions},
\r
628 journal = {Proteins},
\r
632 note = {Current Contents/Life Sciences
\r
633 Reprint available from: Floudas CA PRINCETON UNIV DEPT ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA UNIV PENN CHILDRENS HOSP DEPT PEDIAT PHILADELPHIA, PA 19104 USA},
\r
634 abstract = {Human leukocyte antigens (HLA) or histocompatibility molecules are glycoproteins that play a pivotal role in the development of an effective immune response, An important function of the HLA molecules is the ability to bind and present antigen peptides to T lymphocytes, Presently there is no comprehensive way of predicting and energetically evaluating peptide binding on HLA molecules, To quantitatively determine the binding specificity of a class II KLA molecule interacting with peptides, a novel decomposition approach based on deterministic global optimization is proposed that takes advantage of the topography of HLA binding grove, and examined the interactions of the bound peptide with the five different pockets. In particular, the main focus of this paper is the study of pocket 1 of HLADR1 (DRB1*0101 allele), The determination of the minimum energy conformation is based on the ECEPP/3 potential energy model that describes the energetics of the atomic interactions, The minimization of the total potential energy is formulated on the set of peptide dihedral angles, Ruler angles, and translation variables to describe the relative position. The deterministic global optimization algorithm, alpha BB, which has been shown to be epsilon-convergent to the global minimum potential energy through the solution of a series of nonlinear convex optimization problems, is utilized. The PACK conformational energy model that utilizes the ECEPP/3 model but also allows the consideration of protein chain interactions is interfaced with alpha BB. MSEED, a program used to calculate the solvation contribution via the area accessible to the solvent, is also interfaced with alpha BB, Results are presented for the entire array of naturally occurring amino acids binding to pocket 1 of the HLA DR1 molecule and very good agreement with experimental binding assays is obtained. (C) l997 Wiley-Liss, Inc. [References: 42]},
\r
635 keywords = {Peptide docking. Global optimization. Hla-drb1 class ii protein.
\r
636 Force-field. Nucleic-acids. Nonbonded interactions. Docking.
\r
637 Proteins. Molecules. Conformations. Hydrocarbons. Polypeptides.
\r
639 Biochemistry and biophysics.},
\r
643 @article{Angilella2004_EJOR,
\r
644 author = {Angilella, S. and Greco, S. and Lamantia, F. and Matarazzo, B.},
\r
645 title = {Assessing non-additive utility for multicriteria decision aid},
\r
646 journal = {Europ. J. Oper. Res.},
\r
652 @article{AnsLaur1968,
\r
653 author = {Anselone, P. and Laurent, P.},
\r
654 title = {A general method for the construction of interpolating or smoothing spline-functions},
\r
655 journal = {Numerische Mathematik},
\r
659 keywords = {Mathematics and Statistics},
\r
663 author = {Apponyi, M. and Bowie, J.M.},
\r
664 booktitle = {International Molecular Modelling Conference},
\r
665 address = {Lorne, Victoria},
\r
666 note = {25-residue peptide: GLVSSIGKALGGLLADVVKSKGQPA-OH},
\r
667 keywords = {nuclear magnetic resonance (NMR)
\r
668 nuclear Overhauser effect (NOE)
\r
669 nuclear Overhauser effect spectroscopy (NOESY)
\r
670 total correlation spectroscopy (TOCSY)
\r
674 simulated annealing (SA)},
\r
678 author = {Apponyi, M.A. and Pukala, T.L. and Brinkworth, C.S. and Maselli, V.A. and Bowie, J.H. and Tyler, M.J. and Booker, G.W. and Wallace, J.C. and John, A. and Separovic, F. and Doyle, J. and Llewellyn, L.E.},
\r
679 title = {Host-defence peptides of Australian anurans: structure, mechanism of action and evolutionary significance},
\r
680 journal = {Peptides},
\r
683 pages = {1035-1054},
\r
684 abstract = {Host-defence peptides secreted from the skin glands of Australian frogs and toads, are, with a few notable exceptions, different from those produced by anurans elsewhere. This review summarizes the current knowledge of the following classes of peptide isolated and characterized from Australian anurans: neuropeptides (including smooth muscle active peptides, and peptides that inhibit the production of nitric oxide from neuronal nitric oxide synthase), antimicrobial and anticancer active peptides, antifungal peptides and antimalarial peptides. Other topics covered include sex pheromones of anurans, and the application of peptide profiling to (i) recognize particular populations of anurans of the same species and to differentiate between species, and (ii) investigate evolutionary aspects of peptide formation.},
\r
685 keywords = {journal
\r
688 Australian amphibians
\r
689 host-defence peptides
\r
693 nuclear magnetic resonance (NMR)
\r
694 mass spectrometry (MS)
\r
699 author = {Armijo, L.},
\r
700 title = {Minimization of functions having continuous partial derivatives},
\r
701 journal = {Pacific J. of Mathematics},
\r
708 author = {Arnold, B.C. and Balakrishnan, N. and Nagaraja, H.N.},
\r
709 title = {A First Course in Order Statistics},
\r
710 publisher = {Wiley},
\r
711 address = {New York},
\r
715 author = {Arrighi, V. and Higgins, J. S. and Burgess, A. H. and Floudas, G.},
\r
716 title = {Local Dynamics of Poly(Dimethyl Siloxane) in the Presence of Reinforcing Filler Particles},
\r
717 journal = {Polymer},
\r
720 pages = {6369-6376},
\r
721 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
722 Reprint available from: Arrighi V HERIOT WATT UNIV DEPT CHEM EDINBURGH EH14 4AS MIDLOTHIAN SCOTLAND UNIV LONDON IMPERIAL COLL SCI TECHNOL and MED DEPT CHEM ENGN LONDON SW7 2BY ENGLAND ICI CHEM and POLYMERS LTD RUNCORN WA7 4QD CHESHIRE ENGLAND FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER IRAKLION 71110 GREECE},
\r
723 abstract = {The dynamics of poly(dimethyl siloxane) (PDMS) filled with very fine silica particles with surface areas equal to 90 and 300 m(2) g(-1) has been investigated by quasielastic neutron scattering (QENS). The elastic scattering intensity has been monitored as a function of temperature up to 275 K and momentum transfer Q for values corresponding to the first and second sharp diffraction maxima. A small dynamic effect is observed below 235 K, i.e. below the melting temperature of PDMS. Considerable decrease of molecular mobility in the filled systems is detected above 235 K as a result of the decreased entropy of the adsorbed segments. The extent of reduced mobility is such that part of the chains no longer contributes to the quasielastic broadening but gives rise to an elastic component. At 40 wt% silica content and 250 K the fraction of immobilized segments amounts to 0.072 +/- 0.005 for the filler with 90 m(2) g(-1) surface area which corresponds to an adsorption layer of about 50 Angstrom. (C) 1998 Published by Elsevier Science Ltd. All rights reserved. [References: 28]},
\r
724 keywords = {Poly(dimethyl siloxane). Filler particles. Dynamics.
\r
725 Neutron-scattering experiments. Carbon-black. Dielectric-spectroscopy.
\r
726 Rubber interaction. Random ionomers. Chain motion. Polymers.
\r
727 Organic chemistry/polymer science.},
\r
732 author = {Arrow, K.J.},
\r
733 title = {Social Choice and Individual Values},
\r
734 publisher = {Wiley},
\r
735 address = {New York},
\r
739 @article{Arrow1959,
\r
740 author = {Arrow, K.J.},
\r
741 title = {Rational choice functions and orderings},
\r
742 journal = {Economica},
\r
747 @book{Arrow2002_book,
\r
748 author = {Arrow, K.J. and Sen, A. and Suzumura, K.},
\r
749 title = {Handbook of Social Choice and Welfare},
\r
750 publisher = {Elsevier},
\r
751 address = {New York},
\r
755 author = {Arsham, H. and Gradisar, M. and Stemberger, M.I.},
\r
756 title = {Linearly constrained global optimization: General solution algorithm with applications},
\r
757 journal = {Applied Mathematics & Computation},
\r
763 @article{Artzner1997_R,
\r
764 author = {Artzner, P. and Delbaen, F. and Eber, J.-M. and Heath, D.},
\r
765 title = {Thinking coherently},
\r
772 @article{Artzner1999_MF,
\r
773 author = {Artzner, P. and Delbaen, F. and Eber, J.-M. and Heath, D.},
\r
774 title = {Coherent measures of risk.},
\r
775 journal = {Mathematical Finance},
\r
777 pages = {203 -228},
\r
781 @article{Mount2009_ACM,
\r
782 author = {Arya, S. and Malamatos, T. and Mount, D.M.},
\r
783 title = {Space-time tradeoffs for approximate nearest neighbor searching},
\r
784 journal = {Journal of the ACM},
\r
790 @misc{Mount1993_conf,
\r
791 author = {Arya, S. and Mount, D.M.},
\r
792 title = {Approximate Nearest Neighbor Searching},
\r
797 @book{Atanassov1999_book,
\r
798 author = {Atanassov, K.T.},
\r
799 title = {Intuitionistic fuzzy sets},
\r
800 publisher = { Physica-Verlag},
\r
801 address = {Heidelberg, New York},
\r
805 @article{Atkinson1999,
\r
806 author = {Atkinson, A.C. and Cheng, T.-C.},
\r
807 title = {Computing least trimmed squares
\r
808 regression with the forward search},
\r
809 journal = {Statistics and Computing},
\r
815 author = {Atkinson, R, A. and Saudek, V.},
\r
816 title = {The direct determination of protein structure by NMR without assignment},
\r
817 journal = {FEBS Letters},
\r
821 abstract = {Assignment of the resonances in nuclear magnetic resonance spectra is considered a pre-requisite for the interpretation of spectra that yield structural information. The determination of the three-dimensional structure of a biological macromolecule may, however, be achieved directly without spectral assignment, using the same set of heteronuclear scalar and dipolar coupling experiments as normally used. A cross-peak in any of the spectra may be interpreted as a distance between atoms, yielding a set of distances between unassigned atoms that serves to define the tertiary structure of the molecule. The principle is illustrated using the 76 amino acid protein ubiquitin.},
\r
822 keywords = {journal
\r
823 Federation of European Biochemical Societies (FEBS)
\r
828 nuclear magnetic resonance (NMR)
\r
829 molecular structure
\r
830 nuclear Overhauser effect (NOE)},
\r
834 author = {Augspurger, J.D. and Scheraga, H.A.},
\r
835 title = {An efficient, differentiable hydration potential for peptides and proteins},
\r
836 journal = {J. Comput. Chem.},
\r
838 pages = {1549-1558},
\r
839 keywords = {solvation model
\r
840 solvent-accessible volume model
\r
841 reduced radius independent gaussian sphere (RRIGS) approximation},
\r
845 author = {Augspurger, J.D. and Scheraga, H.A.},
\r
846 title = {An assessment of the accuracy of the RRIGS hydration potential: comparison to solutions of the Poisson-Boltzmann equation},
\r
847 journal = {J. Comput. Chem.},
\r
849 pages = {1072-1078},
\r
850 keywords = {solvation model
\r
851 solvent-accessible volume model
\r
852 reduced radius independent gaussian sphere (RRIGS) approximation},
\r
856 @article{Aurenhammer1991_ACM,
\r
857 author = {Aurenhammer, F.},
\r
858 title = {Voronoi diagrams - a survey of a fundamental data structure},
\r
859 journal = {ACM Computing Surveys},
\r
865 author = {Auvin-Guette, C. and Baraguey, C. and Blond, A. and Xavier, H.S. and Pousset, J.L. and Bodo, B.},
\r
866 title = {Pohlianins A, B and C, cyclic peptides from the latex of Jatropha pohliana ssp molissima},
\r
867 journal = {Tetrahedron},
\r
870 pages = {11495-11510},
\r
871 abstract = {From the EtOAc extract of the latex of Jatropha pohliana (Euphorbiaceae), two cyclic heptapeptides, pohlianins A (1) and B (2) and one cyclic octapeptide, pohlianin C (3) were isolated by a multi-step chromatography procedure, including HPLC. Their structure were elucidated by chemical degradation, mass spectrometry, homonuclear and heteronuclear NMR experiments. Conformational analysis of these peptides was made by using NMR experiments and distance geometry calculations. Their antimalarial activities were examined.},
\r
872 keywords = {journal
\r
875 nuclear magnetic resonance (NMR)
\r
876 molecular modelling
\r
878 conformational analysis
\r
884 author = {Azencott, Robert},
\r
885 title = {Simulated annealing: parallelization techniques},
\r
886 publisher = {Wiley},
\r
887 address = {New York},
\r
889 edited by Robert Azencott.
\r
890 "A Wiley-Interscience publication."
\r
891 Includes bibliographical references and index.},
\r
892 keywords = {Simulated annealing (Mathematics)},
\r
896 author = {Babu, G. Phanendra and Murty, M. Narasimha and Keerthi, S. Sathiya},
\r
897 title = {A Stochastic Connectionist Approach for Global Optimization with Application to Pattern Clustering},
\r
898 journal = {IEEE Transactions on Systems, Man, and Cybernetics--Part B: Cybernetics},
\r
902 abstract = {In this paper, a stochastic connectionist approach is proposed for solving function optimization problems with real-valued parameters. With the assumption of increased processing capability of a node in the connectionist network, we show how a broader class of problems can be solved. As the proposed approach is a stochastic search technique, it avoids getting stuck in local optima. Robustness of the approach is demonstrated on several multi-modal functions with different numbers of variables. Optimization of a well-known partitional clustering criterion, the squared-error criterion (SEC), is formulated as a function optimization problem and is solved using the proposed approach. This approach is used to cluster selected data sets and the results obtained are compared with that of the K-means algorithm and a simulated annealing (SA) approach. The amenability of the connectionist approach to parallelization enables effective use of parallel hardware.
\r
903 Index Terms--Clustering, connectionist approaches, function optimization, global optimization.},
\r
904 keywords = {Clustering (Computers) Research
\r
905 Stochastic analysis Usage
\r
907 Simulated annealing (Mathematics) Analysis
\r
912 @article{Bader2004,
\r
913 author = {Bader, D.},
\r
914 title = {An improved, randomized algorithm for parallel selection with an experimental study},
\r
915 journal = {J. Parallel Distrib. Comput. },
\r
917 pages = {1051 - 1059},
\r
921 @article{Bagirov1999_jio,
\r
922 author = {Bagirov, A.},
\r
923 title = {Derivative-free methods for unconstrained nonsmooth optimization and its numerical analysis},
\r
924 journal = {Journal Investigacao Operacional},
\r
930 @incollection{Bagirov1999_inbook,
\r
931 author = {Bagirov, A.},
\r
932 title = {Minimization methods for one class of nonsmooth functions and calculation of semi-equilibrium prices},
\r
933 booktitle = {Progress in Optimization: Contribution from Australasia},
\r
934 editor = {Eberhard, A. et al.},
\r
935 publisher = {Kluwer},
\r
936 address = {Dordrecht},
\r
941 @article{Bagirov2002_oms,
\r
942 author = {Bagirov, A.},
\r
943 title = {A method for minimization of quasidifferentiable functions},
\r
944 journal = {Optimization Methods and Software},
\r
950 @article{Bagirov2003,
\r
951 author = {Bagirov, A.},
\r
952 title = {Continuous subdifferential approximations and their applications},
\r
953 journal = {Journal of Mathematical Sciences},
\r
955 pages = {2567-2609},
\r
959 @article{Bagirov2008_PR,
\r
960 author = {Bagirov, A.},
\r
961 title = {Modified global k-means algorithm for minimum sum-of-squares clustering problems},
\r
962 journal = {Pattern Recognition},
\r
964 pages = {3192-3199},
\r
968 author = {Bagirov, A.},
\r
969 title = {Continuous Approximations to Subdifferentials},
\r
970 booktitle = {Encyclopedia of Optimization },
\r
971 publisher = {Springer},
\r
972 address = {Heidelberg, Berlin, New York},
\r
976 @incollection{Bagirov2009_encyclopedia1,
\r
977 author = {Bagirov, A.},
\r
978 title = {Derivative-Free Methods for Non-smooth Optimization},
\r
979 booktitle = {Encyclopedia of Optimization },
\r
980 publisher = {Springer},
\r
981 address = {Heidelberg, Berlin, New York},
\r
985 @incollection{Bagirov2009_encyclopedia,
\r
986 author = {Bagirov, A. and Beliakov, G.},
\r
987 title = {Global Optimization: Cutting Angle Method},
\r
988 booktitle = {Encyclopedia of Optimization },
\r
989 publisher = {Springer},
\r
990 address = {Heidelberg, Berlin, New York},
\r
994 @article{Bagirov1995,
\r
995 author = {Bagirov, A. and Gasanov, A.},
\r
996 title = {A method of approximating a quasidifferential},
\r
997 journal = {Russian Journal of Computational Mathematics and Mathematical Physics},
\r
1003 @article{Bagirov2000_aor,
\r
1004 author = {Bagirov, A. and Rubinov, A.},
\r
1005 title = {Global minimization of increasing positively homogeneous function over the unit simplex},
\r
1006 journal = {Annals of Operations Research},
\r
1008 pages = {171-187},
\r
1012 @incollection{Bagirov2001_inbook,
\r
1013 author = {Bagirov, A. and Rubinov, A.},
\r
1014 title = {Modified versions of the cutting angle method},
\r
1015 booktitle = {Convex analysis and global optimization},
\r
1016 editor = {Hadjisavvas, N. and Pardalos, P.M.},
\r
1017 series = {Nonconvex optimization and its applications},
\r
1018 publisher = {Kluwer},
\r
1019 address = {Dordrecht},
\r
1021 pages = {245-268},
\r
1025 @incollection{Bagirov2003_inpress,
\r
1026 author = {Bagirov, A. and Rubinov, A.},
\r
1027 title = {On minimization of max-min functions},
\r
1028 booktitle = {Optimization and Control with Applications},
\r
1030 Teo, K. and Yang, X. Q. },
\r
1031 publisher = {Springer},
\r
1032 address = {Heidelberg, New-York},
\r
1036 @article{Bagirov2003_JGO,
\r
1037 author = {Bagirov, A. and Rubinov, A.M.},
\r
1038 title = {Cutting angle method and a local search},
\r
1039 journal = {Journal of Global Optimization},
\r
1041 pages = {193-213},
\r
1042 keywords = {global optimization
\r
1043 Cutting angle method
\r
1045 Lipschitz progamming
\r
1046 discrete gradient},
\r
1050 @article{Bagirov2003_TOP,
\r
1051 author = {Bagirov, A. and Rubinov, A.M. and Soukhoroukova, N. V. and Yearwood, J.L.},
\r
1052 title = {Unsupervised and supervised data classification via nonsmooth and global optimization},
\r
1053 journal = {TOP (Formerly Trabajos Investigación Operativa)},
\r
1059 @article{Bagirov2001_THIM,
\r
1060 author = {Bagirov, A. and Rubinov, A.M. and Yearwood, J.L.},
\r
1061 title = {Using global optimization to improve classification for medical diagnosis},
\r
1062 journal = {Topics in Health Information Management,},
\r
1068 @article{Bagirov2003_OE,
\r
1069 author = {Bagirov, A. and Rubinov, A.M. and Yearwood, J.L.},
\r
1070 title = {A global optimization approach to classification},
\r
1071 journal = {Optimization and Engineering},
\r
1073 pages = {129-155},
\r
1077 @article{Bagirov2006_EJOR,
\r
1078 author = {Bagirov, A. and Yearwood, J.},
\r
1079 title = {A new nonsmooth optimization algorithm for minimum sum-of-squares clustering problems},
\r
1080 journal = {Europ. J. Operations Research},
\r
1082 pages = {578-596 },
\r
1086 @incollection{Bagirov2000_inbook,
\r
1087 author = {Bagirov, A. M.},
\r
1088 title = {Numerical methods for minimizing quasidifferentiable functions: A survey and comparison},
\r
1089 booktitle = {Quasidifferentiability and Related Topics},
\r
1090 editor = {Demyanov, V.F and Rubinov, A.M.},
\r
1092 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
1093 Reprint available from: Bagirov AM Univ Ballarat, Sch Informat Technol and Math Sci Ballarat Vic 3353 Australia Univ Ballarat, Sch Informat Technol and Math Sci Ballarat Vic 3353 Australia 0002},
\r
1094 keywords = {Subdifferential. Quasidifferential. Codifferential. Continuous
\r
1095 approximation. Descent direction.
\r
1097 Current Book Contents in Current Contents(R)/Physical, Chemical and Earth
\r
1100 Reprint available from: Bagirov AM. Univ Ballarat, Sch Informat Technol and
\r
1101 Math Sci, Ballarat, Vic 3353, Australia.},
\r
1105 @article{Bakhvalov1971,
\r
1106 author = {Bakhvalov, N.S. },
\r
1107 title = {On the optimality of linear methods for operator approximation in convex classes of functions},
\r
1108 journal = {U.S.S.R. Comput. Math. and Math. Phys.},
\r
1110 pages = {244-249},
\r
1114 @article{Calvo2008_lever,
\r
1115 author = {Ballester, M.A. and Calvo, T.},
\r
1116 title = {Lever aggregation operators},
\r
1117 journal = {Submitted for publication},
\r
1121 @article{Banerjee2005_TIT,
\r
1122 author = {Banerjee, A. and Guo, X. and Wang, H.},
\r
1123 title = {On the Optimality of Conditional Expectation as a {B}regman Predictor},
\r
1124 journal = {IEEE Trans. on Information Theory},
\r
1126 pages = {2664-2669},
\r
1130 @article{Banks1987_peptides,
\r
1131 author = {Banks, W. A. and Kastin , A. J. and Michals, E. A.},
\r
1132 title = {Tyr-MIF-1 and met-enkephalin share a saturable blood-brain barrier transport system},
\r
1133 journal = {Peptides},
\r
1135 pages = {899-903},
\r
1139 @article{Banzhaf-65,
\r
1140 author = {Banzhaf, J.F. },
\r
1141 title = {Weight voting doesn't work: {A} mathematical analysis},
\r
1142 journal = {Rutgers Law Review},
\r
1144 pages = {317-343},
\r
1148 @article{Barber1996_ACM,
\r
1149 author = {Barber, C. B. and Dobkin, D.P. and Huhdanpaa, H.P.},
\r
1150 title = {The quickhull algorithm for convex hulls},
\r
1151 journal = {ACM Trans. Math. Software},
\r
1153 pages = {469--483},
\r
1158 author = {Barbut, M.},
\r
1159 title = {M\'ediane, distribuitivit\'e, \'eloighements},
\r
1160 journal = {Math\'ematiques et sciences humaines},
\r
1166 author = {Barhen, J. and Protopopescu, V. and Reister, D.},
\r
1167 title = {Trust - a Deterministic Algorithm for Global Optimization},
\r
1168 journal = {Science},
\r
1171 pages = {1094-1097},
\r
1172 note = {Current Contents/Physical, Chemical and Earth Sciences Current Contents/Life Sciences Current Contents/Agriculture, Biology and Environmental Sciences
\r
1173 Reprint available from: Barhen J OAK RIDGE NATL LAB CTR ENGN SYST ADV RES OAK RIDGE, TN 37831 USA},
\r
1174 abstract = {An approach to solving continuous global optimization problems was developed. It builds on two innovative concepts, subenergy tunneling and non-Lipschitzian terminal repellers, to ensure escape from local minima in a fast, reliable, and computationally efficient manner. The generally applicable methodology is embodied in the TRUST (terminal repeller unconstrained subenergy tunneling) algorithm, which is deterministic, scalable, and easy to implement. Benchmark results show that TRUST is faster and more accurate than previously reported global optimization techniques. An application of TRUST to a large-scale exploratory seismology problem of substantial computational complexity (that is, residual statics corrections) is also reported. [References: 27]},
\r
1175 keywords = {Approximation. Statics.
\r
1176 Multidisciplinary. Multidisciplinary. Multidisciplinary.},
\r
1180 @article{Barndorff1977,
\r
1181 author = {Barndorff-Nielsen, O. E.},
\r
1182 title = {Exponentially decreasing distributions for the logarithm of particle size},
\r
1183 journal = {Proc. R. Soc. London A},
\r
1185 pages = {401-419},
\r
1189 author = {Barnett, N.W. and Bos, R. and Brand, H. and Jones, P. and Lim, K.F. and Purcell, S.D. and Russell, R.A.},
\r
1190 title = {Synthesis and preliminary analytical evaluation of the chemiluminescence from (4-[4-(dichloromethylsilanyl)-butyl]-4’-methyl-2,2’-bipyridine)bis(2,2’-bipyridyl) ruthenium(II) covalently bonded to silica particles},
\r
1191 journal = {Analyst},
\r
1194 pages = {455-458},
\r
1195 abstract = {This paper describes, for the first time, a simple and effective synthetic route for covalently bonding the chemiluminescence reagent, (4-[4-(dichloromethylsilanyl)-butyl]-4'-methyl-2,2'-bipyridyl)bis(2,2'-bipyridyl)ruthenium(III) onto silica particles. The subsequent preparation of chemically regeneratable detection cells and their preliminary analytical evaluation with both sequential injection analysis and flow injection analysis are also reported. Unoptimised analytical figures of merit were established for standard solutions of codeine and sodium oxalate with detection limits calculated from three times the standard deviation of the blank signal, of 1 ¥ 10-8 M and 3 ¥ 10-7 M respectively. The chemically immobilised reagent exhibited some intriguing solvent and kinetic effects, which are also briefly discussed.},
\r
1196 keywords = {journal
\r
1199 chemiluminescence (CL)
\r
1200 tris(2,2'-bipyridyl)ruthenium(III); Ru(bipy)32+
\r
1201 chemical immobilisation
\r
1206 author = {Barnett, N.W. and Bos, R. and Russell, R.A. and Lewis, S.W.},
\r
1207 title = {Rational design and preliminary analytical evaluation of two novel oxamide reagents for aqueous peroxyoxalate chemiluminescence},
\r
1208 journal = {Analyst},
\r
1211 pages = {1239-1245},
\r
1212 abstract = {The synthesis, characterisation and preliminary analytical evaluation of a novel class of aqueous peroxyoxalate chemiluminescence reagents are described. The two oxamide reagents described incorporate the most desirable features associated with these types of compound, namely, good reactivity and no measurable background emission with analytically useful aqueous solubility. Sequential injection analysis was employed to evaluate the stability characteristics and analytical figures of merit for these compounds. The analytical performances of the new oxamides were assessed using the fluorophore rhodamine B, which realised non-linear calibration functions and detection limits in the range from 1 x 10(-7) to 5 x 10(-7) M, The non-sulfonated analogues of the two oxamides were also prepared and their performances compared favourably with that of bis (2,4,6-trichlorophenyl) oxalate, During the latter experiments, the calibrations more closely approached linearity with detection limits in the range from 9 x 10(-8) to 5 x 10(-7) M, Although the development of the novel class of oxamide reagent presented here has not yet realised its full potential, it is felt that this work represents a significant step forward in the development of truly aqueous peroxyoxalate chemiluminescence.},
\r
1213 keywords = {Aqueous peroxyoxalate chemiluminescene
\r
1215 Sequential injection analysis
\r
1216 Chemiluminescence detection
\r
1217 In-process streams
\r
1218 Liquid-chromatography
\r
1220 Background emission
\r
1221 Bis(2,4-dinitrophenyl) oxalate
\r
1222 Injection-analysis
\r
1228 author = {Barnett, N.W. and Francis, P.S. and Lewis, S.W. and Lim, K.F.},
\r
1229 title = {Determination of a,4-dihydroxy-3-methoxybenzeneacetic acid (vanilmandelic acid) by flow injection analysis coupled with luminol-hexacyanoferrate(III) chemiluminescence},
\r
1230 journal = {Anal. Comm.},
\r
1233 pages = {131-134},
\r
1234 keywords = {journal
\r
1235 a,4-dihydroxy-3-methoxybenzeneacetic acid; vanilmandelic acid; VMA
\r
1236 flow injection analysis (FIA)
\r
1237 hexacyanoferrate(III); Fe(CN)63–
\r
1239 chemiluminescence (CL)},
\r
1243 author = {Barnett, N.W. and Hindson, B. J. and Lewis, S. W. and Purcell, S. D. and Jones, P.},
\r
1244 title = {Preparation and preliminary evaluation of anhydrous tris(2,2'-bipyridyl)ruthenium(III) perchlorate as a temporally stable reagent for analytical chemiluminescence},
\r
1245 journal = {Anal. Chim. Acta},
\r
1249 abstract = {A new method for producing solutions of tris(2,2'-bipyridyl)ruthenium(III) ([Ru(bipy)3]3+) which have significantly improved stability over other methods is presented and preliminary analytical evaluation of the reagent for chemiluminescence is reported. The synthesis of anhydrous tris(2,2'-bipyridyl)ruthenium(III) perchlorate ([Ru(bipy)3](ClO4)3) salt is described and the use of acetonitrile as solvent to minimise the presence of water which can be oxidised by [Ru(bipy)3]3+, which causes the inherent instability. The stability of the new reagent in acetonitrile was monitored spectrophotometrically (max~674nm) and a decrease of <6% was observed. A flow injection analysis experiment was conducted using codeine to generate chemiluminescence to quantify the stability of the new reagent over 50h. The results show a decrease in the chemiluminescence signal of
\r
1250 <8%, which is a considerable improvement over previous methods.},
\r
1251 keywords = {journal
\r
1252 Anhydrous tris(2,2'-bipyridyl)ruthenium(III) perchlorate
\r
1254 chemiluminescence (CL)},
\r
1258 @article{Barral1938,
\r
1259 author = {Barral Souto, J.},
\r
1260 title = {El modo y otras medias, casos particulares de una misma expresion matematica},
\r
1261 journal = {Boletin Matematico},
\r
1267 @inproceedings{Barrientos2010_conf,
\r
1268 author = {Barrientos, R.J. and Gomez, J.I. and Tenllado, C. and Prieto, M.},
\r
1269 title = {Heap Based k-Nearest Neighbor Searh on GPUs},
\r
1270 booktitle = {Congreso Espanol de Informatica},
\r
1271 address = {Valencia, Spain},
\r
1272 volume = {in press},
\r
1276 @article{Barrodale:1980:ASC,
\r
1277 author = {Barrodale, I. and Roberts, F.D.K.},
\r
1278 title = {Algorithm 552: Solution of the constrained l_1 linear approximation problem},
\r
1279 journal = {ACM Trans. Math. Software},
\r
1281 pages = {231-235},
\r
1285 @book{Basu2009_book,
\r
1286 author = {Basu, S. and Davidson, I. and Wagstaff, K.L.},
\r
1287 title = {Constrained clustering : advances in algorithms, theory, and applications},
\r
1288 publisher = {CRC Press},
\r
1289 address = {Boca Raton},
\r
1293 author = {Batten, L.M.},
\r
1294 title = {Embedding d-partition geometries in generalized projective space},
\r
1295 journal = {Geometriae Dedicata},
\r
1297 pages = {163-174},
\r
1301 author = {Batten, L.M.},
\r
1302 title = {Jordan-Dedekind spaces},
\r
1303 journal = {Quarterly Journal, Oxford},
\r
1305 pages = {373-381},
\r
1309 author = {Batten, L.M.},
\r
1310 title = {Rank functions of closure spaces of finite rank},
\r
1311 journal = {Discrete Mathematics},
\r
1313 pages = {113-116},
\r
1314 keywords = {journal},
\r
1318 @article{Batten2002_jgo,
\r
1319 author = {Batten, L.M. and Beliakov, G.},
\r
1320 title = {Fast algorithm for the cutting angle method of global optimization},
\r
1321 journal = {Journal of Global Optimization},
\r
1323 pages = {149-161},
\r
1327 @inproceedings{Batten2002_cpc,
\r
1328 author = {Batten, L.M. and Beliakov, G. and Lim, K.F.},
\r
1329 title = {A new method of deterministic global optimisation: Applications to geometry optimisation},
\r
1330 booktitle = {Conference on Physical Chemistry},
\r
1331 address = {Christchurch, New Zealand},
\r
1332 abstract = {The ability to predict molecular geometries has important applications in chemistry, for example, the areas of protein-structure elucidation, the investigation of host-guest interactions, and the identification of "entropic bottlenecks" (sterically-hindered transition states). In all of these areas, one needs to find the molecular geometry, which minimises the molecular energy.
\r
1333 We present a deterministic global optimisation technique based on the "cutting angle" method. This method produces a series of "auxiliary function" surfaces, each of which has a known global minimum, and is a lower bound to the potential-energy surface. Since this series of auxiliary functions is monotonically-increasing, our new method finds the potential-energy global minimum from "below". In contrast, existing methods, such as Monte Carlo, simulated annealling, simplex, steepest descent, find a large and/or deep potential-energy minimum from "above": this is not always the global minimum!
\r
1334 We present an application of our new deterministic global optimisation technique to the geometry optimisation of a number of molecules, using the ECEPP/3 potential-energy surface. The global minimum is found more accurately or more quickly than with existing methods.
\r
1335 This deterministic global optimisation technique can also be used to optimise the number and location of the clusters in chemometric cluster analysis, or other chemical problems involving global minimisation or maximisation.},
\r
1336 keywords = {Royal Australian Chemical Institute (RACI)
\r
1337 Royal Society of Chemistry (RSC)
\r
1338 New Zealand Institute of Chemistry (NZIC)},
\r
1342 author = {Batten, L.M. and Bohun, C.S. and Bona, A. and Cheng, K. and Doman, T. and Drew, J. and Edwards, R. and Kutay, S. and Laflamme, C. and McCrea, D. and Myrvold, W. and Ruskey, F. and Sawada, J. and van der Driessche, P. and Vander Kloet, J. and Wood, K.L.B.},
\r
1343 title = {Classification of chemical compound pharmacophore structures},
\r
1344 booktitle = {Technical Report, PIMS Industrial Workshop},
\r
1345 keywords = {distance geometry},
\r
1349 author = {Baty, F.
\r
1350 Jaeger, D. and Preiswerk, F. and Schumacher, M.M. and Brutsche, M.H.},
\r
1351 title = {Stability of gene contributions and identification of outliers in multivariate analysis of microarray data},
\r
1352 journal = {BMC Bioinformatics},
\r
1354 pages = {289-295},
\r
1358 @article{Batyrshin1999_TFS,
\r
1359 author = {Batyrshin, I. and Kaynak, O.},
\r
1360 title = {Parametric classes of generalized conjunction and disjunction operators for fuzzy modeling},
\r
1361 journal = {IEEE Trans. on Fuzzy Systems},
\r
1363 pages = {586-596},
\r
1367 @article{Bauer2000_JEB,
\r
1368 author = {Bauer, C.},
\r
1369 title = {Value at Risk using hyperbolic distributions},
\r
1370 journal = {J. of Economics and Business},
\r
1372 pages = {455-467},
\r
1376 @article{BeatWol1989,
\r
1377 author = {Beatson, R.K. and Wolkowicz, H.},
\r
1378 title = {Post-Processing Piecewise Cubics for Monotonicity},
\r
1379 journal = {SIAM Journal on Numerical Analysis},
\r
1382 pages = {480-502},
\r
1383 abstract = {Monotone interpolation schemes of the fit and modify type are considered. Algorithms with optimal order error properties are developed. Numerical examples are given comparing these methods with others. The theoretical underpinnings of the algorithms include sufficient conditions for the existence of monotone splines with specified error and smoothness properties, and a result concerning approximate projections onto convex sets.},
\r
1387 @article{Beatson1985_SIAM,
\r
1388 author = {Beatson, R.K. and Ziegler, Z.},
\r
1389 title = {Monotonicity preserving surface interpolation},
\r
1390 journal = {SIAM J. Numer. Anal.},
\r
1392 pages = {401-411},
\r
1396 author = {Beckmann, J. and Dakternieks, D. and Lim, A.E.K. and Lim, K.F. and Jurkschat, K.},
\r
1397 title = {The origin of ring strain and conformational flexibility in tri- and tetrasiloxane rings and their heavier group 14 congeners},
\r
1398 booktitle = {Organosilicon Chemistry VI: From Molecules to Materials},
\r
1399 editor = {Auner, N. and Weis, J.},
\r
1400 publisher = {Wiley},
\r
1401 pages = {252-258},
\r
1405 tetrasiloxane ring},
\r
1409 author = {Beckmann, J. and Dakternieks, D. and Lim, A.E.K. and Lim, K.F. and Jurkschat, K.},
\r
1410 title = {Understanding ring strain and ring flexibility in six- and eight-cyclic organometallic group 14 oxides},
\r
1411 journal = {Journal of Molecular Structure: Theochem},
\r
1414 pages = {177-193},
\r
1415 abstract = {A simple model was developed for the approximation of ring strain energies of homo- and heterometallic, six- and eight-membered cyclic organometallic group 14 oxides and the degree of puckering of their ring conformations. The conformational energy of a ring is modelled as the sum of its angular strain components. The bending potential energy functions for the various endocyclic M–O–M0 and O–M–O linkages (M= Si, Ge, Sn) were calculated at the B3LYP/(v)TZ level of theory using H3MOM0H3 and H2M(OH)2 as model compounds. For the six-membered rings, the minimum total angular contribution to ring strain, ERSGmin was calculated to decrease in the order: cyclo-(H2SiO)3 (13.0 kJ molK1)O cyclo-H2Sn(OSiH2)2O (7.0 kJ molK1)Ocyclo-H2Ge(OSiH2)2O (4.9kJmolK1)Ocyclo-H2Si(OSnH2)2O (3.4 kJ molK1)Ocyclo-(H2SnO)3 (1.7 kJ molK1)Ocyclo-H2Si(OGeH2)2O (0.8 kJ molK1)zcyclo-H2Ge(OSnH2)2O (0.7 kJ molK1)Ocyclo-H2Sn(OGeH2)2O (0.1kJmolK 1)zcyclo-(H2GeO)3 (0 kJ molK1). All of the six-membered rings were predicted to adopt (nearly) planar conformations (aZ0.996–1). By contrast, all eight-membered rings were predicted to adopt strainless, but puckered conformations. The degree of puckering was predicted to increase in the order: cyclo-(H2SiO)4 (aZ0.983)!cyclo-H2Sn(OSiH2O)2SiH2 (aZ0.959)!cyclo-(H2SiO)2(H2SnO)2 (aZ0.942)! cyclo-H2Si(OSnH2O)2SiH2 (aZ0.935)!cyclo-(H2SnO)4 (aZ0.916)!cyclo-(H2GeO)4 (aZ0.885). The differences in ring strain and the degree of puckering were linked to the different electronegativities of Si, Ge and Sn. The results obtained are consistent with experimental ring strain energies; reactivities towards ring opening polymerizations or ring expansion reactions and observed ring conformations of cyclic organometallic group 14 oxides.},
\r
1416 keywords = {organometallic
\r
1421 cyclo-stannasiloxanes
\r
1424 density-functional theory
\r
1428 X-ray crystallography
\r
1429 solid-state polymerization
\r
1430 large-amplitude motions
\r
1431 molecular structure
\r
1433 diphenylsiloxane oligomers
\r
1434 cationic polymerization
\r
1435 dimethylgermanium oxide
\r
1436 mesomorphic behavior
\r
1437 electron-density},
\r
1441 author = {Beckmann, J. and Jurkschat, K. and Schürmann, M. and Dakternieks, D. and Lim, A.E.K. and Lim, K.F.},
\r
1442 title = {Comparison of the flexibility of eight-membered tetrasiloxane and stannasiloxane rings: A crystallographic and computational study},
\r
1443 journal = {Organometallics},
\r
1446 pages = {5125-5133},
\r
1447 note = {manuscript OM010620O},
\r
1448 abstract = {The syntheses and crystal structures of the eight-membered cyclo-stannasiloxanes cyclo-[t-Bu(OH)Si(OSnt-Bu2O)2Si(OH)t-Bu] (1) and cyclo-{t-Bu2Si[OSn(CH2SiMe3)2O]2Sit-Bu2} (2) as well as the synthesis of the six-membered cyclo-stannasiloxane cyclo-{t-Bu2Si[OSn(CH2SiMe3)2]2O} (3) are reported. Compound 1 crystallizes as its trans isomer, but the cis isomer dominates in solution. In agreement with the experimentally obtained results, ab initio and DFT calculations on the model compounds cyclo-(H2SiO)4 (4), cyclo-[H2Si(OSnH2)OSiH2] (5), cyclo-O(H2SiOSnH2)2O (6), and cyclo-[H2Si(OSiH2)OSnH2] (7) indicate that the energetic preference to adopt puckered structures increases and the ring flexibility decreases with an increasing number of tin atoms in the ring. The rich diversity of puckered conformations is attributed to the steric demand of the different organic substituents.},
\r
1449 keywords = {journal
\r
1452 crystal-structure},
\r
1456 @incollection{Bedregal2012_inbook,
\r
1457 author = {Bedregal, Benjamín and Beliakov, Gleb and Bustince, Humberto and Calvo, Tomasa and Fernández, Javier and Mesiar, Radko},
\r
1458 title = {A Characterization Theorem for t-Representable n-Dimensional Triangular Norms},
\r
1459 booktitle = {Advances in Intelligent and Soft Computing},
\r
1460 editor = {Melo-Pinto, Pedro and Couto, Pedro and Serôdio, Carlos and Fodor, János and De Baets, Bernard},
\r
1461 series = {Advances in Intelligent and Soft Computing},
\r
1462 publisher = {Springer},
\r
1463 address = { Berlin / Heidelberg},
\r
1465 pages = {103-112},
\r
1469 @article{Bedregal2012_IS,
\r
1470 author = {Bedregal, Benjamín and Beliakov, Gleb and Bustince, Humberto and Calvo, Tomasa and Mesiar, Radko and Paternain, Daniel},
\r
1471 title = {A class of fuzzy multisets with a fixed number of memberships},
\r
1472 journal = {Information Sciences},
\r
1475 keywords = {Fuzzy multisets
\r
1476 n-Dimensional fuzzy sets
\r
1477 Atanassov operators
\r
1479 n-Dimensional aggregation functions
\r
1480 n-Dimensional negation},
\r
1484 @article{Behforooz1989,
\r
1485 author = {Behforooz, G.},
\r
1486 title = {End conditions for cubic spline interpolation derived from integration},
\r
1487 journal = {Applied Mathematics and Computation},
\r
1490 pages = {231-244},
\r
1494 @article{Beliakov1994-ao,
\r
1495 author = {Beliakov, G.},
\r
1496 title = {Reconstruction of Optical Characteristics of Waveguide Lenses by the Use of Ray Tracing},
\r
1497 journal = {Applied Optics},
\r
1500 pages = {3401-3404},
\r
1501 note = {Current Contents/Physical, Chemical and Earth Sciences Current Contents/Engineering, Technology and Applied Sciences.
\r
1502 Reprint available from: Beliakov G UNIV LOS ANDES DEPT MATEMAT SANTAFE COLOMBIA RUSSIAN PEOPLES FRIENDSHIP UNIV MOSCOW RUSSIA 0014},
\r
1503 abstract = {A method that uses the data of my tracing for optical waveguide tens diagnostics is described. This method permits a direct reconstruction of the optical characteristics of a waveguide without the optical or the physical thickness being measured. Conditions are determined for the mathematical problem of diagnostics by ray tracing to have a unique solution, and a technique to obtain a numerical solution from noisy experimental data is described. [References: 12] 12},
\r
1504 keywords = {Optical waveguide. Waveguide lens. Waveguide diagnostics. Ray tracing.
\r
1505 Index focusing elements. Luneburg lenses. Symmetry.
\r
1506 Applied physics/condensed matter
\r
1507 Optics and acoustics.
\r
1508 Reprint available from: Beliakov G. UNIV LOS ANDES, DEPT MATEMAT,
\r
1509 SANTAFE, COLOMBIA.},
\r
1513 @article{Beliakov1996_is,
\r
1514 author = {Beliakov, G.},
\r
1515 title = {Fuzzy Sets and Membership Functions Based on Probabilities},
\r
1516 journal = {Information Sciences},
\r
1520 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
1521 Reprint available from: Beliakov G UNIV MELBOURNE DEPT MATH MELBOURNE VIC AUSTRALIA 0006},
\r
1522 abstract = {Since the introduction of fuzzy set theory in 1965, several attempts to establish the relationship between the grades of membership and the classical probability measures have been made. It turns out that there are different sources of fuzziness that must be dealt with differently. In the present paper we examine in detail two types of fuzziness, namely, the fuzziness due to classification in an under- or overdimensioned universe and the fuzziness due to the intersubject differences in opinion. For the former case the membership function is defined to be equal to the normalized distance from the point to the boundary of the set in a specific metric. It is shown that this definition of the membership function is fully consistent with the max-min operations for the union/intersection; however, the membership function of the complement is defined differently from the usual ''one minus'' rule. The fuzziness due to the intersubject differences turns out to be a simple averaging process, and the explicit formulas for this case were derived. Several examples that illustrate the notions of fuzzy intervals and fuzzy numbers are given and the interpretations of the derived membership curves are presented. The formulas for calculation of the membership function of a sum of fuzzy numbers and of a product of fuzzy numbers times a constant are derived. An extended definition of the measure of fuzziness is presented and applied to the defined membership functions. [References: 14] 14},
\r
1523 keywords = {2-valued logic.
\r
1524 Information technology and communications systems.
\r
1525 Reprint available from: Beliakov G. UNIV MELBOURNE, DEPT MATH, MELBOURNE,
\r
1530 @article{Beliakov1996_ao,
\r
1531 author = {Beliakov, G.},
\r
1532 title = {Numerical Evaluation of the Luneburg Integral and Ray Tracing},
\r
1533 journal = {Applied Optics},
\r
1536 pages = {1011-1014},
\r
1537 note = {Current Contents/Physical, Chemical and Earth Sciences Current Contents/Engineering, Technology and Applied Sciences.
\r
1538 Reprint available from: Beliakov G UNIV MELBOURNE DEPT MATH MELBOURNE VIC AUSTRALIA 0001},
\r
1539 abstract = {The Luneburg integral has many applications in optics and optoelectronics, among which is determination of the refractive-index profile of a Luneburg lens with a full or nonfull aperture. Consequently, computationally efficient and accurate methods for evaluating this integral represent an important challenge. An alternative approach to numerical evaluation of the Luneburg integral that is five times faster than existing methods is described. Several improvements in the ray-tracing procedure in gradient-index media are also presented. A combination of these methods increases the speed of ray tracing through the generalized Luneburg lens by as many as 2 orders of magnitude compared with earlier algorithms. The precision of our method can be easily controlled. (C) 1996 Optical Society of America [References: 15] 15},
\r
1540 keywords = {Luneburg integral. Luneburg lens. Ray tracing. Numerical integration.
\r
1542 Index profiles. Lenses. Improvements. Computation.
\r
1543 Applied physics/condensed matter/materials science
\r
1544 Optics and acoustics.
\r
1545 Reprint available from: Beliakov G. UNIV MELBOURNE, DEPT MATH, MELBOURNE,
\r
1550 @inproceedings{Beliakov2000_ipmu,
\r
1551 author = {Beliakov, G.},
\r
1552 title = {Approximation of aggregation operators using splines},
\r
1553 booktitle = {IPMU 2000},
\r
1554 address = {Madrid},
\r
1555 pages = {680-685},
\r
1559 @article{Beliakov2000_fss,
\r
1560 author = {Beliakov, G.},
\r
1561 title = {Definition of general aggregation operators through similarity relations},
\r
1562 journal = {Fuzzy Sets and Systems},
\r
1565 pages = {437-453},
\r
1566 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
1567 Reprint available from: Beliakov G Univ S Australia, Sch Comp and Informat Sci Warrendi Rd The Levels SA 5095 Australia Univ S Australia, Sch Comp and Informat Sci The Levels SA 5095 Australia 0009 Fuzzy Sets Syst},
\r
1568 abstract = {Various extensions of the original max and min aggregation operators in fuzzy set theory are successfully used in practical applications, but lack a clear conceptual model supporting them. Giving these operators a meaningful and simple interpretation is the topic of this paper. Aggregation operators are seen as different methods to measure distances to the essential reference points of the feature space, called Ideals. It has been proved that every general aggregation operator can be associated with a corresponding metric, in which the result of its application is the distance to the Ideal. Some widely used operators correspond to familiar l - p norms, and new operators can be defined by specifying different metrics. Heterogeneous combinations of ANDs and ORs are treated in such a way that the distributivity and De Morgan's laws hold. Applications to fuzzy constraint satisfaction problem and fuzzy control are discussed and interpreted geometrically. Classical operators are particular cases of the proposed semantic model, and several other examples are given. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 46] 46},
\r
1569 keywords = {Fuzzy sets. Operators. Relations. Multicriteria analysis.
\r
1571 Fuzzy-logic. Membership. Controller. Design. Model.
\r
1572 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
1575 Reprint available from: Beliakov G. Univ S Australia, Sch Comp and Informat
\r
1576 Sci, Warrendi Rd, The Levels, SA 5095.},
\r
1580 @inproceedings{Beliakov2000_pricai,
\r
1581 author = {Beliakov, G.},
\r
1582 title = {Method of Ideal solution in fuzzy set theory and multicriteria decision making},
\r
1583 booktitle = {PRICAI 2000},
\r
1584 series = {Lecture Notes in Computer Science},
\r
1585 address = {Melbourne},
\r
1586 publisher = {Springer},
\r
1591 @inproceedings{Beliakov2000_fusion,
\r
1592 author = {Beliakov, G.},
\r
1593 title = {Numerical Construction of Membership Functions and Aggregation Operators from Empirical Data},
\r
1594 booktitle = {FUSION 2000},
\r
1595 address = {Paris},
\r
1600 @article{Beliakov2000_ata,
\r
1601 author = {Beliakov, G.},
\r
1602 title = {Shape preserving approximation using least squares splines},
\r
1603 journal = {Approximation Theory and Applications},
\r
1609 @inproceedings{Beliakov2001_fuzzieee,
\r
1610 author = {Beliakov, G.},
\r
1611 title = {Fuzzy clustering of non-convex patterns using global optimisation},
\r
1612 booktitle = {FUZZ-IEEE},
\r
1613 address = {Melbourne},
\r
1617 @inproceedings{Beliakov2001_icota1,
\r
1618 author = {Beliakov, G.},
\r
1619 title = {Fuzzy clustering using global optimization},
\r
1620 booktitle = {5th International Conference on Optimization: Techniques and Applications},
\r
1621 address = {Hong Kong},
\r
1627 @inproceedings{Beliakov2001_fuzzieee2,
\r
1628 author = {Beliakov, G.},
\r
1629 title = {Methods of construction of OWA operators from data},
\r
1630 booktitle = {10th IEEE International Conference on Fuzzy Systems},
\r
1631 address = {Melbourne},
\r
1635 @article{Beliakov2001_fss,
\r
1636 author = {Beliakov, G.},
\r
1637 title = {Shape preserving splines in constructing WOWA operators: Comment on paper by V. Torra in Fuzzy Sets and Systems 113 (2000) 389-396},
\r
1638 journal = {Fuzzy Sets and Systems},
\r
1641 pages = {549-550},
\r
1642 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
1643 Reprint available from: Beliakov G Deakin Univ, Fac Sci and Technol, Sch Comp and Math 662 Blackburn Rd Clayton Vic 3168 Australia Deakin Univ, Fac Sci and Technol, Sch Comp and Math Clayton Vic 3168 Australia 0014 Fuzzy Sets Syst},
\r
1644 keywords = {Quadratic spline. Interpolation.
\r
1646 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
1652 @incollection{Beliakov2002_springervol,
\r
1653 author = {Beliakov, G.},
\r
1654 title = {Approximation of membership functions and aggregation operators using splines},
\r
1655 booktitle = {Technologies for constructing intelligent systems},
\r
1656 editor = {Bouchon-Meunier, B. and Gutierrez-Rios and Magdalena, L. and Yager, R.},
\r
1657 publisher = {Springer},
\r
1658 address = {Berlin},
\r
1660 pages = {159-172},
\r
1664 @inproceedings{Beliakov2002_ipmu2,
\r
1665 author = {Beliakov, G.},
\r
1666 title = {Global Optimization of Neural Networks},
\r
1667 booktitle = {IPMU2002},
\r
1668 address = {Annecy},
\r
1669 pages = {719-725},
\r
1673 @article{Beliakov2002_ijfks,
\r
1674 author = {Beliakov, G.},
\r
1675 title = {Monotone approximation of aggregation operators using least squares splines},
\r
1676 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
1678 pages = {659-676},
\r
1682 @inproceedings{Beliakov2002_ipmu1,
\r
1683 author = {Beliakov, G.},
\r
1684 title = {Three new techniques of approximating aggregation operators from empirical data},
\r
1685 booktitle = {IPMU2002},
\r
1686 address = {Annecy},
\r
1688 pages = {945-952},
\r
1692 @article{Beliakov2003_geom,
\r
1693 author = {Beliakov, G.},
\r
1694 title = {Geometry and combinatorics of the cutting angle method},
\r
1695 journal = {Optimization},
\r
1698 pages = {379-394},
\r
1702 @article{Beliakov2003_IntSys,
\r
1703 author = {Beliakov, G.},
\r
1704 title = {How to build aggregation operators from data?},
\r
1705 journal = {Int. J. Intelligent Systems},
\r
1707 pages = {903-923},
\r
1711 @article{Beliakov2004_oms,
\r
1712 author = {Beliakov, G.},
\r
1713 title = {The Cutting Angle Method - a tool for constrained global optimization},
\r
1714 journal = {Optimization Methods and Software},
\r
1716 pages = {137-151},
\r
1720 @article{Beliakov2003_amc,
\r
1721 author = {Beliakov, G.},
\r
1722 title = {Least squares splines with free knots: global optimization approach},
\r
1723 journal = {Applied Mathematics and Computation},
\r
1725 pages = {783-798},
\r
1729 @article{Beliakov2005_CPC,
\r
1730 author = {Beliakov, G.},
\r
1731 title = {Class library ranlip for multivariate nonuniform random variate generation},
\r
1732 journal = {Computer Physics Communications},
\r
1738 @incollection{Beliakov2004_involume,
\r
1739 author = {Beliakov, G},
\r
1740 title = {Extended Cutting Angle method of constrained global optimization},
\r
1741 booktitle = {Optimisation in Industry},
\r
1742 editor = {Caccetta, L.},
\r
1743 publisher = {Kluwer},
\r
1744 address = {Dordrecht},
\r
1749 @incollection{Beliakov2005_invol_tnorm,
\r
1750 author = {Beliakov, G.},
\r
1751 title = {Fitting triangular norms to empirical data},
\r
1752 booktitle = {Logical, Algebraic, Analytic, and Probabilistic Aspects of Triangular Norms},
\r
1753 editor = {Klement, E.P. and Mesiar, R.},
\r
1754 publisher = {Elsevier},
\r
1755 address = {New York},
\r
1756 pages = {255-265},
\r
1760 @inproceedings{Beliakov2005_IASTED2,
\r
1761 author = {Beliakov, G.},
\r
1762 title = {Identification of general aggregation operators by Lipschitz approximation},
\r
1763 booktitle = {The IASTED Intl. Conf. on Artificial Intelligence and Applications},
\r
1764 editor = {Hamza, M.H.},
\r
1765 address = {Innsbruck, Austria},
\r
1766 publisher = {ACTA Press},
\r
1767 pages = {230-233},
\r
1771 @article{Beliakov2005_FODM,
\r
1772 author = {Beliakov, G.},
\r
1773 title = {Learning weights in the generalized OWA operators},
\r
1774 journal = {Fuzzy Optimization and Decision Making},
\r
1776 pages = {119-130},
\r
1780 @article{Beliakov2006_BIT,
\r
1781 author = {Beliakov, G.},
\r
1782 title = {Monotonicity preserving approximation of multivariate scattered data},
\r
1785 pages = {653-677},
\r
1789 @article{Beliakov2005_IJUFKS,
\r
1790 author = {Beliakov, G.},
\r
1791 title = {Pointwise construction of Lipschitz aggregation operators. Part I -- Construction methods},
\r
1792 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
1793 volume = {submitted},
\r
1797 @incollection{Beliakov2005_invol,
\r
1798 author = {Beliakov, G.},
\r
1799 title = {A review of applications of the Cutting Angle methods},
\r
1800 booktitle = {Continuous Optimization},
\r
1801 editor = {Rubinov, A. and Jeyakumar, V.},
\r
1802 publisher = {Springer},
\r
1803 address = {New York},
\r
1804 pages = {209-248},
\r
1808 @article{Beliakov2005_TOMACS,
\r
1809 author = {Beliakov, G.},
\r
1810 title = {Universal nonuniform random vector generator based on acceptance-rejection},
\r
1811 journal = {ACM Trans. on Modelling and Computer Simulation},
\r
1813 pages = {205-232},
\r
1817 @article{Beliakov2004_JCAM,
\r
1818 author = {Beliakov, G},
\r
1819 title = {Interpolation of Lipschitz functions},
\r
1820 journal = {J. of Comp. and Applied Mathematics},
\r
1826 @article{Beliakov2007_JIMO,
\r
1827 author = {Beliakov, G.},
\r
1828 title = {Construction of aggregation operators for automated decision making via optimal interpolation and global optimization},
\r
1829 journal = {J. of Industrial and Management Optimization},
\r
1831 pages = {193-208},
\r
1835 @article{Beliakov2007_OMS,
\r
1836 author = {Beliakov, G},
\r
1837 title = {Smoothing of Lipschitz functions},
\r
1838 journal = {Optimization Methods and Software},
\r
1840 pages = {901 - 916},
\r
1844 @article{Beliakov2008_PJO,
\r
1845 author = {Beliakov, G.},
\r
1846 title = {Extended cutting angle method of global optimization},
\r
1847 journal = {Pacific J. of Optimization},
\r
1849 pages = {153-176},
\r
1853 author = {Beliakov, G.},
\r
1854 title = {Fitting Fuzzy Measures by Linear Programming. Programming Library Fmtools},
\r
1855 booktitle = {IEEE World Congress on Computational Intelligence },
\r
1856 address = {Hong Kong},
\r
1857 publisher = {IEEE Press},
\r
1858 pages = {862-867},
\r
1862 author = {Beliakov, G.},
\r
1863 title = {Fitting fuzzy measures by linear programming. Programming library fmtools},
\r
1864 booktitle = {Fuzzy Systems, 2008. FUZZ-IEEE 2008. (IEEE World Congress on Computational Intelligence). IEEE International Conference on},
\r
1865 pages = {862-867},
\r
1866 keywords = {data analysis
\r
1868 learning (artificial intelligence)
\r
1869 linear programming
\r
1870 discrete Choquet integral
\r
1871 least absolute deviation sense
\r
1872 open source programming library
\r
1873 programming library fmtools},
\r
1877 @article{Beliakov2009_FSS,
\r
1878 author = {Beliakov, G.},
\r
1879 title = {Construction of aggregation functions from data using linear programming},
\r
1880 journal = {Fuzzy Sets and Systems},
\r
1886 @incollection{Beliakov2010_invol,
\r
1887 author = {Beliakov, G.},
\r
1888 title = {Optimization and aggregation functions},
\r
1889 booktitle = {Fuzzy optimization : recent advances and applications},
\r
1890 publisher = {Springer},
\r
1891 address = {Berlin},
\r
1896 @article{Beliakov2011_JSS,
\r
1897 author = {Beliakov, G.},
\r
1898 title = {Fast computation of trimmed means},
\r
1899 journal = {Journal of statistical software},
\r
1906 @techreport{Beliakov2011_arxiv,
\r
1907 author = {Beliakov, G.},
\r
1908 title = {Parallel calculation of the median and order statistics on {GPU}s with application to robust regression},
\r
1909 institution = {arxiv :1104.2732},
\r
1913 @incollection{Beliakov2002_his,
\r
1914 author = {Beliakov, G. and Abraham, A.},
\r
1915 title = {Global optimisation of neural networks using deterministic hybrid approach},
\r
1916 booktitle = {Hybrid Information Systems},
\r
1917 editor = {Abraham, A. and Koppen, M.},
\r
1918 publisher = {Springer},
\r
1919 address = {Berlin},
\r
1924 @article{Beliakov2006_Opt,
\r
1925 author = {Beliakov, G. and Bagirov, A.},
\r
1926 title = {Nonsmooth optimization methods for computation of the Conditional Value-at-Risk and portfolio optimization},
\r
1927 journal = {Optimization},
\r
1929 pages = {459-479},
\r
1933 @incollection{Beliakov2003_iccs1,
\r
1934 author = {Beliakov, G. and Bagirov, A. and Monsalve, J. E.},
\r
1935 title = {Parallelization of the discrete gradient method of non-smooth optimization and its applications},
\r
1936 booktitle = {Proceedings of the 3rd International Conference on Computational Science, LNCS},
\r
1937 series = {Springer-Verlag Lecture Notes in Computer Science (LNCS)},
\r
1938 publisher = {Springer-Verlag},
\r
1939 address = {Heidelberg},
\r
1941 pages = {592-601},
\r
1942 keywords = {global minimum
\r
1943 global optimization
\r
1944 geometry optimization
\r
1945 Melbourne (Australia)
\r
1946 St Petersburg (Russian Federation)
\r
1947 Lennard-Jones (LJ) (12-6) model
\r
1948 Lennard-jones clusters
\r
1953 @inproceedings{Beliakov2003_coin,
\r
1954 author = {Beliakov, G. and Buckley, S.},
\r
1955 title = {Reconstruction of the refractive index profile of planar waveguides using ray tracing analysis},
\r
1956 booktitle = {Conference on the Optical Internet and Australian Conference on Optical Fibre Technology},
\r
1957 address = {Melbourne},
\r
1958 pages = {384-387},
\r
1962 @article{Beliakov2005_IJPAM,
\r
1963 author = {Beliakov, G. and Buckley, S.},
\r
1964 title = {Mathematical modelling of the refractive index reconstruction through global optimization},
\r
1965 journal = {Int. J. Pure and Appl. Mathematics},
\r
1967 pages = {389-403},
\r
1971 @article{BeliakovLNCS_2010,
\r
1972 author = {Beliakov, G. and Bustince, H. and Fernandez, J.},
\r
1973 title = {On the Median and Its Extensions},
\r
1976 pages = {435-444},
\r
1980 @article{Beliakov2011_FSS,
\r
1981 author = {Beliakov, Gleb and Bustince, Humberto and Fernandez, Javier},
\r
1982 title = {The median and its extensions},
\r
1983 journal = {Fuzzy Sets and Systems},
\r
1986 keywords = {Median
\r
1987 Aggregation functions
\r
1993 @incollection{beliakov_estylf,
\r
1994 author = {Beliakov, G. and Bustince, H. and Fernandez, J. and Paternain, D.},
\r
1995 title = {Means on discrete product lattices},
\r
1996 booktitle = {ESTYLF'2010},
\r
1997 address = {Huelva, Spain},
\r
2001 @article{Beliakov2011_INS,
\r
2002 author = {Beliakov, G. and Bustince, H. and Goswami, D. P. and Mukherjee, U. K. and Pal, N. R.},
\r
2003 title = {On averaging operators for Atanassov's intuitionistic fuzzy sets},
\r
2004 journal = {Information Sciences},
\r
2007 pages = {1116-1124},
\r
2008 note = {doi: DOI: 10.1016/j.ins.2010.11.024},
\r
2009 keywords = {Atanassov's intuitionistic fuzzy sets
\r
2010 Aggregation operators
\r
2011 Interval-valued fuzzy sets
\r
2013 Triangular norms},
\r
2017 @article{BeliakovTIP_2012,
\r
2018 author = {Beliakov, G. and Bustince, H. and Paternain, D.},
\r
2019 title = {Image Reduction Using Means on Discrete Product Lattices},
\r
2020 journal = {IEEE Trans. on Image Processing},
\r
2022 pages = {1070 - 1083},
\r
2026 @article{Beliakov2012_TFS1,
\r
2027 author = {Beliakov, G. and Bustince Sola, H. and James, S. and Calvo, T. and Fernandez, J.},
\r
2028 title = {Aggregation for Atanassov's Intuitionistic and Interval Valued Fuzzy sets: The Median Operator},
\r
2029 journal = {IEEE Trans. on Fuzzy Systems},
\r
2030 volume = {in press},
\r
2031 pages = {DOI: 10.1109/TFUZZ.2011.2177271 },
\r
2035 @inproceedings{BeliakovCalvo2005_EUSFLAT,
\r
2036 author = {Beliakov, G. and Calvo, T.},
\r
2037 title = {Identification of general and double aggregation operators using monotone smoothing},
\r
2038 booktitle = {EUSFLAT 2005},
\r
2039 editor = {Montseny, E. and Sobrevilla, P.},
\r
2040 address = {Barcelona, Spain},
\r
2041 publisher = {European Society for Fuzzy Logic and Technology},
\r
2042 pages = {937-942},
\r
2046 @article{Beliakov2006_TFS,
\r
2047 author = {Beliakov, G. and Calvo, T.},
\r
2048 title = {Construction of aggregation operators with noble reinforcement},
\r
2049 journal = {IEEE Trans. on Fuzzy Syst.},
\r
2051 pages = {1209-1218},
\r
2055 @inproceedings{Beliakov2007_EUSFLAT,
\r
2056 author = {Beliakov, G. and Calvo, T.},
\r
2057 title = {Constructions of aggregation operators that preserve ordering of the data},
\r
2058 booktitle = {EUSFLAT 2007},
\r
2059 address = {Ostrava, Czech Respublic},
\r
2060 publisher = {European Society for Fuzzy Logic and Technology},
\r
2064 @incollection{Beliakov2006_invol,
\r
2065 author = {Beliakov, G. and Calvo, T.},
\r
2066 title = {Identification of weights in aggregation operators},
\r
2067 booktitle = {Fuzzy Sets and Their Extensions: Representation, Aggregation and Models. },
\r
2068 editor = {Bustince, H. and Herrera, F. and Montero, J.},
\r
2069 publisher = {Springer},
\r
2070 address = {Heidelberg, New York},
\r
2071 pages = {145-162},
\r
2075 @incollection{Beliakov2006_invol1,
\r
2076 author = {Beliakov, G. and Calvo, T.},
\r
2077 title = {Interpolatory type construction of general aggregation operators},
\r
2078 booktitle = {Fuzzy Sets and Their Extensions: Representation, Aggregation and Models},
\r
2079 editor = {Bustince, H. and Herrera, F.
\r
2081 publisher = {Springer},
\r
2082 address = {Berlin},
\r
2087 author = {Beliakov, G. and Calvo, T.},
\r
2088 title = {Construction of k-Lipsschitz triangular norms and conorms from empirical data},
\r
2089 journal = {IEEE Trans. on Fuzzy Systems},
\r
2091 pages = {1217-1220},
\r
2095 @inproceedings{Beliakov2004_ICOTA1,
\r
2096 author = {Beliakov, G. and Calvo, T. and Garcia Barriocanal, M.E. and Sicilia, M.A.},
\r
2097 title = {Choquet Integral-Based Aggregation of Interface Usability Parameters: Identification of Fuzzy Measure},
\r
2098 booktitle = {6th Intl. Conf. on Optimization Techniques and Applications},
\r
2099 editor = {Rubinov, A.},
\r
2100 address = {Ballarat, Australia},
\r
2104 author = {Beliakov, G. and Calvo, T. and James, S.},
\r
2105 title = {Some results on Lipschitz quasi-arithmetic means},
\r
2106 booktitle = {Intl Fuzzy Systems Association World Congress},
\r
2107 address = {Lisbon, Portugal},
\r
2108 publisher = {IFSA},
\r
2112 @article{Beliakov2010_FSS,
\r
2113 author = {Beliakov, G. and Calvo, T. and James, S.},
\r
2114 title = {On Lipschitz properties of generated aggregation functions},
\r
2115 journal = {Fuzzy Sets and Systems},
\r
2117 pages = {1437-1447},
\r
2121 @incollection{Beliakov2011_handbook,
\r
2122 author = {Beliakov, G. and Calvo, T. and James, S.},
\r
2123 title = {Aggregation of preferences in recommender systems},
\r
2124 booktitle = {Handbook of Recommender Systems},
\r
2125 publisher = {Springer},
\r
2126 address = {Heidelberg, Berlin},
\r
2127 pages = {705-734},
\r
2131 @incollection{Beliakov2011_inbook,
\r
2132 author = {Beliakov, Gleb and Calvo, Tomasa and James, Simon},
\r
2133 title = {On Penalty-Based Aggregation Functions and Consensus},
\r
2134 booktitle = {Consensual Processes},
\r
2135 editor = {Herrera-Viedma, Enrique and García-Lapresta, José and Kacprzyk, Janusz and Fedrizzi, Mario and Nurmi, Hannu and Zadrozny, Slawomir},
\r
2136 series = {Studies in Fuzziness and Soft Computing},
\r
2137 publisher = {Springer },
\r
2138 address = {Berlin / Heidelberg},
\r
2141 keywords = {Engineering},
\r
2145 author = {Beliakov, G. and Calvo, T. and Lazaro, J.},
\r
2146 title = {Pointwise construction of Lipschitz aggregation operators},
\r
2147 booktitle = {11th Information Processing and Management of Uncertainty},
\r
2148 address = {Paris},
\r
2149 publisher = {Editions E.D.K.},
\r
2150 pages = {595-602},
\r
2154 @article{Beliakov2005_IJUFKS1,
\r
2155 author = {Beliakov, G. and Calvo, T. and Lazaro, J.},
\r
2156 title = {Pointwise construction of {L}ipschitz aggregation operators with specific properties},
\r
2157 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
2159 pages = {193-223},
\r
2163 author = {Beliakov, G. and Calvo, T. and Pradera, A.},
\r
2164 title = {Handling of absorbent information by aggregation operators},
\r
2165 booktitle = {XIII Congreso Español sobre Tecnologías y Logica Fuzzy, ESTYLF 2006},
\r
2166 address = {Ciudad Real},
\r
2167 pages = {accepted},
\r
2171 author = {Beliakov, G. and Calvo, T. and Pradera, A.},
\r
2172 title = {Handling of neutral information by aggregation operators},
\r
2173 booktitle = {11th Information Processing and Management of Uncertainty},
\r
2174 address = {Paris},
\r
2175 publisher = {Editions E.D.K.},
\r
2177 pages = {587-594},
\r
2181 @article{Beliakov2008_FSS,
\r
2182 author = {Beliakov, G. and Calvo, T. and Pradera, A.},
\r
2183 title = {Absorbent tuples of aggregation operators},
\r
2184 journal = {Fuzzy Sets and Systems},
\r
2186 pages = {1675-1691},
\r
2190 @article{Beliakov2007_FSS,
\r
2191 author = {Beliakov, G. and Calvo, T. and Pradera, A.},
\r
2192 title = {Handling of neutral information by aggregation operators},
\r
2193 journal = {Fuzzy Sets and Systems},
\r
2195 pages = {861-880},
\r
2199 @article{Beliakov1997_ao,
\r
2200 author = {Beliakov, G. and Chan, D. Y. C.},
\r
2201 title = {Analysis of Inhomogeneous Optical Systems by the Use of Ray Tracing .1. Planar Systems},
\r
2202 journal = {Applied Optics},
\r
2205 pages = {5303-5309},
\r
2206 abstract = {We describe a novel approach to refractive-index reconstruction in two-dimensional systems with no special symmetry, based on observation of traces of rays that travel through the optical system. The mathematical model of ray-tracing analysis is presented in detail, and both the analytical and numerical solutions are given. Methods of data processing in the presence of experimental errors are developed and applied to model problems. (C) 1997 Optical Society of America. [References: 19]},
\r
2207 keywords = {Refractive-index distribution. Ray-tracing. Gradient-index lens.
\r
2208 Nondestructive diagnostics.
\r
2209 Refractive-index distribution. Transverse interferograms.
\r
2210 Reconstruction. Profile. Tomography. Fiber. Eye.
\r
2211 Applied physics/condensed matter/materials science. Optics and acoustics.},
\r
2215 @article{Beliakov1998_ao,
\r
2216 author = {Beliakov, G. and Chan, D. Y. C.},
\r
2217 title = {Analysis of Inhomogeneous Optical Systems by the Use of Ray Tracing - II - Three-Dimensional Systems with Symmetry},
\r
2218 journal = {Applied Optics},
\r
2221 pages = {5106-5111},
\r
2222 note = {Current Contents/Physical, Chemical and Earth Sciences Current Contents/Engineering, Technology and Applied Sciences
\r
2223 Reprint available from: Beliakov G UNIV MELBOURNE DEPT MATH PARKVILLE VIC 3052 AUSTRALIA},
\r
2224 abstract = {We describe a new approach to the index reconstruction of three-dimensional optical systems with rotational symmetry, which is based on sampling ray paths that lie in the sagittal plane. Since the observed rays are distorted by the optical system itself, they cannot be used directly for index reconstruction. We present an iterative procedure to compute the true ray paths and then to find the index distribution. The utility of the method is verified on the model problem. (C) 1998 Optical Society of America. [References: 14]},
\r
2225 keywords = {Refractive-index. Crystalline lens. Eye.
\r
2226 Applied physics/condensed matter/materials science. Optics and acoustics.},
\r
2230 @article{Beliakov2010_JOGO,
\r
2231 author = {Beliakov, G. and Ferrer, A.},
\r
2232 title = {Bounded lower subdifferentiability optimization techniques. Applications },
\r
2233 journal = {J. Global Optimization},
\r
2235 pages = {211 - 231},
\r
2239 @incollection{BeliakovFerrer2010_inbook,
\r
2240 author = {Beliakov, G. and Ferrer, A.},
\r
2241 title = {Potential application of discrete-event simulation and fuzzy rule-based systems to structural reliability and availability},
\r
2242 booktitle = {Simulation Methods for Reliability and Availability of Complex Systems},
\r
2243 editor = {Faulin, J. and Juan, A. and Martotell Alsina, A. and Ramirez-Marquez, J.},
\r
2244 publisher = {Springer},
\r
2245 address = {Berlin, New York},
\r
2246 pages = {199-219},
\r
2250 author = {Beliakov, G. and James, S.},
\r
2251 title = {Using Choquet Integrals for Knn Approximation and Classification},
\r
2252 booktitle = {IEEE World Congress on Computational Intelligence },
\r
2253 address = {Hong Kong},
\r
2254 publisher = {IEEE Press},
\r
2255 pages = {1311-1317},
\r
2259 author = {Beliakov, G. and James, S.},
\r
2260 title = {Citation based Journal Rankings: An Application of Fuzzy Measures},
\r
2261 booktitle = {5th Intl. Summer School on Aggregation Operators},
\r
2262 address = {Palma de Mallorca, Spain},
\r
2266 @article{BeliakovFSS_2011,
\r
2267 author = {Beliakov, Gleb and James, Simon},
\r
2268 title = {Citation-based journal ranks: The use of fuzzy measures},
\r
2269 journal = {Fuzzy Sets and Systems},
\r
2272 pages = {101-119},
\r
2273 note = {doi: DOI: 10.1016/j.fss.2010.08.011},
\r
2274 keywords = {Aggregation operators
\r
2277 Ordinal classification},
\r
2281 author = {Beliakov, G. and James, S.},
\r
2282 title = {Induced Ordered Weighted Averaging Operators},
\r
2283 booktitle = {Recent Developments in the Ordered Weighted Averaging Operators: Theory and Practice},
\r
2284 editor = {Yager, R. and Kacprzyk, J. and Beliakov, G.},
\r
2285 publisher = {Springer},
\r
2286 address = {Berlin},
\r
2291 author = {Beliakov, G. and James, S.},
\r
2292 title = {On extending generalized Bonferroni means to Atanassov orthopairs in decision making contexts},
\r
2293 journal = {Fuzzy Sets and Systems},
\r
2294 volume = {10.1016/j.fss.2012.03.018},
\r
2298 @article{Beliakov2011_TFS,
\r
2299 author = {Beliakov, G. and James, S. and Li, G.},
\r
2300 title = { Learning choquet-integral-based metrics for semisupervised clustering},
\r
2301 journal = {IEEE Trans. on Fuzzy Systems},
\r
2303 pages = {562-574},
\r
2307 @article{Beliakov2010_FSS_bonf,
\r
2308 author = {Beliakov, Gleb and James, Simon and Mordelová, Juliana and Rückschlossová, Tatiana and Yager, Ronald R.},
\r
2309 title = {Generalized Bonferroni mean operators in multi-criteria aggregation},
\r
2310 journal = {Fuzzy Sets and Systems},
\r
2313 pages = {2227-2242},
\r
2314 note = {doi: DOI: 10.1016/j.fss.2010.04.004},
\r
2315 keywords = {Aggregation operators
\r
2318 Composed aggregation function
\r
2320 Hard/soft partial conjunction},
\r
2324 author = {Beliakov, G. and James, S. and Troiano, L.},
\r
2325 title = {Texture Recognition by Using Glcm and Various Aggregation Functions},
\r
2326 booktitle = {IEEE World Congress on Computational Intelligence },
\r
2327 address = {Hong Kong},
\r
2328 publisher = {IEEE Press},
\r
2329 pages = {1472-1476},
\r
2333 author = {Beliakov, G. and James, S. and Troiano, L.},
\r
2334 title = {Texture recognition by using GLCM and various aggregation functions},
\r
2335 booktitle = {Fuzzy Systems, 2008. FUZZ-IEEE 2008. (IEEE World Congress on Computational Intelligence). IEEE International Conference on},
\r
2336 pages = {1472-1476},
\r
2337 keywords = {grey systems
\r
2341 pattern classification
\r
2342 principal component analysis
\r
2344 aggregation functions
\r
2345 alternative aggregation methods
\r
2346 grey level co-occurrence matrix
\r
2347 k nearest neighbors classification
\r
2349 texture recognition},
\r
2353 @article{Beliakov2012_computing,
\r
2354 author = {Beliakov, G. and Johnstone, M. and Nahavandi, S.},
\r
2355 title = {Computing of high breakdown regression estimators without sorting on graphics processing units},
\r
2356 journal = {Computing},
\r
2358 pages = {433-447},
\r
2359 keywords = {Computer Science},
\r
2363 @article{Beliakov2012_OMS,
\r
2364 author = {Beliakov, G. and Kelarev, A.},
\r
2365 title = {Global non-smooth optimization in robust multivariate regression},
\r
2366 journal = {Optimization methods and Software},
\r
2367 volume = {DOI: 10.1080/10556788.2011.614609},
\r
2371 @article{Beliakov2012_opt,
\r
2372 author = {Beliakov, G. and Kelarev, A. and Yearwood, J.},
\r
2373 title = {Derivative-free optimization and neural networks for robust regression},
\r
2374 journal = {Optimization},
\r
2375 pages = {DOI: 10.1080/02331934.2012.674946},
\r
2379 @inproceedings{Beliakov2005_IASTED1,
\r
2380 author = {Beliakov, G. and King, M.},
\r
2381 title = {Fuzzy C-means density based clustering using data induced metric},
\r
2382 booktitle = {The IASTED Intl. Conf. on Artificial Intelligence and Applications},
\r
2383 editor = {Hamza, M.H.},
\r
2384 address = {Innsbruck, Austria},
\r
2385 publisher = {ACTA Press},
\r
2386 pages = {234-239},
\r
2390 @article{BeliakovKing2005_EJOR,
\r
2391 author = {Beliakov, G. and King, M.},
\r
2392 title = {Density based fuzzy c-means clustering of non-convex patterns},
\r
2393 journal = {Europ. J. Oper. Res.},
\r
2395 pages = {717-728},
\r
2399 @article{BeliakovKohler2005_IEEETIT,
\r
2400 author = {Beliakov, G. and Kohler, M.},
\r
2401 title = {Estimation of regression functions by Lipschitz continuous functions},
\r
2402 journal = {IEEE Trans. on Information Theory},
\r
2403 volume = {submitted},
\r
2407 @article{Beliakov2012_patrec,
\r
2408 author = {Beliakov, Gleb and Li, Gang},
\r
2409 title = {Improving the speed and stability of the k-Nearest Neighbors method},
\r
2410 journal = {Pattern Recognition Letters},
\r
2412 pages = {1296-1301},
\r
2418 graphics processing units},
\r
2422 @article{BeliakovLim2005_EJOR,
\r
2423 author = {Beliakov, G. and Lim, K.F.},
\r
2424 title = {Challenges of continuous global optimization in molecular structure prediciton},
\r
2425 journal = {Europ. J. Oper. Res.},
\r
2427 pages = {1198-1213},
\r
2431 @article{Beliakov2003_ijufks,
\r
2432 author = {Beliakov, G. and Mesiar, R. and Valaskova, L.},
\r
2433 title = {Fitting generated aggregation operators to empirical data},
\r
2434 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
2436 pages = {219-236},
\r
2440 @inproceedings{Beliakov2001_md,
\r
2441 author = {Beliakov, G. and Monsalve, J. E.},
\r
2442 title = {Curve and Surface design using constrained splines},
\r
2443 booktitle = { 3rd International Conference Mathematics and Design},
\r
2444 address = {Melbourne},
\r
2445 publisher = {Deakin University},
\r
2450 @inproceedings{Beliakov2004_ICOTA2,
\r
2451 author = {Beliakov, G. and Monsalve Tobon, J.E.},
\r
2452 title = {Nonlinear time series forecasting using Lipschitz approximation},
\r
2453 booktitle = {6th Int. Conf. on Optimization Techniques and Applications},
\r
2454 editor = {Rubinov, A.},
\r
2455 address = {Ballarat, Australia},
\r
2459 @book{Beliakov2007_book,
\r
2460 author = {Beliakov, G. and Pradera, A. and Calvo, T.},
\r
2461 title = {Aggregation Functions: A Guide for Practitioners},
\r
2462 publisher = {Springer},
\r
2463 address = {Heidelberg, Berlin, New York},
\r
2464 edition = {www.springer.com/978-3-540-73720-9},
\r
2468 @incollection{Beliakov2003_hpavolume,
\r
2469 author = {Beliakov, G. and Ting, K. M. and Murshed, M. and Rubinov, A. and Bertoli, M.},
\r
2470 title = {Efficient Serial and Parallel Implementations of the Cutting Angle Method},
\r
2471 booktitle = {High Performance Algorithms and Software for Nonlinear Optimization},
\r
2472 editor = {Di Pillo, G.},
\r
2473 publisher = {Kluwer Academic Publishers},
\r
2478 @inproceedings{Beliakov2001_icota2,
\r
2479 author = {Beliakov, G. and Ting, K.-M. and Murshed, M.},
\r
2480 title = {Efficient serial and parallel implementation of the cutting angle global optimization technique},
\r
2481 booktitle = {5th International Conference on Optimization: Techniques and Applications},
\r
2482 address = {Hong Kong},
\r
2488 @article{Beliakov2007_Opt,
\r
2489 author = {Beliakov, G. and Ugon, J.},
\r
2490 title = {Implementation of novel methods of global and non-smooth optimization: {GANSO} programming library},
\r
2491 journal = {Optimization},
\r
2493 pages = {543-546},
\r
2497 @article{Beliakov2001_tfs,
\r
2498 author = {Beliakov, G. and Warren, J.},
\r
2499 title = {Appropriate choice of aggregation operators in fuzzy decision support systems},
\r
2500 journal = {IEEE Transactions On Fuzzy Systems},
\r
2502 pages = {773-784},
\r
2506 @article{Beliakov2001_aim,
\r
2507 author = {Beliakov, G. and Warren, J.},
\r
2508 title = {Fuzzy logic for decision support in chronic care},
\r
2509 journal = {Artificial Intelligence in Medicine},
\r
2512 pages = {209-213},
\r
2513 note = {Current Contents(R)/Clinical Medicine.
\r
2514 Reprint available from: Beliakov G Deakin Univ, Sch Comp and Math Rusden Campus 662 Blackburn Rd Clayton Vic 3168 Australia Deakin Univ, Sch Comp and Math Clayton Vic 3168 Australia Univ S Australia, Sch Comp and Informat Sci, Hlth Informat Res Grp Mawson Lakes 5095 Australia 0017 Artif. Intell. Med},
\r
2515 abstract = {Computerized clinical guidelines can provide significant benefits in terms of health outcomes and costs, however, their effective computer implementation presents significant problems. Vagueness and ambiguity inherent in natural language (textual) clinical guidelines makes them problematic for formulating automated alerts or advice. Fuzzy logic allows us to formalize the treatment of vagueness in a decision support architecture. In care plan on-line (CPOL), an intranet-based chronic disease care planning system for general practitioners (GPS) in use in South Australia, we formally treat fuzziness in interpretation of quantitative data, formulation of recommendations and unequal importance of clinical indicators. We use expert judgment on cases, as well as direct estimates by experts, to optimize aggregation operators and treat heterogeneous combinations of conjunction and disjunction that are present in the natural language decision rules formulated by specialist teams. (C) 2001 Elsevier Science B.V All rights reserved. [References: 11] 11},
\r
2516 keywords = {Clinical guidelines. Decision support systems. Vagueness. Aggregation
\r
2517 operators. Coordinated care.
\r
2518 Research/Laboratory Medicine and Medical Technology in Current
\r
2519 Contents(R)/Clinical Medicine.
\r
2524 @article{Beliakov2001_jds,
\r
2525 author = {Beliakov, G. and Warren, J. and Noone, J.},
\r
2526 title = {Mixed-initiative decision support for care planning based on clinical practice guidelines},
\r
2527 journal = {Journal of Decision Systems},
\r
2529 pages = {429-448},
\r
2533 @article{Beliakov2012_JNW,
\r
2534 author = {Beliakov, G. and Yearwood, J. and Kelarev, A.},
\r
2535 title = {Application of Rank Correlation, Clustering and classification in Information Security},
\r
2536 journal = {Journal of Networks},
\r
2537 volume = {In press},
\r
2541 @misc{Beliakov2011_FUZZIEEE,
\r
2542 author = {Beliakov, G. and Yu, S. and Paternain, D.},
\r
2543 title = {Non-monotone averaging aggregation},
\r
2544 publisher = {IEEE},
\r
2545 volume = {DOI: 10.1109/FUZZY.2011.6007643},
\r
2546 pages = {2905 - 2908 },
\r
2550 @article{Belikov1997_CMMP,
\r
2551 author = {Belikov, V.V. and Ivanov, V.D. and Kontorovich, V.K. and Korytnik, S.A. and Semenov, A.Y.},
\r
2552 title = {The non-Sibsonian interpolation: a new method of interpolation of the values of a function on an arbitrary set of points},
\r
2553 journal = {Computational Mathematics and Mathematical Physics},
\r
2559 @article{Bellman1973,
\r
2560 author = {Bellman, R. E. and Giertz, M.},
\r
2561 title = {On the analytic formalism of the theory of fuzzy sets},
\r
2562 journal = {Inform. Sci.},
\r
2564 pages = {149-156},
\r
2568 @article{Bellman1970_MS,
\r
2569 author = {Bellman, R. E. and Zadeh, L.},
\r
2570 title = {Decisionmaking in a fuzzy environment},
\r
2571 journal = {Management Science},
\r
2573 pages = {141-164},
\r
2577 author = {Bengio, Yoshua and De Mori, Renato and Flammia, Giovanni and Kompe, Ralph},
\r
2578 title = {Global optimization of a neural network-hidden Markov model hybrid},
\r
2579 journal = {IEEE Transactions on Neural Networks},
\r
2582 pages = {p252(8)},
\r
2583 keywords = {Neural networks Research
\r
2584 Speech perception Research
\r
2585 Signal processing Research},
\r
2589 author = {Benson, H. P. and Lee, D. and McClure, P.},
\r
2590 title = {Global Optimization in Practice - an Application to Interactive Multiple Objective Linear Programming},
\r
2591 journal = {Journal of Global Optimization},
\r
2594 pages = {353-372},
\r
2595 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
2596 Reprint available from: Benson HP UNIV FLORIDA DEPT INFORMAT and DECIS SCI 351 BUSINESS BLDG GAINESVILLE, FL 32611 USA KOREA IND TECHNOL ASSOC KANGNAM GU SEOUL 135703 SOUTH KOREA BECKER GROVES INC FT PIERCE, FL 34954 USA},
\r
2597 abstract = {A multiple objective linear programming problem (F') involves the simultaneous maximization of two or more conflicting linear objective functions over a nonempty polyhedron X. Many of the most popular methods for solving this type of problem, including many well-known interactive methods, involve searching the efficient set X-E of the problem. Generally however, X-E is a complicated, nonconvex set. As a result, concepts and methods from global optimization may be useful in searching X-E. In this paper, we will explain in theory, and show via an actual application to citrus rootstock selection in Florida, how the potential usefulness of the well-known interactive method STEM for solving problem (P) in this way, can depend crucially upon how accurately certain global optimization problems involving minimizations over X-E are solved. In particular, we will show both in theory and in practice that the choice of whether to use the popular but unreliable ''payoff table'' approach or to use one of the lesser known, more accurate global optimization methods to solve these problems can determine whether STEM succeeds or fails as a decision aid. Several lessons and conclusions of transferable value derived from this research are also given. [References: 72]},
\r
2598 keywords = {Multiple objective linear programming. Optimization over the efficient
\r
2599 set. Interactive methods. Global optimization. Citrus rootstock
\r
2601 Criteria decision-making. Point search algorithm. Efficient set.
\r
2602 Principles. Values. Model.
\r
2603 Engineering mathematics.},
\r
2607 @article{Bental1989_JMAA,
\r
2608 author = {Ben-Tal, A. and Charnes, A. and Teboulle, M. },
\r
2609 title = {Entropic means},
\r
2610 journal = {J. Math. Anal. Appl.},
\r
2612 pages = {537-551},
\r
2616 @incollection{Benvenuti2000_inbook,
\r
2617 author = {Benvenuti, P. and Mesiar, R.},
\r
2618 title = {Integrals with respect to a general fuzzy measure},
\r
2619 booktitle = {Fuzzy measures and integrals. Theory and Applications.},
\r
2620 editor = {Grabisch, M. and Murofushi, T. and Sugeno, M.},
\r
2621 publisher = {Physica-Verlag},
\r
2622 address = {Heidelberg},
\r
2623 pages = {205-232},
\r
2627 @article{Benvenuti2005_IS,
\r
2628 author = {Benvenuti, P. and Mesiar, R.},
\r
2629 title = {Pseudo--arithmetical operations as a basis for integration with respect to a general fuzzy measure.},
\r
2630 journal = {Information Sciences},
\r
2631 year = {to appear}
\r
2635 author = {Berge, C. },
\r
2636 title = {Principles of Combinatorics},
\r
2637 publisher = {Academic Press},
\r
2638 address = {New York},
\r
2640 series = {Mathematics in Science and Engineering},
\r
2644 author = {Bern, M. and Eppstein, D.},
\r
2645 title = {Mesh Generation and Optimal Triangulation},
\r
2646 booktitle = {Computing in Euclidean Geometry},
\r
2647 editor = {Du, D-Z. and Hwang, F.},
\r
2648 publisher = {World Scientific},
\r
2649 address = {Singapore},
\r
2653 @techreport{Bernholt2005_TR,
\r
2654 author = {Bernholt, T.},
\r
2655 title = {Robust Estimators are Hard to Compute},
\r
2656 institution = { University of Dortmund},
\r
2657 number = {http://www.statistik.tu-dortmund.de/fileadmin/user_upload/Lehrstuehle/MSind/SFB_475/2005/tr52-05.pdf},
\r
2661 @article{Bernholt2006,
\r
2662 author = {Bernholt, T. and Fried, R. and Gather, U. and Wegener, I.},
\r
2663 title = {Modified repeated median filters},
\r
2664 journal = {Statistics and Computing},
\r
2667 pages = {177-192},
\r
2668 abstract = {We discuss moving window techniques for fast extraction of a signal comprising monotonic
\r
2669 trends and abrupt shifts from a noisy time series with irrelevant spikes. Running medians
\r
2670 remove spikes and preserve shifts, but they deteriorate in trend periods. Modified trimmed
\r
2671 mean filters use a robust scale estimate such as the median absolute deviation about
\r
2672 the median (MAD) to select an adaptive amount of trimming. Application of robust
\r
2673 regression, particularly of the repeated median, has been suggested for improving upon
\r
2674 the median in trend periods. We combine these ideas and construct modified filters based
\r
2675 on the repeated median offering better shift preservation. All these filters are compared
\r
2676 w.r.t. fundamental analytical properties and in basic data situations. An algorithm for
\r
2677 the update of the MAD running in time O(log n) for window width n is presented as well.},
\r
2681 author = {Bernshtein, V. and Lim, K.F. and Oref, I.},
\r
2682 title = {Temporal dependence of collisional energy transfer by quasiclassical trajectory calculations of the toluene-argon system},
\r
2683 journal = {J. Phys. Chem.},
\r
2686 pages = {4531-4535},
\r
2687 note = {P541.3/J85},
\r
2688 keywords = {quasiclassical trajectory (QCT)
\r
2689 collisional energy transfer (CET)
\r
2691 collision duration},
\r
2695 @article{Bertoluzza,
\r
2696 author = {Bertoluzza, C. and Corral, N. and Salas, A.},
\r
2697 title = {On a new class of distances between fuzzy numbers},
\r
2698 journal = {Mathware Soft Comput.},
\r
2704 @article{Best1990,
\r
2705 author = {Best, M. and Chakravarti, N.},
\r
2706 title = {Active set algorithms for isotonic regression; A unifying framework},
\r
2707 journal = {Mathematical Programming},
\r
2709 pages = {425-439},
\r
2710 keywords = {Isotonic regression
\r
2715 @book{Bezdek1981_book,
\r
2716 author = {Bezdek, James C.},
\r
2717 title = {Pattern recognition with fuzzy objective function algorithms},
\r
2718 publisher = {Plenum Press},
\r
2719 address = {New York},
\r
2720 series = {Advanced applications in pattern recognition.},
\r
2721 note = {James C. Bezdek.
\r
2723 Bibliography: p. 241-248.},
\r
2724 keywords = {Pattern perception.
\r
2726 Cluster analysis.},
\r
2730 author = {Bezdek, James C.},
\r
2731 title = {Fuzzy models and algorithms for pattern recognition and image processing},
\r
2732 publisher = {Kluwer Academic},
\r
2733 address = {Boston; London},
\r
2734 series = {Handbooks of fuzzy sets series; FSHS 4.},
\r
2737 James C. Bezdek ... [et al.]
\r
2738 1. Pattern Recognition. 1.1. Fuzzy models for pattern recognition. 1.2. Why fuzzy pattern recognition? 1.3. Overview of the volume -- 2. Cluster Analysis for Object Data. 2.1. Cluster analysis. 2.2. Batch point-prototype clustering models. 2.3. Non point-prototype clustering models. 2.4. Cluster Validity. 2.5. Feature Analysis -- 3. Cluster Analysis for Relational Data. 3.1. Relational Data. 3.2. Object Data to Relational Data. 3.3. Hierarchical Methods. 3.4. Clustering by decomposition of fuzzy relations. 3.5. Relational clustering with objective functions. 3.6. Cluster validity for relational models -- 4. Classifier Design. 4.1. Classifier design for object data. 4.2. Prototype classifiers. 4.3. Methods of prototype generation. 4.4. Nearest neighbor classifiers. 4.5. The Fuzzy Integral. 4.6. Fuzzy Rule-Based Classifiers. 4.7. Neural-like architectures for classification. 4.8. Adaptive resonance models. 4.9. Fusion techniques. 4.10. Syntactic pattern recognition.
\r
2739 5. Image Processing and Computer Vision. 5.1. Introduction. 5.2. Image Enhancement. 5.3. Edge Detection and Edge-Enhancement. 5.4. Edge Linking. 5.5. Segmentation. 5.6. Boundary Description and Surface Approximation. 5.7. Representation of Image Objects as Fuzzy Regions. 5.8. Spatial Relations. 5.9. Perceptual Grouping. 5.10. High-Level Vision -- App. 2. The Iris Data: Table I, Fisher (1936)
\r
2740 Includes bibliographical references and index.},
\r
2741 keywords = {Optical pattern recognition.
\r
2746 Great Britain Guidebooks.},
\r
2750 author = {Bianchini, M. and Gori, M. and Maggini, M.},
\r
2751 title = {On the problem of local minima in recurrent neural networks},
\r
2752 journal = {IEEE Transactions on Neural Networks},
\r
2755 pages = {p167(11)},
\r
2756 abstract = {Many researchers have recently focused their efforts on devising efficient algorithms, mainly based on optimization schemes, for learning the weights of recurrent neural networks. As in the case of feedforward networks, however, these learning algorithms may get stuck in local minima during gradient descent, thus discovering sub-optimal solutions. This paper analyses the problem of optimal learning in recurrent networks by proposing conditions that guarantee local minima free error surfaces. An example is given that also shows the constructive role of the proposed theory in designing networks suitable for solving a given task. Moreover, a formal relationship between recurrent and static feedforward networks is established such that the examples of local minima for feedforward networks already known in the literature can be associated with analogous ones in recurrent networks.},
\r
2757 keywords = {Neural networks Research
\r
2758 Maxima and minima Research},
\r
2762 @article{Bianco2004,
\r
2763 author = {Bianco, A. and Boente, G.},
\r
2764 title = {Robust estimators in semiparametric partly linear regression models},
\r
2765 journal = {Journal of Statistical Planning and Inference},
\r
2768 pages = {229-252},
\r
2769 abstract = {In this paper, under a semiparametric partly linear regression model, a family of robust estimates for the regression parameter and the regression function is introduced and discussed. Some of their asymptotic properties are studied. Through a Monte Carlo study the performance of the estimates is compared with the classical ones.},
\r
2773 @article{Bianco2003,
\r
2774 author = {Bianco, A.M. and Ben, M.G. and Yohai, V.J.},
\r
2775 title = {Robust estimation for linear regression with asymmetric errors with applications to log-gamma regression},
\r
2776 journal = {The Canadian Journal of Statistics},
\r
2779 pages = {511-528},
\r
2780 abstract = {In this paper we propose a class of robust estimates for regression with errors
\r
2781 with log-gamma distribution. These estimates, which are a natural extension
\r
2782 of the MM-estimates proposed by Yohai for ordinary regression, may combine
\r
2783 simultaneously high asymptotically e±ciency and a high breakdown point. This
\r
2784 paper focuses on the log-gamma regression model, but the estimates can be ex-
\r
2785 tended to a more general class of regression models with continuous asymmetric
\r
2790 author = {Biedl, T. and Demaine, E. and Demaine, M. and Lazard, S. and Lubiw, A. and O'Rourke, J. and Robbins, S. and Streinu, I. and Toussaint, G. and Whitesides, S.},
\r
2791 title = {A note on reconfiguring tree linkages: trees can lock},
\r
2792 journal = {Discrete Applied Mathematics},
\r
2795 pages = {293-297},
\r
2796 abstract = {It has recently been shown that any polygonal chain in the plane can be reconfigured to lie on a straight line, and any polygon can be reconfigured to be convex. This result cannot be extended to tree linkages: we show that there are trees with two configurations that are not connected by a motion. Indeed, we prove that an N-link tree can have 2(Omega(N)) equivalence classes of configurations.},
\r
2797 keywords = {journal
\r
2798 combinatorial analysis
\r
2801 distance geometry},
\r
2805 @incollection{Bihari1999_invol,
\r
2806 author = {Bihari, B. and Plotnikoff, N.P.},
\r
2807 title = {Methionine enkephalin in the treatment of AIDS-related complex},
\r
2808 booktitle = {Cytokines: Stress and Immunity},
\r
2809 editor = {Plotnikoff, N.P. and Mugo, A. and Faith, E. and Good, R. A.},
\r
2810 publisher = {CRC Press},
\r
2811 address = {Boca Raton (FL)},
\r
2816 author = {Birkhoff, G.},
\r
2817 title = {Lattice theory},
\r
2818 publisher = {American Mathematical Society Colloquium Publications},
\r
2819 address = {New York},
\r
2824 author = {Bishop, C. M.},
\r
2825 title = {Neural Networks for Pattern Recognition},
\r
2826 publisher = {Oxford Press},
\r
2831 author = {Black, R.D.},
\r
2832 title = {The Theory of Committees and Elections},
\r
2833 publisher = {Cambridge University Press},
\r
2834 address = {Cambridge},
\r
2838 author = {Blaney, J.M. and Dixon, J.S.},
\r
2839 title = {Distance geometry in molecular modelling},
\r
2840 booktitle = {Reviews in Computational Chemistry},
\r
2841 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
2842 publisher = {VCH Publishers},
\r
2843 address = {New York},
\r
2845 pages = {299-335},
\r
2846 keywords = {journal
\r
2848 computational chemistry
\r
2849 geometry optimization
\r
2850 molecular mechanics (MM)
\r
2851 molecular structure
\r
2852 molecular modelling
\r
2857 author = {Blekas, K. and Papageorgiou, G. and Stafylopatis, A.},
\r
2858 title = {Continuous Optimization Schemes for Fuzzy Classification},
\r
2859 booktitle = {Int. Conference on Digital Signal Processing},
\r
2860 address = {Santorini, Greece},
\r
2861 pages = {265--268},
\r
2865 author = {Bliek, C. and al., et},
\r
2866 title = {Algorithms for Solving Nonlinear Constrained and Optimization Problems: The State of the Art},
\r
2867 publisher = {http://www.mat.univie.ac.at/~neum/papers.html},
\r
2871 @article{Bloch1996_TSMS,
\r
2872 author = {Bloch, I},
\r
2873 title = {Information combination operators for data fusion: {A} comparative review with classification},
\r
2874 journal = {IEEE Trans. on Syst., Man and Cybernetics, A},
\r
2880 author = {Blockeel, H. and Raedt, L. D.},
\r
2881 title = {Topdown induction of firstorder logical decision trees},
\r
2882 journal = {Artificial Intelligence},
\r
2884 pages = {285-297},
\r
2888 @book{Bloomfield1983_book,
\r
2889 author = {Bloomfield, P. and Steiger, W.L.},
\r
2890 title = {Least Absolute Deviations. Theory, Applications and Algorithms},
\r
2891 publisher = {Birkhauser},
\r
2892 address = {Boston, Basel, Stuttgart},
\r
2896 @article{Blum1973,
\r
2897 author = {Blum, M. and Floyd, R. W. and Watt, V. and Rive, R. L. and Tarjan, R. E.},
\r
2898 title = {Time Bounds for Selection},
\r
2899 journal = {Journal of Computer and System Sciences},
\r
2901 pages = {448-461},
\r
2906 author = {Board on Chemical Sciences and Technology},
\r
2907 title = {Beyond the Molecular Frontier: Challenges for Chemistry and Chemical Engineering},
\r
2908 publisher = {National Academies Press},
\r
2909 address = {Washington (DC)},
\r
2910 keywords = {National Research Council (NRC)
\r
2911 Committee on Challenges for the Chemical Sciences in the 21st Century
\r
2912 Board on Chemical Sciences and Technology (BCST)},
\r
2916 author = {Boer, E. P. J. and Hendrix, E. M. T.},
\r
2917 title = {Global optimization problems in optimal design of experiments in regression models},
\r
2918 journal = {Journal of Global Optimization},
\r
2921 pages = {385-398},
\r
2922 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
2923 Reprint available from: Boer EPJ Univ Wageningen and Res Ctr, Subdept Math Dreyenlaan 4 NL-6703 HA Wageningen Netherlands Univ Wageningen and Res Ctr, Subdept Math NL-6703 HA Wageningen Netherlands 0006 J. Glob. Optim},
\r
2924 abstract = {In this paper we show that optimal design of experiments, a specific topic in statistics, constitutes a challenging application field for global optimization. This paper shows how various structures in optimal design of experiments problems determine the structure of corresponding challenging global optimization problems. Three different kinds of experimental designs are discussed: discrete designs, exact designs and replicationfree designs. Finding optimal designs for these three concepts involves different optimization problems. [References: 22] 22},
\r
2925 keywords = {Optimal design of experiments. Nonconvex structure. Mixed
\r
2926 integer/continuous optimization. Parameter estimation.
\r
2927 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
2933 @article{Boissonnat1998_DCGeom,
\r
2934 author = {Boissonnat, J.-D. and Sharir, M. and Tagansky, B. and Yvinec, M.},
\r
2935 title = {Voronoi diagrams in higher dimensions under certain polyhedral distance functions},
\r
2936 journal = {Discrete and Comput. Geometry},
\r
2938 pages = {485-519},
\r
2942 @article{Bonferroni1950,
\r
2943 author = {Bonferroni, C.},
\r
2944 title = {Sulle medie multiple di potenze},
\r
2945 journal = {Bollettino Matematica Italiana},
\r
2947 pages = {267-270},
\r
2951 @book{Bonnans2000,
\r
2952 author = {Bonnans, J.F. and Gilbert, J.C. and Lemarechal, C. and Sagastizabal, C.A.},
\r
2953 title = {Numerical Optimization. Theoretical and Practical Aspects},
\r
2954 publisher = {Springer},
\r
2955 address = {Berlin, Heidelberg},
\r
2960 author = {Boor, Carl de},
\r
2961 title = {A practical guide to splines},
\r
2962 publisher = {Springer},
\r
2963 address = {Berlin-NewYork},
\r
2965 series = {Applied Mathematical Sciences},
\r
2969 author = {Borghi, C. A. and Fabbri, M.},
\r
2970 title = {A combined technique for the global optimization of the inverse electromagnetic problem solution},
\r
2971 journal = {IEEE Transactions on Magnetics},
\r
2974 pages = {p1947(4)},
\r
2975 abstract = {A method for finding the global optimum of the electromagnetic inverse problem solution is presented. The problem consists in the determination of the current system which produces a given magnetic field within a domain of finite extent. An infinite class of solutions exists. In order to find the solution of the synthesis problem obtained, a global optimization technique, based on the combination of the Filled Function (FF) method and the Evolution Strategy (ES) method, is developed. The FF method is utilized to find a sequence of regions containing decreasing minima. The minimization inside this region is done by means of the ES method. The technique described has been utilized for the poloidal magnetic system of a toroidal device for thermonuclear fusion experiments and for the main coil system of a Nuclear Magnetic Resonance (NMR) device.},
\r
2976 keywords = {Mathematical optimization Technique
\r
2977 Electromagnetic fields Research},
\r
2982 author = {Borwein, J.M. and Borwein, P.B.},
\r
2983 title = {{PI} and the {AGM}: A Study in Analytic Number Theory and Computational Complexity },
\r
2984 publisher = {Wiley},
\r
2985 address = {New York},
\r
2989 @article{Borwein2003_SVA,
\r
2990 author = {Borwein, J.M. and Vanderwerff, J. and Wang, X.D. },
\r
2991 title = {Local Lipschitz-constant functions and maximal subdifferentials},
\r
2992 journal = {Set-Valued Anal.},
\r
2998 author = {Bos, R. and Barnett, N.W. and Dyson, G.A. and Lim, K.F. and Russell, R.A. and Watson, S.P.},
\r
2999 title = {Studies on the mechanism of the peroxyoxalate chemiluminescence reaction: Part 1; Confirmation of 1,2-dioxetanedione as an intermediate using 13C nuclear magnetic resonance spectroscopy},
\r
3000 journal = {Analytica Chimica Acta},
\r
3003 pages = {141-147},
\r
3004 abstract = {A simple model peroxyoxalate chemiluminescence system was monitored directly across a range of temperatures (from -80°C to +20°C) using 13C nuclear magnetic resonance spectroscopy. These experiments were made possible by the utilisation of 13C doubly labelled oxalyl chloride, which was reacted with anhydrous hydrogen peroxide in dry tetrahydrofuran. Ab initio quantum calculations were also performed to estimate the 13C NMR shift of the most commonly postulated key intermediate 1,2-dioxetanedione and this data, in concert with the spectroscopic evidence, confirmed its presence during the reaction.},
\r
3005 keywords = {journal},
\r
3009 @book{Bouchon1998_book,
\r
3010 author = {Bouchon-Meunier, B.},
\r
3011 title = {Aggregation and Fusion of Imperfect Information},
\r
3012 publisher = {Physica--Verlag},
\r
3013 address = {Heidelberg},
\r
3017 author = {Bourne, P.E. and Weissig, H.},
\r
3018 title = {Structural Bioinformatics},
\r
3019 publisher = {Wiley},
\r
3020 abstract = {This book aims to provide a basic understanding of the theories, associated algorithms, resources, and tools used in structural bioinformatics. The reader will emerge with the ability to make effective use of protein, DNA, RNA, carbohydrate, and complex structures to better understand biological function. Moreover, the book draws a clear connection between structural studies and the rational design of new therapies.},
\r
3025 author = {Box, G. E. P. and Jenkins, G. M.},
\r
3026 title = {Time Series Analysis, Forecasting and Control},
\r
3027 publisher = {Holden Day},
\r
3028 address = {San Francisco},
\r
3032 author = {Bradley, P. S. and Fayyad, U. M. and Mangasarian, O. L.},
\r
3033 title = {Mathematical programming for data mining: Formulations and challenges [Review]},
\r
3034 journal = {Informs Journal on Computing},
\r
3037 pages = {217-238},
\r
3038 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
3039 Reprint available from: Bradley PS Microsoft Res, Data Min and Explorat 1 Microsoft Way Redmond, WA 98052 USA Microsoft Res, Data Min and Explorat Redmond, WA 98052 USA Univ Wisconsin, Dept Comp Sci Madison, WI 53706 USA 0001 INFORMS J. Comput},
\r
3040 abstract = {This article is intended to serve as an overview of a rapidly emerging research and applications area. In addition to providing a general overview, motivating the importance of data mining problems within the area of knowledge discovery in databases, our aim is to list some of the pressing research challenges, and outline opportunities for contributions by the optimization research communities. Towards these goals, we include formulations of the basic categories of data mining methods as optimization problems. We also provide examples of successful mathematical programming approaches to some data mining problems. [References: 125] 125},
\r
3041 keywords = {Support vector machines. Misclassification minimization.
\r
3042 Identification. Convergence. Databases. Algorithm. Discovery. Bias.
\r
3043 Computer Science and Engineering in Current Contents(R)/Engineering,
\r
3044 Computing and Technology.
\r
3046 Reprint available from: Bradley PS. Microsoft Res, Data Min and Explorat, 1
\r
3047 Microsoft Way, Redmond, WA 98052, USA.},
\r
3051 author = {Bradley, P. S. and Mangasarian, O. L.},
\r
3052 title = {k-plane clustering},
\r
3053 journal = {Journal of Global Optimization},
\r
3057 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
3058 Reprint available from: Bradley PS Microsoft Corp, Res Redmond, WA 98052 USA Microsoft Corp, Res Redmond, WA 98052 USA Univ Wisconsin, Dept Comp Sci Madison, WI 53706 USA 0003 J. Glob. Optim},
\r
3059 abstract = {A finite new algorithm is proposed for clustering m given points in n-dimensional real space into k clusters by generating k planes that constitute a local solution to the nonconvex problem of minimizing the sum of squares of the 2-norm distances between each point and a nearest plane. The key to the algorithm lies in a formulation that generates a plane in n-dimensional space that minimizes the sum of the squares of the 2-norm distances to each of m(1) given points in the space. The plane is generated by an eigenvector corresponding to a smallest eigenvalue of an n x n simple matrix derived from the m(1) points. The algorithm was tested on the publicly available Wisconsin Breast Prognosis Cancer database to generate well separated patient survival curves. In contrast, the k-mean algorithm did not generate such well-separated survival curves. [References: 19] 19},
\r
3060 keywords = {Clustering. K-mean. Linear regression.
\r
3061 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
3064 Reprint available from: Bradley PS. Microsoft Corp, Res, Redmond, WA
\r
3069 author = {Bradley, P. S. and Mangasarian, O. L. and Street, W.N.},
\r
3070 title = {Clustering via concave minimization},
\r
3071 booktitle = {Advances in Neural Information Processing Systems},
\r
3072 editor = {Mozer, M.C. and Jordan, M.I. and Petsche, T.},
\r
3073 publisher = {MIT Press},
\r
3074 address = {Cambridge, MA},
\r
3076 pages = {368-374},
\r
3080 @article{Bregman1967,
\r
3081 author = {Bregman, L.M.},
\r
3082 title = {The relaxation method of finding the common point of convex sets and its application to the solution of problems in convex programming},
\r
3083 journal = {USSR Comput. Math. Phys.,},
\r
3085 pages = {200?217},
\r
3089 author = {Bretthauer, K. M. and Cabot, A. V.},
\r
3090 title = {A Composite Branch and Bound, Cutting Plane Algorithm for Concave Minimization over a Polyhedron},
\r
3091 journal = {Computers and Operations Research},
\r
3094 pages = {777-785},
\r
3095 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
3096 Reprint available from: Bretthauer KM TEXAS AandM UNIV DEPT BUSINESS ANAL and RES COLLEGE STN, TX 77843 USA INDIANA UNIV DEPT DECIS and INFORMAT SYST BLOOMINGTON, IN 47405 USA 0007},
\r
3097 abstract = {We present an algorithm that combines branch and bound with cutting planes to globally minimize a concave function over a polyhedron. The algorithm solves a series of linear underestimating subproblems over subsets of the feasible region, yielding lower and upper bounds on the optimal objective value of the original problem. The algorithm also uses a form of the Tuy cutting plane in the subproblems of the branch and bound tree. As in cone splitting algorithms for concave minimization, we construct the cutting planes such that no restrictive nondegeneracy assumptions are required and such that the hyperplanes defining the cuts do not need to be explicitly calculated, eliminating matrix inversions. An additional advantage of our algorithm is that the cuts cause the linear underestimating functions to more accurately approximate the concave objective function, yielding tighter lower bounds. Computational results with the algorithm are reported. [References: 46] 46},
\r
3098 keywords = {Integer programming-problems. Outer approximation. Global optimization.
\r
3099 Linear constraints. Conical algorithm. Convex set. Polytopes.
\r
3100 General/management.},
\r
3104 @book{Brooks1998_book,
\r
3105 author = {Brooks, R.R. and Iyengar, S.S.},
\r
3106 title = {Multi-Sensor Fusion: Fundamentals and Applications with Software},
\r
3107 publisher = {Prentice Hall},
\r
3108 address = {New-Jersey},
\r
3112 author = {Brown, M. and Harris, C.},
\r
3113 title = {Neurofuzzy adaptive modelling and control},
\r
3114 publisher = {Prentice Hall},
\r
3115 address = {London},
\r
3119 author = {Brown, R.D. and Boggs, J.E. and Hilderbrandt, R. and Lim, K.F. and Mills, I.M. and Nikitin, E. and Palmer, M.H.},
\r
3120 title = {Acronyms used in theoretical chemistry. Physical Chemistry Division. Working Party on Theoretical and Computational Chemistry},
\r
3121 journal = {Pure Appl. Chem.},
\r
3124 pages = {387-456},
\r
3125 keywords = {International Union of Pure and Applied Chemistry (IUPAC)
\r
3130 author = {Brünger, A.T. and Nilges, M.},
\r
3131 title = {Computational challenges for macromolecular structure determination by X-ray and solution NMR spectroscopy},
\r
3132 journal = {Q. Rev. Biophys.},
\r
3135 keywords = {journal
\r
3137 nuclear magnetic resonance (NMR)
\r
3138 X-ray crystallography
\r
3140 molecular conformation
\r
3141 molecular structure},
\r
3145 @book{Buchanan1984,
\r
3146 author = {Buchanan, B. and Shortliffe, E.},
\r
3147 title = {Rule-based Expert Systems. The MYCIN Experiments of the Stanford Heuristic Programming Project},
\r
3148 publisher = {Addison-Wesley},
\r
3149 address = {Reading, MA},
\r
3153 author = {Buckles, Bill P. and Petry, Fred},
\r
3154 title = {Genetic algorithms},
\r
3155 publisher = {IEEE Computer Society Press},
\r
3156 address = {Los Alamitos, Calif.},
\r
3157 series = {IEEE Computer Society Press technology series.},
\r
3159 [edited by] Bill P. Buckles and Frederick E. Petry.
\r
3160 Reprints of articles originally published from 1986 to 1991.
\r
3161 "IEEE Computer Society Press order number 2935."
\r
3162 "IEEE catalog number EH0353-3."
\r
3163 Includes bibliographical references (p. 109)},
\r
3164 keywords = {Genetic algorithms.},
\r
3168 author = {Buckley, S.},
\r
3169 title = {Reconstruction of the refractive index profile of planar waveguides
\r
3170 using ray tracing analysis},
\r
3171 booktitle = {6th Intl. Conf. on Optimization Techniques and Applications},
\r
3172 editor = {Rubinov, A.},
\r
3173 address = {Ballarat, Australia},
\r
3174 pages = {submitted},
\r
3178 @incollection{Bueler2000_involume,
\r
3179 author = {Bueler, B. and Enge, A. and Fukuda, K.},
\r
3180 title = {Exact volume computation for convex polytopes: A practical study.},
\r
3181 booktitle = {Polytopes - Combinatorics and Computation},
\r
3182 editor = {Kalai, G. and Ziegler, G. M.},
\r
3183 publisher = {Birkhauser},
\r
3184 address = {Basel},
\r
3185 pages = {131-154},
\r
3189 @book{Buhmann2003_book,
\r
3190 author = {Buhmann, M.D.},
\r
3191 title = {Radial Basis Functions. Theory and Implementations},
\r
3192 publisher = {Cambridge University Press},
\r
3193 address = {Cambridge},
\r
3197 @book{Bullen2003_book,
\r
3198 author = {Bullen, P.S.},
\r
3199 title = {Handbook of Means and Their Inequalities},
\r
3200 publisher = {Kluwer Academic Publishers},
\r
3201 address = {Dordrecht},
\r
3205 @incollection{Burdakov2006,
\r
3206 author = {Burdakov, O. and Sysoev, O. and Grimvall, A. and Hussian, M.},
\r
3207 title = {An $O(n^2)$ algorithm for isotonic regression},
\r
3208 booktitle = {Large-Scale Nonlinear Optimization},
\r
3209 editor = {Roma, G. Di Pillo and M.},
\r
3210 series = {Nonconvex Optimization and Its Applications},
\r
3211 publisher = {Springer-Verlag},
\r
3217 @inproceedings{Burdakow2004,
\r
3218 author = {Burdakow, Oleg and Grimwall, Anders and Hussian, M.},
\r
3219 title = {A generalised PAV algorithm for monotonic regression in several variables},
\r
3220 booktitle = {Computational Statistics},
\r
3221 editor = {Antoch, J.},
\r
3222 address = {Prague, Czech Republic},
\r
3223 publisher = {Physica-Verlag},
\r
3224 pages = {761-767},
\r
3228 @book{Burden2001_book,
\r
3229 author = {Burden, R.L. and Faires, J.D.},
\r
3230 title = {Numerical Analysis},
\r
3231 publisher = {Brooks/Cole},
\r
3232 address = {Pacific Grove, CA},
\r
3236 author = {Burkert, U. and Allinger, N.L.},
\r
3237 title = {Molecular Mechanics},
\r
3238 publisher = {American Chemical Society},
\r
3239 address = {Washington (DC)},
\r
3241 series = {ACS Monographs},
\r
3242 keywords = {optimisation
\r
3243 molecular conformation
\r
3244 computational chemistry
\r
3245 global optimization
\r
3246 molecular mechanics (MM)
\r
3247 American Chemical Society (ACS)},
\r
3251 @article{Bustince2012_IF,
\r
3252 author = {Bustince, H. and Barrenechea, E. and Calvo, T. and James, S. and Beliakov, G.},
\r
3253 title = {Consensus in multi-expert decision making problems using penalty functions defined over a Cartesian product of lattices},
\r
3254 journal = {Information Fusion},
\r
3255 pages = {DOI: 10.1016/j.inffus.2011.10.002},
\r
3256 keywords = {Restricted dissimilarity function
\r
3259 Multipurpose decision making
\r
3260 Selection process},
\r
3264 @article{Bust_2008,
\r
3265 author = {Bustince, H. and Barrenechea, E. and Pagola, M.},
\r
3266 title = {Generation of Interval-Valued Fuzzy and Atanassov’s Intuitionistic Fuzzy Connectives from Fuzzy Connectives and from $K_\alpha$ Operators: Laws for Conjunctions and Disjunctions, Amplitude},
\r
3267 journal = {Int. J. Intelligent Syst.},
\r
3269 pages = {680-714},
\r
3273 author = {Bustince, H. and Barrenechea, E. and Pagola, M. and Orduna, R.},
\r
3274 title = {Construction of Interval Type 2 Fuzzy Images to Represent Images in Grayscale. False Edges},
\r
3275 booktitle = {Fuzzy Systems Conference, 2007. FUZZ-IEEE 2007. IEEE International},
\r
3277 keywords = {fuzzy set theory
\r
3278 image representation
\r
3283 interval type 2 fuzzy image construction},
\r
3287 @article{Bustince2011_TIP,
\r
3288 author = {Bustince, H. and Fernandez, J. and Galar, M. and Beliakov, G.},
\r
3289 title = {Interval-Valued Fuzzy Sets Applied to Stereo Matching of Color images},
\r
3290 journal = {IEEE Transactions on Image Processing},
\r
3292 pages = {1949 - 1961 },
\r
3296 author = {Bustince, H. and Fernandez, J. and Mesiar, R. and Beliakov, G. and Calvo, T.},
\r
3297 title = {Penalty functions over a catesian product of lattices},
\r
3302 author = {Bustince, H. and Fernandez, J. and Mesiar, R. and Pradera, A. and Beliakov, G.},
\r
3303 title = {Restricted dissimilarity functions and penalty functions},
\r
3304 publisher = {Atlantis Press},
\r
3309 @book{Bustince2007_book,
\r
3310 author = {Bustince, H. and Herrera, F. and Montero, J.},
\r
3311 title = {Fuzzy Sets and Their Extensions: Representation, Aggregation and Models. },
\r
3312 publisher = {Springer},
\r
3313 address = {Heidelberg, New York},
\r
3317 @article{Bustince2008_FSS,
\r
3318 author = {Bustince, H. and Mesiar, R. and Montero, J.},
\r
3319 title = {Migrativity of Aggregation Operators},
\r
3320 journal = {Fuzzy Sets and Systems},
\r
3321 volume = {submitted},
\r
3325 @incollection{bust-montero,
\r
3326 author = {Bustince, H. and Montero, J. and Pagola, M. and Barrenechea, E. and Gomez, D.},
\r
3327 title = {A Survey of Interval-Valued Fuzzy Sets},
\r
3328 booktitle = {Handbook of Granular Computing},
\r
3329 publisher = {John Wiley and Sons, Ltd},
\r
3330 pages = {489-515},
\r
3331 keywords = {interval-valued fuzzy sets (IVFSs) theory
\r
3332 interval-valued fuzzy sets and interval type 2 fuzzy sets
\r
3333 disjunctive normal form (DNF)
\r
3334 interval-valued fuzzy set survey
\r
3335 interval-valued negations - IV negations
\r
3336 IV t-norms (and IV t-conorms) characterization theorems
\r
3337 interval-valued fuzzy implication operators
\r
3338 interval-valued (IV) information measures},
\r
3342 @inproceedings{Butland1980,
\r
3343 author = {Butland, J.},
\r
3344 title = {A method of interpolating reasonably-shaped curves through any data},
\r
3345 booktitle = {Computer Graphics '80},
\r
3346 editor = {Lansdown, R.J.},
\r
3347 address = {Middlesex, U.K.},
\r
3348 publisher = {Online Publications Ltd},
\r
3349 pages = {409-422},
\r
3353 author = {Calvo, T. and Beliakov, G.},
\r
3354 title = {On migrative means and copulas},
\r
3355 booktitle = {5th Intl. Summer School on Aggregation Operators},
\r
3356 address = {Palma de Mallorca, Spain},
\r
3357 volume = {submitted},
\r
3361 @article{Beliakov2009_FSS,
\r
3362 author = {Calvo, T. and Beliakov, G.},
\r
3363 title = {Aggregation functions based on penalties},
\r
3364 journal = {Fuzzy Sets and Systems},
\r
3366 pages = {1420-1436},
\r
3370 author = {Calvo, T. and De Baets, B.},
\r
3371 title = {On a generalization of the absorption equation},
\r
3372 journal = {Int. Fuzzy. Math. Publ. Math. Debrecen},
\r
3374 pages = {141--149},
\r
3378 @article{Calvo2001_fss,
\r
3379 author = {Calvo, T. and De Baets, B. and Fodor, J.},
\r
3380 title = {The functional equations of Frank and Alsina for uninorms and nullnorms},
\r
3381 journal = {Fuzzy Sets and Systems},
\r
3383 pages = {385-394},
\r
3387 @article{Calvo1999_mathware,
\r
3388 author = {Calvo, T. and De Baets, B. and Mesiar, R.},
\r
3389 title = {Weighted sums of aggregation operators},
\r
3390 journal = {Mathware and Soft Computing},
\r
3396 @incollection{Calvo2002_book,
\r
3397 author = {Calvo, T. and Kolesarova, A. and Komornikova, M. and Mesiar, R.},
\r
3398 title = {Aggregation operators: properties, classes and construction methods},
\r
3399 booktitle = {Aggregation Operators. New Trends and Applications},
\r
3400 editor = {Calvo, T. and Mayor, G. and Mesiar, R.},
\r
3401 publisher = {Physica-Verlag},
\r
3402 address = {Heidelberg, New York},
\r
3407 @article{Calvo2000_IJUFKS,
\r
3408 author = {Calvo, T. and Martin, J. and Mayor, G. and Torrens, J.},
\r
3409 title = {Balanced discrete fuzzy measures},
\r
3410 journal = {Int. J. Uncertainty, Fuzziness and Knowledge--Based Systems},
\r
3412 pages = {665--676},
\r
3416 @article{Calvo1999_Tatra,
\r
3417 author = {Calvo, T. and Mayor, G.},
\r
3418 title = {Remarks on two types aggregation functions},
\r
3419 journal = {Tatra Mount. Math. Publ.},
\r
3420 pages = {235--254},
\r
3424 @book{Calvo2002_edbook,
\r
3425 author = {Calvo, T. and Mayor, G. and Mesiar, R.},
\r
3426 title = {Aggregation Operators. New Trends and Applications},
\r
3427 publisher = {Physica-Verlag},
\r
3428 address = {Heidelberg, New York},
\r
3432 @article{Calvo2001_FSS,
\r
3433 author = {Calvo, T. and Mesiar, R.},
\r
3434 title = {Generalized medians},
\r
3435 journal = {Fuzzy Sets and Systems},
\r
3437 pages = {59 - 64 },
\r
3441 @inproceedings{Calvo2001_EUSFLAT,
\r
3442 author = {Calvo, T. and Mesiar, R.},
\r
3443 title = {Stability of aggregation operators},
\r
3444 booktitle = {2nd Conf. of the Europ. Soc. for Fuzzy Logic and Technology},
\r
3445 address = {Leicester},
\r
3446 pages = {475-478},
\r
3450 @article{Calvo2003_FSS,
\r
3451 author = {Calvo, T. and Mesiar, R.},
\r
3452 title = {Weighted triangular norms-based aggregation operators.},
\r
3453 journal = {Fuzzy Sets and Systems},
\r
3459 @incollection{Calvo2004_invol,
\r
3460 author = {Calvo, T. and Mesiar, R.},
\r
3461 title = {How to incorporate weights into aggregation process?},
\r
3462 booktitle = {Soft Computing. Foundations and Theoretical Aspects},
\r
3463 editor = {Atanassov, K.T. and Hryniewicz, O. and Kacprzyk, J.},
\r
3464 publisher = {EXIT Publishing House},
\r
3465 address = {Warzsawa},
\r
3470 @article{Calvo2004_TFS,
\r
3471 author = {Calvo, T. and Mesiar, R. and Yager, R.},
\r
3472 title = {Quantitative Weights and Aggregation},
\r
3473 journal = {IEEE Trans. on Fuzzy Systems},
\r
3479 @article{Calvo2004_FSS,
\r
3480 author = {Calvo, T. and Pradera, A.},
\r
3481 title = {Double aggregation operators},
\r
3482 journal = {Fuzzy Sets & Systems},
\r
3488 @inproceedings{Carbonell1997_IEEE,
\r
3489 author = {Carbonell, M. and Mas, M. and Mayor, G.},
\r
3490 title = {On a class of Monotonic Extended {OWA} Operators/},
\r
3491 booktitle = {6th IEEE International Conference on Fuzzy Systems},
\r
3492 address = {Barcelona, Spain},
\r
3493 publisher = {IEEE},
\r
3495 pages = {1695-1700},
\r
3499 @article{Carey2007_AMSG,
\r
3500 author = {Carey, A.L. and Cowling, M.G. and Taylor, P.G. },
\r
3501 title = {Assessing research in the mathematical sciences},
\r
3502 journal = {Australian Mathematical Society Gazette},
\r
3508 author = {Carlson, Rhys and Lewis, S.W. and Lim, K.F.},
\r
3509 title = {Seeing the light: Using chemiluminescence to demonstrate chemical fundamentals},
\r
3510 journal = {Chemeda: Aust. J. Chem. Educ.},
\r
3513 note = {published 2000},
\r
3514 abstract = {The term "chemiluminescence" was first coined by Eilhardt Weidemann in 1888, and refers to the emission of light from a chemical reaction. In its simplest form it can be represented by:
\r
3515 A + B Æ [I]* Æ products + light
\r
3516 [I]* is an excited state intermediate formed from the reaction of reactants A and B. This attractive phenomenon has been used frequently as a demonstration in teaching classes, and there are a number of "recipes" available in the literature and on the World Wide Web.
\r
3517 As part of the CSIRO Student Research Scheme for 1999, a secondary school student (RC) spent time in the laboratories at Deakin University, Geelong, investigating the suitability of a number of chemiluminescence demonstrations based on the luminol reaction which available on the World Wide Web.
\r
3518 The particular aim was to find a reaction suitable for use in secondary schools. In this paper we compare and evaluate these luminol chemiluminescence demonstrations, and propose simple adaptations of the demonstrations to demonstrate basic chemical fundamentals.},
\r
3519 keywords = {chemical education
\r
3520 chemiluminescence (CL)
\r
3522 Royal Australian Chemical Institute; RACI},
\r
3526 @article{Carlson1985_SIAM,
\r
3527 author = {Carlson, R. E. and Fritsch, F. N.},
\r
3528 title = {Monotone piecewise bicubic interpolation},
\r
3529 journal = {SIAM J. Numer. Anal.},
\r
3531 pages = {386-400},
\r
3535 @article{Carnicer1995_ACM,
\r
3536 author = {Carnicer, J.},
\r
3537 title = {Multivariate convexity preserving interpolation by smooth functions},
\r
3538 journal = {Adv. Comput. Mathem.},
\r
3540 pages = {395-404},
\r
3544 @article{Carnicer1996_NA,
\r
3545 author = {Carnicer, J. and Floater, M.S.},
\r
3546 title = {Piecewise linear interpolants to Lagrange and Hermite convex scattered data},
\r
3547 journal = {Numerical Algorithms},
\r
3549 pages = {345-364},
\r
3553 @book{Castillo2008_book,
\r
3554 author = {Castillo, O. and Melin, P.},
\r
3555 title = {Type-2 Fuzzy Logic Theory and Applications},
\r
3556 publisher = {Springer},
\r
3557 address = {Berlin},
\r
3561 author = {Castillo, P. A. and Merelo, J. J. and Prieto, A. and Rivas, V. and Romero, G.},
\r
3562 title = {G-Prop: Global optimization of multilayer perceptrons using GAs},
\r
3563 journal = {Neurocomputing},
\r
3565 pages = {149-163},
\r
3566 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
3567 Reprint available from: Castillo PA Univ Granada, Fac Ciencias, Dept Arquitectura and Tecnol Comp Campus Fuentenueva S-N E-18071 Granada Spain Univ Granada, Fac Ciencias, Dept Arquitectura and Tecnol Comp E-18071 Granada Spain Univ Jaen, Excuela Politecn Super, Dept Informat Jaen 23071 Spain 0010 Neurocomputing},
\r
3568 abstract = {A general problem in model selection is to obtain the right parameters that make a model fit observed data. For a multilayer perceptron (MLP) trained with back-propagation (BP), this means finding appropiate layer size and initial weights. This paper proposes a method (G-Prop, genetic backpropagation) that attempts to solve that problem by combining a genetic algorithm (GA) and BP to train MLPs with a single hidden layer. The GA selects the initial weights and changes the number of neurons in the hidden layer through the application of specific genetic operators. G-Prop combines the advantages of the global search performed by the GA over the MLP parameter space and the local search of the BP algorithm. The application of the G-Prop algorithm to several real-world and benchmark problems shows that MLPs evolved using G-Prop are smaller and achieve a higher level of generalization than other perceptron training algorithms, such as Quick-Propagation or RPROP, and other evolutive algorithms, such as G-LVQ. (C) 2000 Elsevier Science B,V. All rights reserved. [References: 46] 46},
\r
3569 keywords = {Genetic algorithms. Neural networks. Optimization. Learning.
\r
3571 Genetic algorithms. Neural networks.
\r
3572 AI, Robotics, and Automatic Control in Current Contents(R)/Engineering,
\r
3573 Computing and Technology.
\r
3575 Reprint available from: Castillo PA. Univ Granada, Fac Ciencias, Dept
\r
3576 Arquitectura and Tecnol Comp, Campus Fuentenueva S-N, E-18071 Granada,
\r
3581 @article{Cederman2008_LNCS,
\r
3582 author = {Cederman, D. and Tsigas, P.},
\r
3583 title = {A Practical Quicksort Algorithm for Graphics Processors},
\r
3586 pages = {246 - 258},
\r
3590 @article{Cederman2009_ACM,
\r
3591 author = {Cederman, D. and Tsigas, P.},
\r
3592 title = {GPU-Quicksort: A Practical Quicksort Algorithm for Graphics Processors},
\r
3593 journal = {ACM Journal of Experimental Algorithmics },
\r
3595 pages = {1.4.1-1.4.24},
\r
3599 @article{Cerioli2010_JCGS,
\r
3600 author = {Cerioli, A.},
\r
3601 title = {Multivariate Outlier Detection With High-Breakdown Estimators},
\r
3602 journal = {Journal of the American Statistical Association},
\r
3605 pages = {147-156},
\r
3609 author = {Chambers, Lance},
\r
3610 title = {Practical handbook of genetic algorithms},
\r
3611 publisher = {CRC Press},
\r
3612 address = {Boca Raton},
\r
3614 edited by Lance Chambers.
\r
3615 Genetic algorithms.
\r
3616 1 computer disk (3 1/2 in.)
\r
3617 v. 1. Applications -- v. 2. New frontiers.
\r
3618 Includes bibliographical references and index.
\r
3619 System requirements for accompanying computer disk: Macintosh to use code segments; ability to read PC-formatted diskette (possibilities include System 7.5 or PC Access); diskette contains working applications and code segments in ASCII.},
\r
3620 keywords = {Genetic algorithms.},
\r
3624 author = {Chambers, Lance},
\r
3625 title = {The practical handbook of genetic algorithms: applications},
\r
3626 publisher = {Chapman and Hall/CRC},
\r
3627 address = {Boca Raton, Fla.},
\r
3631 edited by Lance Chambers.
\r
3632 Genetic algorithms.
\r
3633 Includes bibliographical references and index.},
\r
3634 keywords = {Genetic algorithms.},
\r
3638 author = {Chang, G. and Guida, W.C. and Still, W.C.},
\r
3639 title = {An internal coordinate Monte Carlo method for searching conformational space},
\r
3640 journal = {Journal of the American Chemical Society},
\r
3643 pages = {4379-4386},
\r
3644 keywords = {molecular mechanics (MM)
\r
3645 molecular structure
\r
3647 conformational analysis},
\r
3651 @book{Chapelle2006_book,
\r
3652 author = {Chapelle, O. and Sch\"olkopf, B. and Zien, A.},
\r
3653 title = {Semi-Supervised Learning},
\r
3654 publisher = {MIT Press},
\r
3655 address = {Cambridge, MA},
\r
3659 @article{Chateauneuf-Jaffray-00,
\r
3660 author = {Chateauneuf, A. and Jaffray, J.Y.},
\r
3661 title = {Some characterizations of lower probabilities and other monotone capacities through the use of {M}\"obius inversion},
\r
3662 journal = {Mathematical Social Sciences},
\r
3664 pages = {263-283},
\r
3668 @article{Chavent2004_CS,
\r
3669 author = {Chavent, M. and Saracco, J.},
\r
3670 title = {On central tendency and dispersion measures for intervals and hypercubes},
\r
3671 journal = {Communications in Statistics --Theory and Methods},
\r
3673 pages = {1471-1482},
\r
3677 @article{Chen1995_FSS,
\r
3678 author = {Chen, J.E. and Otto, K.N.},
\r
3679 title = {Constructing membership functions using interpolation and measurement theory},
\r
3680 journal = {Fuzzy Sets and Systems},
\r
3682 pages = {313-327},
\r
3686 author = {Chen, Luonan and Aihara, Kazuyuki},
\r
3687 title = {Global searching ability of chaotic neural networks},
\r
3688 journal = {IEEE Transactions on Circuits and Systems-I: Fundamental Theory...},
\r
3692 abstract = {This paper aims to theoretically prove that both transiently chaotic neural networks (TCNN's) and discrete-time recurrent neural networks (DRNN's) have a global attracting set which ensures that the neural networks carry out a global search. A significant property of TCNN's and DRNN's is that their attracting sets are generated by a bounded fixed point, which is the unique repeller when absolute values of the self-feedback connection weights in TCNN and the difference time in DRNN are sufficiently large. We provide sufficient conditions under which the neural networks have a trapping region where the global unstable set of the fixed point actually evolves into a global attracting set. We also prove the coexistence of an attracting set and a transversal homoclinic orbit in the same region, which may result in complicated chaotic dynamics. For combinatorial optimization with neural networks, this paper shows that TCNN's and DRNN's do have global searching ability and their attracting set encloses not only local minima, but also global minima for the commonly used objective functions. To demonstrate the theoretical results of this paper, several numerical simulations are provided as illustrative examples.
\r
3693 Index Terms - Attracting set, chaos, chaotic simulated annealing, global optimization, global search, homoclinic orbit, neural network, snap-back repeller, strange attractor.},
\r
3694 keywords = {Neural networks Research
\r
3695 Chaos theory Usage
\r
3696 Simulated annealing (Mathematics) Usage
\r
3697 Mathematical optimization Technique
\r
3698 Database searching Technique},
\r
3702 @book{Chen1992_book,
\r
3703 author = {Chen, S.-J. and Hwang, C.-L.},
\r
3704 title = {Fuzzy Multiple Attribute Decision Making: Methods and Applications},
\r
3705 publisher = {Springer},
\r
3706 address = {Berlin, Heidelberg},
\r
3710 @article{Chen2001_FSS,
\r
3711 author = {Chen, T.-Y. and Wang, J.-C. },
\r
3712 title = {Identification of [lambda]-fuzzy measures using sampling design and genetic algorithms},
\r
3713 journal = {Fuzzy Sets and Systems},
\r
3715 pages = {321-341},
\r
3719 @article{Chen2000_TMSS,
\r
3720 author = {Chen, T.-Y. and Wang, J.-C. and Tzeng, G.H.},
\r
3721 title = { Identification of general fuzzy measures by genetic algorithms based on partial information},
\r
3722 journal = {IEEE Trans. on Syst., Man and Cybernetics, B},
\r
3724 pages = {517 - 528},
\r
3728 author = {Chen, Y.-P. P.},
\r
3729 title = {Bioinformatics},
\r
3730 publisher = {Australian Computer Society},
\r
3731 address = {Sydney},
\r
3733 series = {Conferences in Research and Practice in Information Technology},
\r
3734 keywords = {Asia-Pacific Bioinformatics Conference (APBC)
\r
3743 @book{Cheney2004_book,
\r
3744 author = {Cheney, E. W. and Kincaid, D.},
\r
3745 title = {Numerical Mathematics and Computing / Ward Cheney, David },
\r
3746 publisher = {Brooks/Cole},
\r
3747 address = {Belmont, CA.},
\r
3751 @book{Cherkassky1998_book,
\r
3752 author = {Cherkassky, V. and Mulier, F},
\r
3753 title = {Learning from Data},
\r
3754 publisher = {Wiley},
\r
3755 address = {New York},
\r
3759 author = {Cherruault, Y.},
\r
3760 title = {On a Reducing Space-Filling Transformation - Application to Global Optimization},
\r
3761 journal = {Kybernetes},
\r
3765 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
3766 Reprint available from: Cherruault Y UNIV PARIS 06 PARIS FRANCE},
\r
3767 abstract = {Introduces new reducing transformation which allows expression of n variables in function of a single one. This allows densification of the space R-n and the quality of the densification can be estimated. Applications to global optimization problems lead to the optimization of one variable function and the time of calculation for obtaining a global optimum can be estimated. [References: 8]},
\r
3768 keywords = {Cybernetics. Globalization. Optimization.
\r
3769 Decomposition methods. Convergence.
\r
3770 Ai, robotics and automatic control.},
\r
3774 author = {Chesnut, D.B.},
\r
3775 title = {The ab initio computation of nuclear magentic resonance chemical shielding},
\r
3776 booktitle = {Reviews in Computational Chemistry},
\r
3777 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
3778 publisher = {VCH Publishers},
\r
3779 address = {New York},
\r
3781 pages = {245-297},
\r
3782 keywords = {ab initio quantum calculations
\r
3783 nuclear magnetic resonance; NMR
\r
3788 author = {Chew, Soo Hong and Zheng, Quan},
\r
3789 title = {Integral global optimization: theory, implementation, and applications},
\r
3790 publisher = {Springer-Verlag},
\r
3791 address = {Berlin; New York},
\r
3793 Chew Soo Hong, Zheng Quan.
\r
3794 Lecture notes in economics and mathematical systems; 298.
\r
3795 Bibliography: p. [177]-179.},
\r
3796 keywords = {Mathematical optimization.
\r
3797 Nonlinear programming.},
\r
3801 @article{Chiang2002,
\r
3802 author = {Chiang, K. S. and Wong, C.H. and Cheng, S.Y. and Chan, H.P.},
\r
3803 title = {Refractive-index profiling of graded-index planar waveguides from effective indexes measured with different external refractive indexes},
\r
3804 journal = {J. of Lightwave Technology},
\r
3806 pages = {1412-1417},
\r
3810 author = {Chiang, K. S. and Wong, C.L. and Chan, H.P. and Chow, Y.T},
\r
3811 title = {Reftractive-index profiling of graded-index planar waveguides from effective indexes measured for both mode types and at different wavelengths},
\r
3812 journal = {J. of Lightwave Technology},
\r
3814 pages = {827-832},
\r
3818 @inproceedings{Chiclana2000_IPMU,
\r
3819 author = {Chiclana, F. and Herrera, F. and Herrera-Viedma, E.},
\r
3820 title = {The ordered weighted geometric operator: properties and applications},
\r
3821 booktitle = {8th Int. Conf. on Information Processing and Management of Uncertainty in Knowledge-based Systems},
\r
3822 address = {Madrid},
\r
3823 pages = {985-991},
\r
3827 @article{Choquet-53,
\r
3828 author = {Choquet, G.},
\r
3829 title = {Theory of Capacities},
\r
3830 journal = {Ann. Inst. Fourier},
\r
3832 pages = {1953-1954},
\r
3836 author = {Christendat, D. and Yee, A. and Dharamsi, A. and Kluger, Y. and Savchenko, A. and Cort, J.R. and Booth, V. and Mackereth, C.D. and Saridakis, V. and Ekiel, I. and Kozlov, G. and Maxwell, K.L. and Wu, N. and McIntosh, L.P. and Gehring, K. and Kennedy, M.A. and Davidson, A.R. and Pai, E.F. and Gerstein, M. and Edwards, A.M. and Arrowsmith, C.H.},
\r
3837 title = {Structural proteomics of an archaeon},
\r
3838 journal = {Nature Structural Biology},
\r
3841 pages = {903-909},
\r
3842 abstract = {A set of 424 nonmembrane proteins from Methanobacterium thermoautotrophicum were cloned, expressed and purified for structural studies. Of these, similar to 20% were found to be suitable candidates for X-ray crystallographic or NMR spectroscopic analysis without further optimization of conditions, providing an estimate of the number of the most accessible structural targets in the proteome. A retrospective analysis of the experimental behavior of these proteins suggested some simple relations between sequence and solubility. implying that data bases of protein properties will be useful in optimizing high throughput strategies. Of the first 10 structures determined, several provided clues to biochemical functions that were not detectable from sequence analysis, and in many cases these putative functions could be readily confirmed by biochemical methods. This demonstrates that structural proteomics is feasible and can play a central role in functional genomics.},
\r
3843 keywords = {journal
\r
3854 @book{Christofides1975_book,
\r
3855 author = {Christofides, N.},
\r
3856 title = {Graph Theory - An Algorithmic Approach},
\r
3857 publisher = {Academic Press},
\r
3858 address = {New York},
\r
3863 author = {Chu, P.L.},
\r
3864 title = {Nondestructive measurement of index profile of an optical-fibre preform},
\r
3865 journal = {Electron. Lett.},
\r
3867 pages = {736-738},
\r
3871 @book{Chvatal1983_book,
\r
3872 author = {Chvatal, V.},
\r
3873 title = {Linear programming },
\r
3874 publisher = {W.H. Freeman},
\r
3875 address = {New York},
\r
3879 author = {Ciccotti, C. and Ferrario, M. and Ryckaert, J.-P.},
\r
3880 title = {Molecular dynamics of rigid molecules in cartesian coordinates: A general formulation},
\r
3881 journal = {Mol. Phys.},
\r
3884 pages = {1253-1264},
\r
3885 keywords = {constrained dynamics; holonomic constraints},
\r
3889 author = {Ciccotti, C. and Ryckaert, J.-P.},
\r
3890 title = {Molecular dynamics simulations of rigid molecules},
\r
3891 journal = {Comput. Phys. Reports},
\r
3893 pages = {345-392},
\r
3894 keywords = {constrained dynamics; holonomic constraints},
\r
3898 author = {Ciriani, Tito A. and Leachman, Robert C.},
\r
3899 title = {Optimization in industry: mathematical programming and modeling techniques in practice},
\r
3900 publisher = {Wiley and Sons},
\r
3901 address = {Chichester, England; New York},
\r
3902 note = {92021215 //r93
\r
3903 edited by Tito A. Ciriani and Robert C. Leachman.
\r
3904 Proceedings of the 1991 IBM Europe Institute seminar.
\r
3905 Includes bibliographical references and index.},
\r
3906 keywords = {Programming (Mathematics) Congresses.
\r
3907 Mathematical models Congresses.},
\r
3912 author = {Cizek, P.},
\r
3913 title = {General Trimmed Estimation: Robust Approach to Nonlinear and Limited Dependent Variable Models},
\r
3914 abstract = {High breakdown-point regression estimators protect against large errors and data con- tamination. We generalize the concept of trimming used by many of these robust estima- tors, such as the least trimmed squares and maximum trimmed likelihood, and propose a general trimmed estimator, which renders robust estimators applicable far beyond the standard (non)linear regression models. We derive here the consistency and asymptotic distribution of the proposed general trimmed estimator under mild B-mixing conditions and demonstrate its applicability in nonlinear regression and limited dependent variable models.},
\r
3918 @article{Cizek2008,
\r
3919 author = {Cizek, P.},
\r
3920 title = {Efficient robust estimation of time-series regression models},
\r
3921 journal = {Applications of Mathematics},
\r
3924 pages = {267-279},
\r
3925 abstract = {The paper studies a new class of robust regression estimators based on the two-step least weighted squares (2S-LWS) estimator which employs data-adaptive weights determined from the empirical distribution or quantile functions of regression residuals obtained from an initial robust fit. Just like many existing two-step robust methods, the proposed 2S-LWS estimator preserves robust properties of the initial robust estimate. However, contrary to the existing methods, the first-order asymptotic behavior of 2S-LWS is fully independent of the initial estimate under mild conditions. We propose data-adaptive weighting schemes that perform well both in the cross-section and time-series data and prove the asymptotic normality and efficiency of the resulting procedure. A simulation study documents these theoretical properties in finite samples.},
\r
3929 @article{Cizek2008,
\r
3930 author = {Cizek, P.},
\r
3931 title = {Semiparametric Robust Estimation of Truncated and Censored Regression Models},
\r
3932 journal = {IDEAS},
\r
3933 abstract = {Many estimation methods of truncated and censored regression models such as the maximum likelihood and symmetrically censored least squares (SCLS) are sensitive to outliers and data contamination as we document. Therefore, we propose a semipara- metric general trimmed estimator (GTE) of truncated and censored regression, which is highly robust and relatively imprecise. To improve its performance, we also propose data-adaptive and one-step trimmed estimators. We derive the robust and asymptotic properties of all proposed estimators and show that the one-step estimators (e.g., one-step SCLS) are as robust as GTE and are asymptotically equivalent to the original estimator (e.g., SCLS). The infinite-sample properties of existing and proposed estimators are studied by means of Monte Carlo simulations.},
\r
3938 author = {Cizek, P.},
\r
3939 title = {Generalized Methods of Trimmed Moments},
\r
3941 abstract = {High breakdown-point regression estimators protect against large errors and data contamination. We adapt and generalize the concept of trimming used by many of these robust estimators so that it can be employed in the context of the generalized method of moments. The proposed generalized method of trimmed moments (GMTM) offers a globally robust estimation approach (contrary to existing only locally robust estimators) applicable in econometric models identified and estimated using moment conditions. We derive the consistency and asymptotic distribution of GMTM in a general setting, propose a robust test of overidentifying conditions, and demonstrate the application of GMTM in the instrumental variable regression. We also compare the finite-sample performance of GMTM and existing estimators by means of Monte Carlo simulation.},
\r
3945 @article{Cizek2006,
\r
3946 author = {Cížek, P},
\r
3947 title = {Efficient robust estimation of regression models},
\r
3948 journal = {CentER},
\r
3950 number = {October},
\r
3952 abstract = {This paper introduces a new class of robust regression estimators. The proposed twostep
\r
3953 least weighted squares (2S-LWS) estimator employs data-adaptive weights determined
\r
3954 from the empirical distribution, quantile, or density functions of regression residuals obtained
\r
3955 from an initial robust fit. Just like many existing two-step robust methods, the
\r
3956 proposed 2S-LWS estimator preserves robust properties of the initial robust estimate. However
\r
3957 contrary to existing methods, the first-order asymptotic behavior of 2S-LWS is fully
\r
3958 independent of the initial estimate under mild conditions; most importantly, the initial estimator
\r
3959 does not need to be \sqrt{n} consistent. Moreover, we prove that 2S-LWS is asymptotically
\r
3960 normal under ¯-mixing conditions and asymptotically efficient if errors are normally
\r
3961 distributed. A simulation study documents these theoretical properties in finite samples;
\r
3962 in particular, the relative efficiency of 2S-LWS can reach 85–90% in samples of several tens
\r
3963 of observations under various distributional models.},
\r
3967 author = {Cladera, A. and Gomez, E. and Estela, J.M. and Cerda, V.},
\r
3968 title = {Effect of Variables Influencing S-1/2 in Sequential Injection Analysis - Extrapolability of S-1/2 Based Results Between SIA Designs},
\r
3969 journal = {Talanta},
\r
3972 pages = {1667-1674},
\r
3973 note = {This paper reports a study of the effect of instrumental, physical and chemical variables on S1/2 and the geometry of the dispersion profiles for SIA. The concentration of bromothymol blue and its ionic strength were observed to have an effect on S1/2, methylene blue and malachite green did not result in the same effect. Decreasing flow rates resulted in increasing S1/2 values. The greater the diameter and length of the reaction loop, the greater the S1/2. The path reavelled inside the holding coil greatly affected dispersion as a result of longer distance travelled.},
\r
3974 abstract = {The influence of variables including ionic strength, propulsion rate and instrumental design parameters on dispersion in a sequential injection analysis system was studied via S-1/2 and several other parameters related to the dispersion profile. The influence of such parameters on a real system was evaluated in the reaction of Fe(II) with o-phenanthroline by optimizing various instrumental designs using the simplex method and comparing the results. [References: 6]},
\r
3975 keywords = {Sequential injection analysis (SIA)/ S-1/2},
\r
3979 author = {Clarke, D.L. and Oref, I. and Gilbert, R.G. and Lim, K.F.},
\r
3980 title = {Collisional energy transfer in highly excited molecules: Calculations of the dependence on temperature and internal, rotational and translational energy},
\r
3981 journal = {J. Chem. Phys.},
\r
3984 pages = {5983-5998},
\r
3985 keywords = {azulene
\r
3987 collisional energy transfer (CET)
\r
3988 rotational energy transfer (RET)
\r
3989 quasiclassical trajectory (QCT)},
\r
3994 author = {Clarke, F.H.},
\r
3995 title = {Optimization and Nonsmooth Analysis},
\r
3996 publisher = {John Wiley},
\r
3997 address = {New York},
\r
4001 @article{Clements1990_SIAM,
\r
4002 author = {Clements, J.C.},
\r
4003 title = {Convexity-preserving piecewise rational cubic interpolation},
\r
4004 journal = {SIAM J. Numer. Anal.},
\r
4006 pages = {1016-1023},
\r
4010 @article{Clements1990,
\r
4011 author = {Clements, J.C.},
\r
4012 title = {Convexity-Preserving Piecewise Rational Cubic Interpolation},
\r
4013 journal = {SIAM Journal on Numerical Analysis},
\r
4016 pages = {1016-1023},
\r
4020 author = {Coetzee, Frans M. and Stonick, Virginia L.},
\r
4021 title = {On the uniqueness of weights in single-layer perceptrons},
\r
4022 journal = {IEEE Transactions on Neural Networks},
\r
4025 pages = {p318(8)},
\r
4026 abstract = {In this paper the geometric formulation of the single layer perceptron weight optimization problem previously described in [1] and [2] is combined with results [3]-[7] on nonconvex set projections to describe sufficient conditions for uniqueness of weight solutions. It is shown that the perceptron data surface is pseudoconvex and has infinite folding, allowing for the specification of a region of desired vectors having unique projections purely in terms of the local curvature of the data surface. No information is therefore required regarding the global curvature or size of the data surface. These results in principle allow for a posteriori evaluation of whether a weight solution is unique or globally optimal, and for a priori scaling of desired vector values to ensure uniqueness, through analysis of the input data. The practical applicability of these results from a numerical perspective is evaluated on some carefully chosen examples.},
\r
4027 keywords = {Perceptrons Models
\r
4028 Neural networks Models
\r
4029 Mathematical optimization Analysis},
\r
4033 @book{Cohen1996_book,
\r
4034 author = {Cohen, N.C.},
\r
4035 title = {Guidebook on Molecular Modeling in Drug Design},
\r
4036 publisher = {Academic Press},
\r
4037 address = {San Diego},
\r
4041 author = {Cohen, N.C. and Colin, P. and Lemoine, G.},
\r
4042 title = {Script: interactive molecular geometrical treatments on the basis of computer-drawn chemical formula},
\r
4043 journal = {Tetrahedron},
\r
4046 pages = {1711-1721},
\r
4047 abstract = {SCRIPT is a conversational computer program which reveals the conformers and their relative energies for a given organic compound. The exploration of the conformational potential surface is based on a molecular mechanics model using a strain energy minimization criterion. The description of the investigated molecule consists of the drawing of its chemical formula on a cathode ray tube. The perception of the molecule through transforming the chemical formula into all the necessary molecular descriptors (topologic, geometric and energetic) is entirely automatic. The logical basis for the generation of the characteristic starting points representing all the possible conformers of the molecule is presented, and some specific algorithms of general utility in the conformational analysis of cyclic moieties are developed. Some features of the program are shown in a study of 17 substituted (Delta)14-unsaturated steroids in conjunction with Toromanoff's theory of the steric course of the cis addition to cyclo-olefins. Our calculations show that bulky substituents at 17(alpha) lead to a more stable quasi-cis C/D conformation which cannot be constructed with standard Dreiding models and, to our knowledge, would be the first example of such an unusual geometry of the C/D moiety of (Delta)14-steroids. },
\r
4048 keywords = {journal},
\r
4052 author = {Collins, M.A. and Lim, K.F. and Linhananta, A.},
\r
4053 title = {Application of interpolated potential energy surfaces to collisional energy transfer},
\r
4054 booktitle = {Conference on Physical Chemistry},
\r
4055 address = {Christchurch, New Zealand},
\r
4056 abstract = {The prediction of collisional energy transfer (CET) rates is important for the modelling of combustion and atmospheric processes. In particular, computational simulations have the ability to obtain two-dimensional (E,J) data which are required for accurate master equation modelling, but these simulations are handicapped by the lack of reliable potential energy surfaces (PESs).
\r
4058 We have developed a method for interpolation of ab initio molecular PESs, where the ab initio data points are chosen deterministically, but in a quasi-random manner with importance sampling. The PESs, thus constructed, have proven to be very successful for classical and quantum simulations of reacting systems, where there is strong PES coupling between the various internal coordinates.
\r
4060 The use of these interpolated ab initio PESs for CET simulations presents interesting theoretical challenges, since the PES can be separated into an intramolecular part with strong coupling, and an intermolecular part with weak coupling. Here we present methodology for the interpolation of separable potential energy surfaces and application to investigation of CET between a simple hydrocarbon fuel molecule and inert bath gas.},
\r
4061 keywords = {Royal Australian Chemical Institute (RACI)
\r
4062 Royal Society of Chemistry (RSC)
\r
4063 New Zealand Institute of Chemistry (NZIC)},
\r
4067 author = {Combet, C. and Jambon, M. and Deleage, G. and Geourjon, C.},
\r
4068 title = {Geno3D: automatic comparative molecular modelling of protein},
\r
4069 journal = {Bioinformatics},
\r
4072 pages = {213-214},
\r
4073 note = {Geno3D (http://geno3d-pbil.ibcp.fr) is an automatic web server for protein molecular modelling. Starting with a query protein sequence, the server performs the homology modelling in six successive steps: (1) identify homologous proteins with known 3D structures by using PSI-BLAST; (5) provide the user all potential templates through a very convenient user interface for target selection; (iii) perform the alignment of both query and subject sequences; (iv) extract geometrical restraints (dihedral angles and distances) for corresponding atoms between the query and the template; (v) perform the 3D construction of the protein by using a distance geometry approach and (vi) finally send the results by e-mail to the user.
\r
4074 Availability: Free to academic users},
\r
4075 keywords = {journal},
\r
4079 @article{Hawkins1993_SPL,
\r
4080 author = {Cook, R.D. and Hawkins, D. M. and Weisberg, S.},
\r
4081 title = {Exact Computation of the Robust Multivariate Minimum Volume Ellipsoid Estimator},
\r
4082 journal = {Statistics and Probability Letters},
\r
4084 pages = {213-218},
\r
4088 @article{Cooper1995_jcm,
\r
4089 author = {Cooper, D.A.},
\r
4090 title = {Learning Lipschitz functions},
\r
4091 journal = {Int. J. of Computer Mathematics},
\r
4097 author = {Cootes, A.P. and Curmi, P.M.G. and Torda, A.E.},
\r
4098 title = {Automated protein design and sequence optimisation: Scoring functions and the search problem},
\r
4099 journal = {Curr. Prot. Pept. Sci.},
\r
4101 pages = {255-271},
\r
4105 author = {Cootes, A.P. and Curmi, P.M.G. and Torda, A.E.},
\r
4106 title = {Biased Monte Carlo optimisation of protein sequences},
\r
4107 journal = {Journal of Chemical Physics},
\r
4109 pages = {2849-2496},
\r
4113 author = {Cormen, Thomas H. and Leiserson, Charles Eric and Rivest, Ronald L.},
\r
4114 title = {Introduction to algorithms},
\r
4115 publisher = {MIT Press;
\r
4117 address = {Cambridge, Mass.
\r
4119 series = {MIT electrical engineering and computer science series.},
\r
4120 note = {89013027 //r91
\r
4121 Thomas H. Cormen, Charles E. Leiserson, Ronald L. Rivest.
\r
4122 Includes bibliographcal references (p. [987]-996) and index.
\r
4124 keywords = {Computer programming.
\r
4125 Computer algorithms.},
\r
4130 author = {Cormen, T.H. and Leiserson, C.E. and Rivest, R.L. and Stein, C.},
\r
4131 title = {Introduction to Algorithms},
\r
4132 publisher = {MIP Press},
\r
4137 @article{Cost1993_ML,
\r
4138 author = {Cost, S. and Salzberg, S.},
\r
4139 title = {A Weighted Nearest Neighbor Algorithm for Learning with Symbolic Features},
\r
4140 journal = {Machine Learning},
\r
4146 @article{Constantini1990_SIAM,
\r
4147 author = {Costantini, P. and Fontanella, F.},
\r
4148 title = {Shape-preserving bivariate interpolation},
\r
4149 journal = {SIAM J. Numer. Anal.},
\r
4151 pages = {488-506},
\r
4155 @article{Constantini1996_CAGD1,
\r
4156 author = {Costantini, P. and Manni, C.},
\r
4157 title = {A bicubic shape-preserving blending scheme},
\r
4158 journal = {Computer Aided Geometric Design},
\r
4160 pages = {307-331},
\r
4164 @article{Constantini1996_JCAM1,
\r
4165 author = {Costantini, P. and Manni, C.},
\r
4166 title = {Comonotone parametric C1 interpolation of nongridded data},
\r
4167 journal = {J. Comp. Appl. Math.},
\r
4169 pages = {147-169},
\r
4173 @article{Constantini1996_CAGD,
\r
4174 author = {Costantini, P. and Manni, C.},
\r
4175 title = {Monotonicity-preserving interpolation of nongridded data},
\r
4176 journal = {Computer Aided Geometric Design},
\r
4178 pages = {467-497},
\r
4182 @article{Constantini1996_JCAM,
\r
4183 author = {Costantini, P. and Manni, C.},
\r
4184 title = {On a class of polynomial triangular macro-elements},
\r
4185 journal = {J. Comp. Appl. Math.},
\r
4191 @article{Constantini1999_CAGD,
\r
4192 author = {Costantini, P. and Manni, C.},
\r
4193 title = {A local shape-preserving interpolation scheme for scattered data},
\r
4194 journal = {Computer Aided Geometric Design},
\r
4196 pages = {385-405},
\r
4200 @book{Cottle1992_book,
\r
4201 author = {Cottle, R.W. and Pang, J.-S. and Stone, R.E.},
\r
4202 title = {The Linear Complementarity Problem },
\r
4203 publisher = {Academic Press},
\r
4204 address = {San Diego, CA},
\r
4208 @article{Cover1967,
\r
4209 author = {Cover, T. and Hart, P.},
\r
4210 title = {Nearest neighbor pattern classification},
\r
4211 journal = {Information Theory, IEEE Transactions on},
\r
4215 keywords = {Pattern classification},
\r
4219 author = {Cramer, C.J.},
\r
4220 title = {Essentials of Computational Chemistry: Theories and Models},
\r
4221 publisher = {John Wiley and Sons},
\r
4222 address = {Chichester},
\r
4223 abstract = {What are Theory, Computation and Modeling?
\r
4224 Molecular Mechanics
\r
4225 Simulations of Molecular Ensembles
\r
4226 Foundations of Molecular Orbital Theory
\r
4227 Semiempirical Implementations of Molecular Orbital Theory
\r
4228 Ab Initio Implementations of Hartree-Fock Molecular Orbital Theory
\r
4229 Including Electron Correlation in Molecular Orbital Theory
\r
4230 Density Functional Theory
\r
4231 Charge Distribution and Spectroscopic Properties
\r
4232 Thermodynamic Properties
\r
4233 Implicit Models for Condensed Phases
\r
4234 Explicit Models for Condensed Phases
\r
4235 Hybrid Quantal/Classical Models
\r
4236 Excited Electronic States
\r
4237 Adiabatic Reaction Dynamics
\r
4238 Appendix A Acronym Glossary
\r
4239 Appendix B Symmetry and Group Theory
\r
4240 Appendix C Spin Algebra
\r
4241 Appendix D Orbital Localization},
\r
4242 keywords = {ab initio quantum calculations
\r
4243 classical trajectory (CT)
\r
4244 computer-aided instruction (CAI)
\r
4245 density-functional theory; DFT
\r
4248 molecular mechanics (MM)
\r
4249 molecular modelling
\r
4250 molecular orbital (MO) theory
\r
4251 potential energy surface (PES)
\r
4253 self-consistent field; SCF
\r
4254 semiempirical theory
\r
4257 transition state theory (TST)},
\r
4261 author = {Cranor, L.},
\r
4262 title = {Declared-Strategy Voting: An Instrument for Group Decision Making},
\r
4263 university = {Washington University},
\r
4268 @article{CraWahba1979,
\r
4269 author = {Craven, P. and Wahba, G.},
\r
4270 title = {Smoothing noisy data with spline functions},
\r
4271 journal = {Numerische Mathematik},
\r
4274 pages = {377-403},
\r
4275 keywords = {Mathematics and Statistics},
\r
4279 @article{Wahba1975,
\r
4280 author = {Craven, Peter and Wahba, Grace},
\r
4281 title = {Smoothing noisy data with spline functions},
\r
4282 journal = {Numerische Mathematik},
\r
4285 pages = {377-403},
\r
4286 keywords = {Mathematics and Statistics},
\r
4290 author = {Crippen, G.M.},
\r
4291 title = {The effect of distance constraints on macromolecular conformation. I. The effectiveness of the experimental studies on tobacco mosaic virus protein},
\r
4292 journal = {Int. J. Pept. Prot. Res.},
\r
4294 pages = {320-326},
\r
4295 keywords = {distance geometry
\r
4297 molecular conformation
\r
4298 molecular structure},
\r
4302 author = {Crippen, G.M. and Havel, T.F.},
\r
4303 title = {Stable calculation of coordinates from distance information},
\r
4304 journal = {Acta Crystallogr., Sect. A},
\r
4307 keywords = {journal
\r
4310 molecular conformation
\r
4311 molecular structure},
\r
4315 author = {Crippen, G.M. and Havel, T.F.},
\r
4316 title = {Distance Geometry and Molecular Conformation},
\r
4317 publisher = {Research Studies Press},
\r
4318 address = {Taunton (UK)},
\r
4320 series = {Chemometrics Research Studies Series},
\r
4321 keywords = {distance geometry
\r
4323 molecular conformation
\r
4325 mathematical models},
\r
4329 author = {Croasmun, W.R. and Carlson, R.M.K.},
\r
4330 title = {Two-dimensional NMR Spectroscopy: Applications for Chemists and Biochemists},
\r
4331 publisher = {VCH},
\r
4332 address = {New York},
\r
4334 series = {Methods in Stereochemical Analysis},
\r
4335 note = {1. Introduction to Multidimensional NMR Methods / George A. Gray
\r
4336 2. Experimental Aspects of Two-Dimensional NMR / William E. Hull
\r
4337 3. Proton-Detected Heteronuclear and Multidimensional NMR / Christian Griesinger, Harald Schwalbe, Jurgen Schleucher and Michael Sattler
\r
4338 4. Computer-Aided Analysis of Multidimensional NMR Spectra / Hans Robert Kalbitzer
\r
4339 5. NMR of Peptides / Horst Kessler and Stephan Seip
\r
4340 6. Protein Structure Calculation Using NMR Restraints / H. Jane Dyson and Peter E. Wright
\r
4341 7. Studies of Nucleic Acid Structures Based on NMR Results / Igor Goljer and Philip H. Bolton
\r
4342 8. Two-Dimensional and Related NMR Methods in Structural Analyses of Oligosaccharides and Polysaccharides / Janusz Dabrowski
\r
4343 9. Steroid Structural Analysis by Two-Dimensional NMR / William R. Croasmun and Robert M. K. Carlson
\r
4344 10. Applications of Two-Dimensional NMR to the Characterization of Synthetic Organic Materials / Peter L. Rinaldi.
\r
4345 11. Two-Dimensional NMR in Natural Products and Pharmaceutical Chemistry / Gary E. Martin and Ronald C. Crouch},
\r
4346 keywords = {nuclear magnetic resonance (NMR)
\r
4351 author = {Cruz, G. P. A. and Beliakov, G.},
\r
4352 title = {Approximate Reasoning and Interpretation of Laboratory Tests in Medical Diagnostics},
\r
4353 journal = {Cybernetics and Systems},
\r
4356 pages = {713-729},
\r
4357 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
4358 Reprint available from: Beliakov G POB 4027 MULGRAVE 3170 AUSTRALIA INST NACL CANCEROL BOGOTA COLOMBIA 0008},
\r
4359 abstract = {In many real-world domains, such as medicine, human knowledge is by nature imprecise. As a consequence, the expert systems oriented to these domains must have specific tools to deal with the uncertainty. A commonly used approach is to equip the expert system with a computational capability to analyze the transmission of uncertainty from the premises to the conclusion. The theory of fuzzy sets provides a systematic framework for dealing with fuzzy quantifiers, such as many, few, and most, and linguistic variables like normal, increased, tall, small, and old. In this framework the results of laboratory tests (we refer to the area of medical diagnostics) that are precise may be interpreted in the terms of fuzzy propositions by means of membership functions. This approach permits the expert system to employ the same inference engine used to deal with the imprecise information provided by physicians. In this paper we describe a method for the construction of the membership functions using the statistical data and the range of normal values. This information induces a specific metric and the value of the membership function is defined as the normalized distance from the point to the margin of the corresponding crisp set. We show how to build the membership function for the intersubject fuzziness and present a method for interactive refinement of the obtained curves.},
\r
4360 keywords = {Ai, robotics and automatic control.
\r
4361 Reprint available from: Beliakov G. POB 4027, MULGRAVE 3170, AUSTRALIA,
\r
4366 author = {Cruz, G. P. A. and Beliakov, G.},
\r
4367 title = {Fuzzy Gating and the Problem of Screening},
\r
4368 journal = {Artificial Intelligence in Medicine},
\r
4371 pages = {377-385},
\r
4372 note = {Current Contents/Clinical Medicine.
\r
4373 Reprint available from: Beliakov G UNIV MELBOURNE DEPT MATH POB 4027 MULGRAVE VIC 3170 AUSTRALIA UNIV MELBOURNE DEPT MATH MULGRAVE VIC 3170 AUSTRALIA NATL CANC INST SANTA FE DE BOGOTA COLOMBIA 0004},
\r
4374 abstract = {The problem of population screening is very important for medical statistics. It allows one to analyze the expression of certain parameters in the population of healthy persons, in order to compare it to the expression of these parameters in the persons with a specific disease. If a parameter is expressed differently in ill and healthy persons, then this parameter may serve as a pointer to the disease, especially in its earlier stages. While the analysis of given parameters in people with the established diagnosis does not represent many difficulties, the analysis of the general population is not easily carried out. The problem is that the general population contains both ill and healthy people. The population of healthy people is said to be 'contaminated' by the noise-subpopulation of ill people. The resulting statistical parameters are, therefore, biased and in order to find their correct values one needs to cancel out the input of the noise. In this paper we propose a new method to cancel out the noise, based on the theory of fuzzy sets. We assume that an auxiliary parameter is measured simultaneously and it is used to separate the subpopulations. If two subpopulations (the data and the noise) form clearly distinguished clusters in respect to this auxiliary parameter, one creates a gate and throws out the events outside the gate assuming that they are noise. However, when the clusters overlap, this procedure is no longer useful, and it is this particular situation for which we have developed fuzzy gating. In addition to the fact that the gate is fuzzified, a specifically designed algorithm is applied to compute the probability density functions for both subpopulations. Our algorithm gives a very high precision and is very robust as to the level of noise and the type of distributions. [References: 7] 7},
\r
4375 keywords = {Fuzzy gating. Fuzzy sets. Robust statistics. Contaminated data.
\r
4377 Research/laboratory medicine and medical technology.
\r
4378 Reprint available from: Beliakov G. UNIV MELBOURNE, DEPT MATH, POB 4027,
\r
4383 author = {Cruz, G. P. A. and Beliakov, G.},
\r
4384 title = {On the Interpretation of Certainty Factors in Expert Systems},
\r
4385 journal = {Artificial Intelligence in Medicine},
\r
4389 note = {Current Contents/Clinical Medicine.
\r
4390 Reprint available from: Cruz GPA INST NACL CANCEROL DEPT HEMATOL AA 3350 BOGOTA COLOMBIA UNIV LOS ANDES DEPT MATH BOGOTA COLOMBIA 0001},
\r
4391 abstract = {Despite the strong theoretical foundation the Bayesian probabilistic approach to model uncertainty in medicine meets many difficulties at the implementation step. One of these difficulties is related to a large amount of conditional probabilities to be assessed and in many cases this task was recognised to be practically insoluble. The MYCIN certainty factors model is a widely distributed pragmatical approach for modeling reasoning under uncertainty that substantially simplifies the problem, at the sacrifice of theoretical soundness. One can determine certainty factors as a function of prior and posterior probability. However, this approach is only consistent with the modularity axiom for certainty factors for tree-structure inference networks, which is rarely true for practical applications. In this paper we abandon the requirement of a direct probabilistic interpretation of certainty factors and build a model of propagation of uncertainty in terms of absolute belief and belief updates. We describe our model for propagating uncertainty in terms of matrix multiplication with specifically defined addition and multiplication which correspond to parallel and sequential combinations of certainty factors. It is possible to define these operations in such a manner that they form a field, and therefore to obtain some useful properties. Finally we present a method of determining certainty factors from statistical data using nonlinear regression and illustrate it with a leukemia diagnostics problem. [References: 14] 14},
\r
4392 keywords = {Certainty factors. Probabilistic interpretation. Evidence combination.
\r
4393 Propagation of uncertainty. Inference networks. Absolute belief.
\r
4395 Research/laboratory medicine and medical technology.
\r
4396 Reprint available from: Cruz GPA. INST NACL CANCEROL, DEPT HEMATOL, AA
\r
4402 author = {Cuesta-Albertos, J. A. and Matran, C. and Agustin Mayo-Iscar, A.},
\r
4403 title = {Trimming and likelihood: robust location and dispersion estimation in the elliptical model},
\r
4404 abstract = {Robust estimators of location and dispersion are often used in the
\r
4405 elliptical model to obtain an uncontaminated and highly representative
\r
4406 subsample by trimming the data outside an ellipsoid based in
\r
4407 the associated Mahalanobis distance. Here we analyze some one (or
\r
4408 k)-step Maximum Likelihood Estimators computed on a subsample
\r
4409 obtained with such a procedure.
\r
4410 We introduce different models which arise naturally from the ways
\r
4411 in which the discarded data can be treated, leading to truncated or
\r
4412 censored likelihoods, as well as to a likelihood based on an only outliers
\r
4413 gross errors model. Results on existence, uniqueness, robustness
\r
4414 and asymptotic properties of the proposed estimators are included.
\r
4415 A remarkable fact is that the proposed estimators generally keep the
\r
4416 breakdown point of the initial (robust) estimators, but they could
\r
4417 improve the rate of convergence of the initial estimator because our
\r
4418 estimators always converge at rate n1/2, independently of the rate of
\r
4419 convergence of the initial estimator.},
\r
4423 @article{Cuesta2008,
\r
4424 author = {Cuesta-Albertos, J.A. and Matrán, C. and Mayo-Iscar, A.},
\r
4425 title = {Trimming and likelihood: robust location and dispersion estimation in the elliptical model},
\r
4426 journal = {Ann. Statist.},
\r
4429 pages = {2284-2318},
\r
4430 abstract = {MR2458188 (2010b:62095) Only summary in English??
\r
4431 Review: The authors consider estimation of the parameter $\theta=(\mu,\Sigma)$ of a density $$ f_\theta(x)=|\Sigma|^{-1/2}g\left((x-\mu)^T\Sigma^{-1}(x-\mu)\right) $$ on $\Bbb{R}^p$, with nonincreasing $g$. They propose so-called one-step maximum likelihood estimators, i.e., they robustly estimate the minimum volume ellipsoid $A$ of the underlying distribution and then maximize a log-likelihood that is obtained from the original density, either by censoring or truncation, or a combination of the two, with respect to estimated $A_n$. Identifiability of the model is discussed, existence and uniqueness of the estimators is established, and the information matrix is provided. Furthermore, it is proven that the breakdown point of the one-step estimators preserves that of the robust estimator used to compute $A_n$ and the expression of the influence function is given. Finally, the one-step estimators are shown to be strongly consistent and asymptotically normal at rate $\sqrt{n}$. Remarkably, the asymptotic results are obtained independently of the rate of convergence of the initial robust estimator.},
\r
4435 author = {Curtis, Michael A.},
\r
4436 title = {Optimization by simulated annealing theory and chemometric applications},
\r
4437 journal = {Journal of Chemical Education},
\r
4440 pages = {p775(4)},
\r
4441 abstract = {Optimization by simulated annealing (SA) is a relatively simple, efficient technique for global optimization. The SA method is founded on statistical mechanics. Improvements to the SA technique led to development of the Generalized Simulated Annealing (GSA) method. SA has theoretical and analytical chemistry applications. SA computer programs can be written in all major programming languages.},
\r
4442 keywords = {Mathematical optimization Technique
\r
4443 Simulated annealing (Mathematics) Usage
\r
4444 Chemical models Technique},
\r
4448 author = {Cvijovic, Djurdje and Klinowski, Jacek},
\r
4449 title = {Taboo search: an approach to the multiple minima problem},
\r
4450 journal = {Science},
\r
4453 pages = {p664(3)},
\r
4454 note = {Text available},
\r
4455 abstract = {Described here is a method, based on Glover's taboo search for discrete functions, of solving the multiple minima problem for continuous functions. As demonstrated by model calculations, the algorithm avoids entrapment in local minima and continues the search to give a near-optimal final solution. Unlike other methods of global optimization, this procedure is generally applicable, easy to implement, derivative-free, and conceptually simple.},
\r
4456 keywords = {Maxima and minima Research
\r
4457 Algorithms Research},
\r
4461 author = {Cyvin, S.J. and Wang, J.J. and Brunvoll, J. and Cao, S.M. and Li, Y. and Cyvin, B.N. and Wang, Y.G.},
\r
4462 title = {Staggered conformers of alkanes - complete solution of the enumeration problem},
\r
4463 journal = {Journal of Molecular Structure},
\r
4465 number = {Special Issue SI},
\r
4466 pages = {227-239},
\r
4467 abstract = {Staggered conformers of alkanes are represented as chemical graphs by angle-restricted trees which can be embedded in a diamond lattice; they are referred to as alkane systems. The enumeration of unbranched alkane systems, which correspond to staggered n-alkanes, are revisited. When the branched systems are included the corresponding enumeration terms of generating functions. This solution pertains to both nonoverlapping and overlapping systems, where the latter category is characterized by the presence of vertices which occupy the same sites in the diamond lattice. Hand in hand with the mathematical solution, the alkane systems were also generated and enumerated by computer programming. In particular, this approach gave new information about the non-overlapping systems. Finally, several classes of systems, especially among the overlapping alkane systems, were generated by hand according to combinatorial constructions. A special classification of the alkane systems according to the constitutional isomers is supposed to be of particular interest in structural chemistry. Symmetry considerations, which imply the distribution of the alkane systems into sixteen symmetry groups, play an important role in this work.},
\r
4468 keywords = {alkane
\r
4470 generating function
\r
4471 staggered conformer
\r
4473 complete mathematical solution
\r
4474 phase electron-diffraction
\r
4475 polyene hydrocarbons
\r
4476 molecular structure
\r
4477 isomer enumeration
\r
4484 @book{Dagpunar1988_book,
\r
4485 author = {Dagpunar, J.},
\r
4486 title = {Principles of random variate generation},
\r
4487 publisher = {Clarendon Press},
\r
4488 address = {Oxford},
\r
4492 author = {Dakternieks, D. and Lim, A.E.K. and Lim, K.F.},
\r
4493 title = {Electrospray mass spectrometric studies on the solution chemistry of triorganostannyl trifluoromethanesulfonates},
\r
4494 journal = {Phosphorus, Sulfur and Silicon},
\r
4495 volume = {150-151},
\r
4496 pages = {339-356},
\r
4497 keywords = {electrospray mass spectrometry; ES-MS; ESI-MS
\r
4498 nuclear magnetic resonance; NMR
\r
4501 solution chemistry
\r
4506 author = {Dakternieks, D. and Lim, A.E.K. and Lim, K.F.},
\r
4507 title = {The gas-phase fragmentation of trineopentylstannyl cation: a rare example of beta-methyl migration within a main group organometallic compound},
\r
4508 journal = {Chemical Communications},
\r
4510 pages = {1425-1426},
\r
4511 keywords = {journal
\r
4512 collision-induced dissociation; CID
\r
4513 electrospray mass spectrometry; ES-MS; ESI-MS
\r
4517 unimolecular reaction
\r
4518 ab initio quantum calculations
\r
4519 Rampsberger-Rice-Kassel-Marcus (RRKM)
\r
4525 author = {Dasarathy, B},
\r
4526 title = {Nearest neighbor pattern classification techniques},
\r
4527 publisher = {IEEE Computer Society press},
\r
4531 @book{Dasarathy1991_book,
\r
4532 author = {Dasarathy, B.V.},
\r
4533 title = {Nearest neighbor norms: {NN} pattern classification techniques},
\r
4534 publisher = {IEEE Computer Society Press},
\r
4535 address = {Los Alamitos, CA},
\r
4539 @book{orderstats1,
\r
4540 author = {David, H.A. and Nagaraja, H.N.},
\r
4541 title = {Order Statistics},
\r
4542 publisher = {Wiley},
\r
4543 address = {Hoboken, NJ},
\r
4548 @techreport{Davies2004,
\r
4549 author = {Davies, L. and Gather, U.},
\r
4550 title = {Robust Statistics},
\r
4551 institution = {Humboldt-Universität , Center for Applied Statistics and Economics (CASE) 2004, 20},
\r
4555 author = {Davis, A.P. and Joos, J.B.},
\r
4556 journal = {Coordination Chemistry Reviews},
\r
4559 pages = {143–156},
\r
4560 keywords = {review
\r
4562 American Chemical Society (ACS)},
\r
4566 @article{DeBaets2007_TFS,
\r
4567 author = {De Baets, B. and De Meyer, H.},
\r
4568 title = {Orthogonal grid constructions of copulas},
\r
4569 journal = {IEEE Trans. on Fuzzy Syst.},
\r
4571 pages = {1053-1062},
\r
4575 @article{DeBaets1999_fss,
\r
4576 author = {De Baets, B. and Fodor, J.},
\r
4577 title = {Van Melle's combining function in MYCIN is a representable uninorm: An alternative proof},
\r
4578 journal = {Fuzzy Sets and Systems},
\r
4580 pages = {133-136},
\r
4584 @article{Debaets1999_FSS,
\r
4585 author = {De Baets, B. and Mesiar, R.},
\r
4586 title = {Triangular norms on product lattices},
\r
4587 journal = {Fuzzy Sets and Systems},
\r
4590 note = {doi: DOI: 10.1016/S0165-0114(98)00259-0},
\r
4591 keywords = {(pseudo-)Archimedean property
\r
4595 Idempotent element
\r
4598 Partially ordered set
\r
4604 @incollection{deboor1977_invol,
\r
4605 author = {De Boor, C.},
\r
4606 title = {Computational aspects of optimal recovery},
\r
4607 booktitle = {Optimal Estimation in Approximation Theory},
\r
4608 editor = {Micchelli, C.A. and Rivlin, T.J.},
\r
4609 publisher = {Plenum Press},
\r
4610 address = {New York},
\r
4615 @book{deboor1978_book,
\r
4616 author = {De Boor, C.},
\r
4617 title = {A Practical Guide to Splines},
\r
4618 publisher = {Springer},
\r
4619 address = {Berlin, New York},
\r
4623 @book{deboor2001_book,
\r
4624 author = {De Boor, C.},
\r
4625 title = {A Practical Guide to Splines},
\r
4626 publisher = {Revised, Springer},
\r
4627 address = {New York},
\r
4631 author = {De Clercq, P.J.},
\r
4632 title = {Systematic conformational analysis. A microcomputer method for the semiquantitative evaluation of polycyclic systems containing five-, six- and seven-membered rings. 1. Program characteristics},
\r
4633 journal = {Tetrahedron},
\r
4636 pages = {3717-3727},
\r
4637 abstract = {A computer program for the semiquantitative conformational evaluation of polycyclic systems, with focus on five-, six- and seven-membered carbocycles, is described. Starting from two-dimensional structural information of the product as input, the progam deduces the preferred geometry of the molecule, including conformer population distributions when the product is a conformational mixture. Relative enthalpy, entropy and relative free energy terms are also computed for the analyzed product. The SCA program is written in BASIC and has been designed for operation on microcomputer systems.},
\r
4638 keywords = {journal},
\r
4642 author = {De Clercq, P.J.},
\r
4643 title = {Systematic conformational analysis. A microcomputer method for the semiquantitative evaluation of polycyclic systems containing five-, six- and seven-membered rings. 2. Scope and limitations},
\r
4644 journal = {Tetrahedron},
\r
4647 pages = {3729-3738},
\r
4648 abstract = {3729-3738 Several applications of the previously described microcomputer program for systematic conformational analysis of polycyclic systems (five-, six- and seven-membered rings)are discussed. Examples are given in relation to the prediction of the stereochemical outcome of a steric approach controlled reaction, to the prediction of the composition of isomerization equilibria and to the qualitative evaluation of strain in particular pretransitionstate geometries. Implications of the produced geometric and energetic (with focus on entropy) information are further discussed.},
\r
4649 keywords = {journal},
\r
4653 @inproceedings{Demeyer2005_EUSFLAT,
\r
4654 author = {De Meyer, H. and De Baets, B.},
\r
4655 title = {Fitting piecewise linear copulas to data},
\r
4656 booktitle = {4th Conf. of the Europ. Soc. for Fuzzy Logic and Technology},
\r
4657 address = {Barcelona, Spain},
\r
4661 @article{Dehne2010,
\r
4662 author = {Dehne, F. and Zaboli, H.},
\r
4663 title = {Deterministic Sample Sort For GPUs},
\r
4664 journal = {arXiv:1002.4464v1 },
\r
4668 @article{Montero2001_EJOR,
\r
4669 author = {Del Amo, J. and Montero, J. and Molina, E.},
\r
4670 title = {Representation of recursive rules},
\r
4671 journal = {Europ. J. Operations Research},
\r
4677 @article{Delbourgo1993,
\r
4678 author = {Delbourgo, Roger},
\r
4679 title = {Accurate C2 rational interpolants in tension},
\r
4680 journal = {SIAM J. Numer. Anal.},
\r
4683 pages = {595-607},
\r
4687 @article{Delgado1993_IJIS,
\r
4688 author = {Delgado, M. and Verdegay, J. L. and Vila, M.A.},
\r
4689 title = {On aggregation operations of linguistic labels},
\r
4690 journal = {Int. J. Intelligent Systems},
\r
4692 pages = {351-370},
\r
4696 author = {Demirhan, M. and Ozdamar, L.},
\r
4697 title = {A note on the use of a fuzzy approach in adaptive partitioning algorithms for global optimization},
\r
4698 journal = {IEEE Transactions on Fuzzy Systems},
\r
4701 pages = {468-475},
\r
4702 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
4703 Reprint available from: Demirhan M Yeditepe Univ, Dept Syst Engn Uskudar TR-81130 Istanbul Turkey Yeditepe Univ, Dept Syst Engn TR-81130 Istanbul Turkey Istanbul Kultur Univ, Dept Comp Engn TR-80280 Istanbul Turkey 0010 IEEE Trans. Fuzzy Syst},
\r
4704 abstract = {In global optimization, adaptive partitioning algorithms (APA) operate on the basis of partitioning the feasible region into subregions, sampling and evaluating each subregion, and selecting one or more subregions for repartitioning, The purpose of the repartitioning process is to locate a narrow neighborhood around the global optimum. In this correspondence, He propose to use a fuzzy approach in the assessment of subregions using random samples taken from these subregions. We discuss different types of uncertainties involved in APA and ne conclude that the use of a fuzzy approach in the assessment of subregions is in concurrence with APA's convergence property, We provide numerical results for the fuzzy approach on 13 test functions from the literature. [References: 27] 27},
\r
4705 keywords = {Adaptive partitioning algorithms. Fuzzy uncertainty. Global
\r
4706 optimization. Probabilistic uncertainty.
\r
4708 AI, Robotics, and Automatic Control in Current Contents(R)/Engineering,
\r
4709 Computing and Technology.
\r
4711 Reprint available from: Demirhan M. Yeditepe Univ, Dept Syst Engn,
\r
4712 Uskudar, TR-81130 Istanbul, Turkey.},
\r
4716 author = {Demura, M. and Noda, M. and Kajimoto, T. and Uchiyama, T. and Umemoto, K. and Wong, C.H. and Asakura, T.},
\r
4717 title = {Solution structure of sialyl Lewis X mimics studied by two-dimensional NMR},
\r
4718 journal = {Journal of Molecular Structure},
\r
4720 number = {Special Issue SI},
\r
4721 pages = {215-222},
\r
4722 abstract = {A structure of the peptidic mimic of sialyl Lewis X (SLex) (alpha-N-acetyl-neuraminyl-(2,3)-beta-D-galactopyranosyl-(1,4)-[alpha-L-fucop yranosyl-(1,3)-beta-D-N-acetyl-glucosamine]) in an aqueous solution was studied using two-dimensional H-1 NNM spectroscopy. Complete assignments of H-1 NMR chemical shift of the SLex mimic have been performed. The presence of three conformers of the SLex mimic in a solution was proposed by using distance geometry calculation based on NOE constraints, which were obtained from NOESY experiments. In addition, intermolecular interaction between the mimic and the crystal structure of E-selectin was refined using molecular dynamics. This suggested the conformational rearrangement of the functional groups of the conformers to the active sites of E-selectin. The relationship between the binding activities toward E-selectin and the three-dimensional structures of other mimics was also discussed.},
\r
4723 keywords = {E-selectin
\r
4727 molecular dynamics (MD)
\r
4728 nuclear magnetic resonance (NMR)
\r
4729 conformational analysis
\r
4731 molecular structure
\r
4732 molecular recognition},
\r
4736 @book{Demyanov1986,
\r
4737 author = {Demyanov, V. F. and Rubinov, A.},
\r
4738 title = {Quasi-differential Calculus},
\r
4739 publisher = {Optimization Software, Inc.},
\r
4740 address = {New York},
\r
4744 @book{Demyanov1995_book,
\r
4745 author = {Demyanov, V.F and Rubinov, A.M.},
\r
4746 title = {Constructive Nonsmooth Analysis},
\r
4747 publisher = {Peter Lang},
\r
4748 address = {Frankfurt am Main},
\r
4752 author = {Demyanov, V. F. and Rubinov, A. M.},
\r
4753 title = {An introduction to quasidifferential calculus},
\r
4754 journal = {Quasidifferentiability and Related Topics},
\r
4758 author = {Demyanov, V. F. and Rubinov, A. M.},
\r
4759 title = {Radiant sets and their gauges},
\r
4760 booktitle = {Quasidifferentiability and Related Topics},
\r
4761 pages = {235-261},
\r
4762 keywords = {Radiant sets. Radiative sets. Star-shaped sets. Minkowski gauges.
\r
4765 Current Book Contents in Current Contents(R)/Physical, Chemical and Earth
\r
4768 Reprint available from: Rubinov AM. Univ Ballarat, Sch Informat Technol and
\r
4769 Math Sci, Ballarat, Vic 3353, Australia.},
\r
4773 author = {Deng-Feng, Li},
\r
4774 title = {TOPSIS-Based Nonlinear-Programming Methodology for Multiattribute Decision Making With Interval-Valued Intuitionistic Fuzzy Sets},
\r
4775 journal = {Fuzzy Systems, IEEE Transactions on},
\r
4778 pages = {299-311},
\r
4779 keywords = {decision making
\r
4781 nonlinear programming
\r
4782 TOPSIS-based nonlinear-programming methodology
\r
4783 decision-making processes
\r
4784 interval-valued intuitionistic fuzzy sets
\r
4785 multiattribute decision making
\r
4786 weighted-Euclidean distance},
\r
4790 @book{Denneberg1994_book,
\r
4791 author = {Denneberg, D.},
\r
4792 title = {Non-additive Measure and Integral},
\r
4793 publisher = {Kluwer},
\r
4794 address = {Dordrecht},
\r
4798 @incollection{Denneberg2000_invol,
\r
4799 author = {Denneberg, D.},
\r
4800 title = {Non-additive measure and integral, basic concepts and their role for applications},
\r
4801 booktitle = {Fuzzy Measures and Integrals.Theory and Applications},
\r
4802 editor = {Grabisch, M. and Murofushi, T. and Sugeno, M.},
\r
4803 publisher = {Physica-Verlag},
\r
4804 address = {Heidelberg},
\r
4809 @incollection{den-20,
\r
4810 author = {Denneberg, D.},
\r
4811 title = {Non--additive measure and integral, basic concepts and their role for applications},
\r
4812 booktitle = {Fuzzy Measures and Integrals.Theory and Applications},
\r
4813 editor = {Grabisch, M. and Murofushi, T. and Sugeno, M.},
\r
4814 publisher = {Physica-Verlag},
\r
4815 address = {Heidelberg},
\r
4820 @book{Dennenberg1994_book,
\r
4821 author = {Dennenberg, D.},
\r
4822 title = {Non-Additive Measure and Integral},
\r
4823 publisher = {Kluwer Academic Publishers},
\r
4824 address = { Dordrecht, Boston},
\r
4828 @book{Dennis1983_book,
\r
4829 author = {Dennis, J.E. and Schnabel, R. B.},
\r
4830 title = {Numerical Methods for Unconstrained Optimization and Nonlinear Equations },
\r
4831 publisher = {Prentice-Hall},
\r
4832 address = {Englewood Cliffs, NJ},
\r
4836 @article{Deschrijver2006_FSS,
\r
4837 author = {Deschrijver, G.},
\r
4838 title = {The {A}rchimedean property for t-norms in interval-valued fuzzy set theory},
\r
4839 journal = {Fuzzy Sets and Systems},
\r
4841 pages = {2311-2327},
\r
4845 @article{Deschrijver2007_TFS,
\r
4846 author = {Deschrijver, G.},
\r
4847 title = {Additive and multiplicative generators in interval-valued fuzzy set theory},
\r
4848 journal = {IEEE Trans. on Fuzzy Systems},
\r
4849 volume = {in press},
\r
4853 @article{Deschrijver2004_TFS,
\r
4854 author = {Deschrijver, G. and Cornelis, C. and Kerre, E.E.},
\r
4855 title = {On the representation of intuitionistic fuzzy t-norms and t-conorms},
\r
4856 journal = {IEEE Trans. on Fuzzy Systems},
\r
4862 @article{Desh2005,
\r
4863 author = {Deschrijver, G. and Kerre, E.},
\r
4864 title = {Implicators based on binary aggregation operators in interval-valued fuzzy set theory},
\r
4865 journal = {Fuzzy Sets and Systems},
\r
4867 pages = {229-248},
\r
4871 @incollection{Desh2008,
\r
4872 author = {Deschrijver, G. and Kerre, E.},
\r
4873 title = {Aggregation Operators in Interval-valued Fuzzy and Atanassov's Intuitionistic Fuzzy Set Theory},
\r
4874 booktitle = {Fuzzy Sets and Their Extensions: Representation, Aggregation and Models
\r
4876 editor = {Bustince, H. and Herrera, F. and Montero, J.},
\r
4877 publisher = {Springer},
\r
4878 address = {Heidelberg, New York},
\r
4879 pages = {183-203},
\r
4883 author = {Devillers, J.},
\r
4884 title = {Genetic algorithms in molecular modeling},
\r
4885 publisher = {Academic Press},
\r
4886 address = {London; San Diego, CA},
\r
4887 series = {Principles of QSAR and drug design; 1.},
\r
4888 note = {edited by James Devillers.
\r
4889 Includes bibliographical references and index.},
\r
4890 keywords = {Genetic algorithms.
\r
4891 Evolutionary programming (Computer science)
\r
4892 Combinatorial optimization.
\r
4894 QSAR (Biochemistry)},
\r
4898 @book{Devroye1986_book,
\r
4899 author = {Devroye, Luc},
\r
4900 title = {Non-uniform random variate generation},
\r
4901 publisher = {Springer Verlag},
\r
4902 address = {New York},
\r
4903 note = {86003783},
\r
4904 keywords = {Random variables.},
\r
4908 @incollection{Devroye1996_ACM,
\r
4909 author = {Devroye, L.},
\r
4910 title = {Random variate generation in one line of code},
\r
4911 booktitle = {Winter Simulation Conference Proceedings},
\r
4912 editor = {Charnes, J.M. and Morrice, D.J. and Brunner, D.T. and Swain, J.J.},
\r
4913 publisher = {ACM},
\r
4914 pages = {265-272},
\r
4919 author = {Deza, E. and Deza, M.M.},
\r
4920 title = {Dictionary of Distances},
\r
4921 publisher = {Elsevier},
\r
4922 address = {Amsterdam},
\r
4926 @book{Dierckx1995_book,
\r
4927 author = {Dierckx, P.},
\r
4928 title = {Curve and Surface Fitting with Splines},
\r
4929 publisher = {Clarendon Press},
\r
4930 address = {Oxford},
\r
4934 author = {Dietterich, T. and Lathrop, R. and Lozano Perez, T.},
\r
4935 title = {Solving the multipleinstance problem with axisparallel rectangles},
\r
4936 journal = {Artificial Intelligence},
\r
4943 author = {Dixon, L. C. W. and Jha, M.},
\r
4944 title = {Parallel Algorithms for Global Optimization},
\r
4945 journal = {Journal of Optimization Theory and Applications},
\r
4948 pages = {385-395},
\r
4949 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
4950 Reprint available from: Dixon LCW UNIV HERTFORDSHIRE CTR NUMER OPTIMISAT HATFIELD HERTS ENGLAND 0009},
\r
4951 abstract = {In this paper, we report results of implementations of algorithms designed (i) to solve the global optimization problem (GOP) and (ii) to run on a parallel network of transputers. There have always been two alternative approaches to the solution of the GOP, probabilistic and deterministic. Interval methods can be implemented on our network of transputers using Concurrent ADA, and a secondary objective of the tests reported was to investigate the relative computer times required by parallel interval algorithms compared to probabilistic methods. [References: 12] 12},
\r
4952 keywords = {Global optimization. Parallel computing. Transputer performance.
\r
4955 Reprint available from: Dixon LCW. UNIV HERTFORDSHIRE, CTR NUMER
\r
4956 OPTIMISAT, HATFIELD, HERTS.},
\r
4960 @article{Djouadi1997,
\r
4961 author = {Djouadi, Abdelhamid and Bouktache, Essaid},
\r
4962 title = {A Fast Algorithm for the Nearest-Neighbor Classifier},
\r
4963 journal = {IEEE Trans. Pattern Anal. Mach. Intell.},
\r
4966 pages = {277-282},
\r
4971 author = {Djouadi, Abdelhamid and Bouktache, Essaid},
\r
4972 title = {A Fast Algorithm for the Nearest-Neighbor Classifier},
\r
4973 journal = {IEEE Trans. Pattern Anal. Mach. Intell.},
\r
4976 pages = {277-282},
\r
4981 @article{Dombi1982_ejor,
\r
4982 author = {Dombi, J.},
\r
4983 title = {Basic concepts for a theory of evaluation: The aggregative operator},
\r
4984 journal = {Europ. J. Oper. Res.},
\r
4986 pages = {282-293},
\r
4990 @article{Dombi1982_fss,
\r
4991 author = {Dombi, J.},
\r
4992 title = {A general class of fuzzy operators, the de Morgan class of fuzzy operators and fuzziness measures induced by fuzzy operators},
\r
4993 journal = {Fuzzy Sets and Systems},
\r
4995 pages = {149-163},
\r
4999 author = {Dong, Q.F. and Wu, Z.J.},
\r
5000 title = {A linear-time algorithm for solving the molecular distance geometry problem with exact inter-atomic distances},
\r
5001 journal = {Journal of Global Optimization},
\r
5004 pages = {365-375},
\r
5005 abstract = {We describe a linear-time algorithm for solving the molecular distance geometry problem with exact distances between all pairs of atoms. This problem needs to be solved in every iteration of general distance geometry algorithms for protein modeling such as the EMBED algorithm by Crippen and Havel (Distance Geometry and Molecular Conformation, Wiley, 1988). However, previous approaches to the problem rely on decomposing an distance matrix or minimizing an error function and require O(n(2)) to O((3)) floating point operations. The linear-time algorithm will provide a much more efficient approach to the problem, especially in large-scale applications. It exploits the problem structure and hence is able to identify infeasible data more easily as well.},
\r
5006 keywords = {global optimization
\r
5008 Hiv-1 reverse-transcriptase
\r
5009 Protein structure determination
\r
5010 numerical linear algebra and optimization},
\r
5014 author = {Dong, Q.F. and Wu, Z.J.},
\r
5015 title = {A geometric build-up algorithm for solving the molecular distance geometry problem with sparse distance data},
\r
5016 journal = {Journal of Global Optimization},
\r
5017 abstract = {Nuclear magnetic resonance (NMR) structure modeling usually produces a sparse set of inter-atomic distances in protein. In order to calculate the three-dimensional structure of protein, current approaches need to estimate all other "missing" distances to build a full set of distances. However, the estimation step is costly and prone to introducing errors. In this report, we describe a geometric build-up algorithm for solving protein structure by using only a sparse set of inter-atomic distances. Such a sparse set of distances can be obtained by combining NMR data with our knowledge on certain bond lengths and bond angles. It can also include confident estimations on some "missing" distances. Our algorithm utilizes a simple geometric relationship between coordinates and distances. The coordinates for each atom are calculated by using the coordinates of previously determined atoms and their distances. We have implemented the algorithm and tested it on several proteins. Our results showed that our algorithm successfully determined the protein structures with sparse sets of distances. Therefore, our algorithm reduces the need of estimating the "missing" distances and promises a more efficient approach to NMR structure modeling.},
\r
5018 keywords = {global optimization
\r
5020 Protein structure determination
\r
5021 numerical linear algebra and optimization
\r
5022 molecular structure
\r
5024 protein structure determination
\r
5025 numerical linear algebra
\r
5027 year = {2003, to appear}
\r
5030 @article{Dongarra1987_commacm,
\r
5031 author = {Dongarra, J.J. and Grosse, E.},
\r
5032 title = {Distribution of mathematical software via electronic mail},
\r
5033 journal = {Comm. ACM},
\r
5035 pages = {403-440},
\r
5039 author = {Draper, N.R. and Smith, H.},
\r
5040 title = {Applied Regression Analysis},
\r
5041 publisher = {Wiley-Interscience},
\r
5042 address = {New York},
\r
5043 series = {Wiley Series in Probability and Statistics},
\r
5044 note = {0. Basic Prerequisite Knowledge
\r
5045 1. Fitting a Straight Line by Least Squares
\r
5046 2. Checking the Straight Line Fit
\r
5047 3. Fitting Straight Lines: Special Topics
\r
5048 4. Regression in Matrix Terms: Straight Line Case
\r
5049 5. The General Regression Situation
\r
5050 6. Extra Sums of Squares and Tests for Several Parameters Being Zero
\r
5051 7. Serial Correlation in the Residuals and the Durbin-Watson Test
\r
5052 8. More on Checking Fitted Models
\r
5053 9. Multiple Regression: Special Topics
\r
5054 10. Bias in Regression Estimates, and Expected Values of Mean Squares and Sums of Squares
\r
5055 11. On Worthwhile Regressions, Big F's, and R2
\r
5056 12. Models Containing Functions of the Predictors, Including Polynomial Models
\r
5057 13. Transformation of the Response Variable
\r
5058 14. "Dummy" Variables
\r
5059 15. Selecting the "Best" Regression Equation
\r
5060 16. Ill-Conditioning in Regression Data
\r
5061 17. Ridge Regression
\r
5062 18. Generalized Linear Models (GLIM)
\r
5063 19. Mixture Ingredients as Predictor Variables
\r
5064 20. The Geometry of Least Squares
\r
5065 21. More Geometry of Least Squares
\r
5066 22. Orthogonal Polynomials and Summary Data
\r
5067 23. Multiple Regression Applied to Analysis of Variance Problems
\r
5068 24. An Introduction to Nonlinear Estimation
\r
5069 25. Robust Regression
\r
5070 26. Resampling Procedures (Bootstrapping)},
\r
5074 @article{Dubois03_AI,
\r
5075 author = {Dubois, D. and Fargier, H. and Perny, P. },
\r
5076 title = {Qualitative decision theory with preference relations and comparative uncertainty: An axiomatic approach},
\r
5077 journal = {Artificial Intelligence},
\r
5079 pages = {219-260},
\r
5083 @incollection{Dubois1997_invol,
\r
5084 author = {Dubois, D. and Fargier, H. and Prade, H.},
\r
5085 title = {Beyond min aggregation in multicriteria decision: (Ordered) weighted min, discri-min, leximin},
\r
5086 booktitle = {The Ordered Weighted Averaging Operators -- Theory and Applications},
\r
5087 editor = {Yager, R. and Kacprzyk, J.},
\r
5088 publisher = {Kluwer Academic Publ.},
\r
5089 address = {Boston},
\r
5090 pages = {181-192},
\r
5094 @article{Dubois1991_FSS,
\r
5095 author = {Dubois, D. and Koning, J-L.},
\r
5096 title = {Social choice axioms for fuzzy set aggregation},
\r
5097 journal = {Fuzzy Sets and Systems},
\r
5099 pages = {257-274},
\r
5103 @article{Dubois2001_IJUFKS,
\r
5104 author = {Dubois, D. and Marichal, J.-L. and Prade, H. and Roubens, M. and Sabbadin, R.},
\r
5105 title = {The use of the discrete {S}ugeno integral in decision making: a survey},
\r
5106 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
5108 pages = {539-561},
\r
5112 @book{Dubois1980_book,
\r
5113 author = {Dubois, D. and Prade, H.},
\r
5114 title = {Fuzzy Sets and Systems. Theory and Applications},
\r
5115 publisher = {Academic Press},
\r
5116 address = {New York},
\r
5120 @article{Dubois1984_MS,
\r
5121 author = {Dubois, D. and Prade, H.},
\r
5122 title = {Criteria aggregation and ranking of alternatives in the framework of fuzzy set theory},
\r
5123 journal = {TIMS/Studies in the Management Sciences},
\r
5125 pages = {209-240},
\r
5129 @article{Dubois1985_is,
\r
5130 author = {Dubois, D. and Prade, H.},
\r
5131 title = {A review of fuzzy set aggregation connectives},
\r
5132 journal = {Information Sciences},
\r
5138 @article{Dubois1986_IS,
\r
5139 author = {Dubois, D. and Prade, H.},
\r
5140 title = {Weighted minimum and maximum operations in fuzzy sets theory},
\r
5141 journal = {Inform. Sci.},
\r
5143 pages = {205?210},
\r
5147 @book{Dubois1988_book,
\r
5148 author = {Dubois, D. and Prade, H.},
\r
5149 title = {Possibility Theory},
\r
5150 publisher = {Plenum Press},
\r
5151 address = {New York},
\r
5155 @book{Dubois2000_book,
\r
5156 author = {Dubois, D. and Prade, H.},
\r
5157 title = {Fundamentals of Fuzzy Sets},
\r
5158 publisher = {Kluwer},
\r
5159 address = {Boston},
\r
5163 @book{Dubois2000_book,
\r
5164 author = {Dubois, D. and Prade, H.},
\r
5165 title = {Fundamentals of Fuzzy Sets },
\r
5166 publisher = {Kluwer},
\r
5167 address = {Boston},
\r
5171 @article{Dubois2004_FSS,
\r
5172 author = {Dubois, D. and Prade, H.},
\r
5173 title = {On the use of aggregation operations in information fusion processes},
\r
5174 journal = {Fuzzy Sets and Systems},
\r
5176 pages = {143-161},
\r
5180 author = {Duch, W. and Korczak, J.},
\r
5181 title = {Optimization and global minimization methods suitable for neural networks},
\r
5182 journal = {Neural computing surveys},
\r
5183 year = {1999 (submitted)}
\r
5186 author = {Duda, Richard O. and Hart, Peter E.},
\r
5187 title = {Pattern classification and scene analysis},
\r
5188 publisher = {Wiley},
\r
5189 address = {New York,},
\r
5190 note = {[by] Richard O. Duda [and] Peter E. Hart.
\r
5191 "A Wiley-interscience publication."
\r
5192 Includes bibliographies.},
\r
5193 keywords = {Pattern recognition systems.
\r
5194 Statistical decision.},
\r
5198 @article{Dudani1976_TSMS,
\r
5199 author = {Dudani, S.A.},
\r
5200 title = {The distance-weighted k-nearest-neighbor rule},
\r
5201 journal = {IEEE Trans. on Syst., Man, and Cybernetics},
\r
5203 pages = {325?327},
\r
5207 @article{Dujmovic1973,
\r
5208 author = {Dujmovic, J.J.},
\r
5209 title = {Two integrals related to means},
\r
5210 journal = {Univ. Beograd. Publ. Elektrotechn. Fak.},
\r
5211 pages = {231-232},
\r
5215 @article{Dujmovic1974,
\r
5216 author = {Dujmovic, J.J.},
\r
5217 title = {Weighted conjunctive and disjunctive means and their application in system evaluation},
\r
5218 journal = {Univ. Beograd. Publ. Elektrotechn. Fak.},
\r
5219 pages = {147-158},
\r
5223 @article{Dujmovic2007_TFS,
\r
5224 author = {Dujmovic, J.J.},
\r
5225 title = {Continuous Preference Logic for System Evaluation},
\r
5226 journal = {IEEE Trans. on Fuzzy Systems},
\r
5228 pages = {1082-1099},
\r
5232 author = {Dumitrescu, D. and Jain, L. C. and Lazzerini, Beatrice},
\r
5233 title = {Fuzzy sets and their application to clustering and training},
\r
5234 publisher = {CRC Press},
\r
5235 address = {Boca Raton, FL},
\r
5237 D. Dumitrescu, B. Lazzerini, L.C. Jain.
\r
5238 Includes bibliographical references (p. 599-600) and index.},
\r
5239 keywords = {Fuzzy sets.
\r
5240 Cluster analysis.},
\r
5244 author = {Dunn, J.C.},
\r
5245 title = {A fuzzy relative of the ISODATA process and its use in detecting compact, well separated clusters},
\r
5246 journal = {Journal of Cybernetics},
\r
5252 @article{Dyckhoff1984_fss,
\r
5253 author = {Dyckhoff, H. and Pedrycz, W.},
\r
5254 title = {Generalized means as model of compensative connectives},
\r
5255 journal = {Fuzzy Sets and Systems},
\r
5257 pages = {143-154},
\r
5261 @article{Eberlein1995_B,
\r
5262 author = {Eberlein, E. and Keller, U.},
\r
5263 title = {Hyperbolic distributions in finance},
\r
5264 journal = {Bernoulli},
\r
5266 pages = {281-299},
\r
5270 author = {Ebner, Th and Magele, Ch and Brandstatter, B. R. and Richter, K. R.},
\r
5271 title = {Utilizing feed forward neural networks for acceleration fo global optimization procedures},
\r
5272 journal = {IEEE Transactions on Magnetics},
\r
5275 pages = {p2928(4)},
\r
5276 abstract = {Global optimization in Electrical Engineering usually requires an enormous amount of CPU time to evaluate the objective function when stochastic methods are used. Approximating the objective function can drastically reduce the computational demands. The use of Feed Forward Neural Networks is proposed in this paper and its application is investigated using a unconstrained and a constrained version of the TEAM Workshop problem 22.
\r
5277 Index terms - Neural networks, generalized functions, approximation methods, optimization methods},
\r
5278 keywords = {Neural networks Usage
\r
5279 Stochastic approximation Usage
\r
5280 Mathematical optimization Research},
\r
5284 @article{Edelsbrunner1986_DCG,
\r
5285 author = {Edelsbrunner, H. and Seidel, R.},
\r
5286 title = {Voronoi diagrams and arrangements},
\r
5287 journal = {Discrete and Comput. Geometry},
\r
5293 @article{Edwards1977_TMSS,
\r
5294 author = {Edwards, W.},
\r
5295 title = {How to use multIattribute utlhty measurement for social declslonmakmg},
\r
5296 journal = {IEEE Trans. on Syst., Man, and Cybernetics},
\r
5298 pages = {326-340},
\r
5302 @book{Ehrgott2000_book,
\r
5303 author = {Ehrgott, M.},
\r
5304 title = {Multicriteria Optimization},
\r
5305 publisher = {Springer},
\r
5306 address = {Berlin},
\r
5310 author = {Ehrlich, L.P. and Wade, R.C.},
\r
5311 title = {Protein-protein docking},
\r
5312 booktitle = {Reviews in Computational Chemistry},
\r
5313 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
5314 publisher = {Wiley-VCH},
\r
5315 address = {New York},
\r
5318 keywords = {potential energy surface (PES)
\r
5319 molecular mechanics (MM)
\r
5320 molecular modelling
\r
5329 @article{Eksterowicz1993_chemrev,
\r
5330 author = {Eksterowicz, J.E. and Houk, K.N.},
\r
5331 title = {Transition state modeling with empirical force fields},
\r
5332 journal = {Chemical Reviews},
\r
5335 pages = {2439-2461},
\r
5336 note = {P540/C518},
\r
5337 keywords = {review; Allinger's MM2 force field},
\r
5341 @incollection{Eldershaw1997,
\r
5342 author = {Eldershaw, C. and Hegland, M.},
\r
5343 title = {Cluster Analysis using Triangulation},
\r
5344 booktitle = {Computational Techniques and Applications: CTAC97},
\r
5345 editor = {Noye, B. J. and Teubner, M. D. and Gill, A. W.},
\r
5346 publisher = {World Scientific},
\r
5347 address = {Singapore},
\r
5348 pages = {201-208},
\r
5352 @article{ElfAnd1989,
\r
5353 author = {Elfving, Tommy and Andersson, Lars-Erik},
\r
5354 title = {An algorithm for computing constrained smoothing spline functions},
\r
5355 journal = {Numerische Mathematik},
\r
5358 pages = {583-595},
\r
5359 keywords = {AMS(MOS): 41A15, 41A25, 41A29
\r
5364 @article{Elfving1989_NM,
\r
5365 author = {Elfving, T. and Andersson, L.-E.},
\r
5366 title = {An algorithm for computing constrained smoothing spline functions},
\r
5367 journal = {Numer. Math.},
\r
5369 pages = {583-595},
\r
5374 author = {Elfving, T. and Andersson, L.-E.},
\r
5375 title = {An algorithm for computing constrained smoothing spline functions},
\r
5376 journal = {Numer.Math.},
\r
5378 pages = {583-595},
\r
5382 author = {El-Melegy, M. and Essai, M. and Ali, A.},
\r
5383 title = {Robust Training of Artificial Feedforward Neural Networks},
\r
5384 booktitle = {Foundations of Computational, Intelligence },
\r
5385 series = {Studies in Computational Intelligence},
\r
5386 publisher = {Springer },
\r
5387 address = {Berlin / Heidelberg},
\r
5389 pages = {217-242},
\r
5394 author = {Enge, A.},
\r
5395 title = {http://www.lix.polytechnique.fr/Labo/Andreas.Enge/Volumen.html},
\r
5399 author = {Ergezinger, S. and Thomson, E.},
\r
5400 title = {An accelerated learning algorithm for multilayer perceptron: optimizing layer by layer},
\r
5401 journal = {IEEE Transactions on Neural Networks},
\r
5408 author = {Esposito, W. R. and Floudas, C. A.},
\r
5409 title = {Global Optimization in Parameter Estimation of Nonlinear Algebraic Models Via the Error-in-Variables Approach},
\r
5410 journal = {Industrial and Engineering Chemistry Research},
\r
5413 pages = {1841-1858},
\r
5414 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
5415 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
5416 abstract = {The estimation of parameters in nonlinear algebraic models through the error-in-variables method has been widely studied from a computational standpoint. The method involves the minimization of a weighted sum of squared errors subject to the model equations. Due to the nonlinear nature of the models used, the resulting formulation is nonconvex and may contain several local minima in the region of interest. Current methods tailored for this formulation, although computationally efficient, can only attain convergence to a local solution. In this paper, a global optimization approach based on a branch and bound framework and convexification techniques for general twice differentiable nonlinear optimization problems is proposed for the parameter estimation of nonlinear algebraic models. The proposed convexification techniques exploit the mathematical properties of the formulation. Classical nonlinear estimation problems were solved and will be used to illustrate the various theoretical and computational aspects of the proposed approach. [References: 32]},
\r
5417 keywords = {Implicit models.
\r
5418 Chemical engineering.},
\r
5422 author = {Esposito, W. R. and Floudas, C. A.},
\r
5423 title = {Parameter Estimation in Nonlinear Algebraic Models Via Global Optimization},
\r
5424 journal = {Computers and Chemical Engineering},
\r
5426 number = {Suppl S},
\r
5427 pages = {S 213-S 220},
\r
5428 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
5429 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
5430 abstract = {The estimation of parameters in semi-empirical nonlinear models through the error-in-variables method has been widely studied from a computational standpoint. This method involves the minimization of a quadratic objective function subject to the model equations being satisfied. Due to the nonlinear nature of these models, the resulting formulation is nonconvex in nature. The approaches to solve this problem presented so far in the literature, although computationally efficient, only offer convergence to a local solution df a model which may contain multiple minima. In this paper a global optimization approach based on a branch-and-bound framework will be presented to solve the error-in-variables formulation. Various estimation problems were solved and will be presented to illustrate the theoretical and computational aspects of the proposed method. (C) 1998 Elsevier Science Ltd. All rights reserved. [References: 26]},
\r
5431 keywords = {Variables. Errors.
\r
5432 Chemical engineering.},
\r
5436 author = {Esposito, W. R. and Floudas, C. A.},
\r
5437 title = {Deterministic global optimization in nonlinear optimal control problems},
\r
5438 journal = {Journal of Global Optimization},
\r
5442 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
5443 Reprint available from: Esposito WR Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0009 J. Glob. Optim},
\r
5444 abstract = {The accurate solution of optimal control problems is crucial in many areas of engineering and applied science. For systems which are described by a nonlinear set of differential-algebraic equations, these problems have been shown to often contain multiple local minima. Methods exist which attempt to determine the global solution of these formulations. These algorithms are stochastic in nature and can still get trapped in local minima. There is currently no deterministic method which can solve, to global optimality, the nonlinear optimal control problem. In this paper a deterministic global optimization approach based on a branch and bound framework is introduced to address the nonlinear optimal control problem to global optimality. Only mild conditions on the differentiability of the dynamic system are required. The implementation of the approach is discussed and computational studies are presented for four control problems which exhibit multiple local minima. [References: 54] 54},
\r
5445 keywords = {Differential-algebraic equations. Global optimization. Optimal control.
\r
5446 Differentiable constrained nlps. Algebraic process systems. Dynamic
\r
5447 optimization. Alpha-bb. General constraints. Path constraints. Batch
\r
5448 reactors. Collocation. Algorithms. Equations.
\r
5449 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
5455 author = {Esposito, W. R. and Floudas, C. A.},
\r
5456 title = {Global optimization for the parameter estimation of differential-algebraic systems},
\r
5457 journal = {Industrial and Engineering Chemistry Research},
\r
5460 pages = {1291-1310},
\r
5461 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
5462 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0024 Ind. Eng. Chem. Res},
\r
5463 abstract = {The estimation of parameters in semiempirical models is essential in numerous areas of engineering and applied science. In many cases these models are represented by a set of nonlinear differential-algebraic equations. This introduces difficulties from both a numerical and an optimization perspective. One such difficulty, which has not been adequately addressed,is the existence of multiple local minima. In this paper, two novel global optimization methods will be presented which offer a theoretical guarantee of convergence to the global minimum for a wide range of problems. The first is based on converting the dynamic system of equations into a set of algebraic constraints through the use of collocation methods. The reformulated problem has interesting mathematical properties which allow for the development of a deterministic branch and bound global optimization approach. The second method is based on the use of integration to solve the dynamic system of equations. Both methods will be applied to the problem of estimating parameters in differential-algebraic models through the error-in-variables approach. The mathematical properties of the formulation which lead to specialization of the algorithms will be discussed. Then, the computational aspects of both approaches will be presented and compared through their application to several problems involving reaction kinetics. [References: 50] 50},
\r
5464 keywords = {Alpha-bb. Genetic algorithm. Constrained nlps. Direct search.
\r
5465 Equations. Reduction. Strategies. Models.
\r
5466 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
5469 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
5470 Princeton, NJ 08544, USA, .},
\r
5474 @article{Ester1998_DMKD,
\r
5475 author = {Ester, M. and Kriegel, H.-P. and Sander, J. and Xu, X.},
\r
5476 title = {Density-Based Clustering in Spatial Databases: The Algorithm GDBSCAN and its Applications.},
\r
5477 journal = {Data Mining and Knowledge Discovery},
\r
5479 pages = {169-194},
\r
5483 author = {Eubank, R.L.},
\r
5484 title = {Spline smoothing and nonparametric regression},
\r
5485 publisher = {Marcel Dekker Inc},
\r
5486 address = {New York},
\r
5491 author = {Eubank, R.L.},
\r
5492 title = {Spline smoothing and nonparametric regression},
\r
5493 publisher = {Marcel Dekker Inc.},
\r
5494 address = {New York},
\r
5498 author = {Evans, James R. and Minieka, Edward},
\r
5499 title = {Optimization algorithms for networks and graphs},
\r
5500 publisher = {M. Dekker},
\r
5501 address = {New York},
\r
5502 edition = {2nd , rev. and expanded /},
\r
5503 note = {James R. Evans, Edward Minieka.
\r
5504 1 floppy disk (5 1/4 in.)
\r
5505 System requirements: IBM PC or compatible; PC DOS or MS DOS (version 2.1 or later); 512K RAM.
\r
5506 Rev. ed. of: Optimization algorithms for networks and graphs / Edward Minieka. c1978.
\r
5507 NETSOLVE version 1.3.1, for the IBM PC and compatible on 1 floppy disk in pocket.
\r
5509 keywords = {Graph theory.
\r
5510 Network analysis (Planning)
\r
5515 @article{Evans1998_CStat,
\r
5516 author = {Evans, M. and Swartz, T.},
\r
5517 title = {Distribution theory and inference for polynomial-normal densities},
\r
5518 journal = {Communications in Statistics: Theory and Methods},
\r
5520 pages = {1123-1148},
\r
5524 @article{Evans1998_Compstats,
\r
5525 author = {Evans, M. and Swartz, T.},
\r
5526 title = {Random variable generation using concavity properties of the transformed densities},
\r
5527 journal = {J. of Computational and Graphical Statistics},
\r
5530 pages = {514-528},
\r
5534 @book{Everitt2001_book,
\r
5535 author = {Everitt, B.S. and Landau, S. and Leese, M.},
\r
5536 title = {Cluster Analysis},
\r
5537 publisher = {Arnold},
\r
5538 address = {London},
\r
5540 keywords = {mathematics
\r
5543 cluster analysis},
\r
5547 author = {Faliks, A. and Yetter, R. A. and Floudas, C. A. and Bernasek, S. L. and Fransson, M. and Rabitz, H.},
\r
5548 title = {Optimal control of catalytic methanol conversion to formaldehyde},
\r
5549 journal = {Journal of Physical Chemistry},
\r
5552 pages = {2099-2105},
\r
5553 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
5554 Reprint available from: Rabitz H Princeton Univ, Dept Chem Princeton, NJ 08544 USA Princeton Univ, Dept Chem Princeton, NJ 08544 USA Princeton Univ, Dept Mech and Aerosp Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0051 J. Phys. Chem. A},
\r
5555 abstract = {An optimal control methodology is applied to find the heat and oxygen flux profiles, distributed along the length of a plug flow reactor, for the conversion of methanol to formaldehyde. The calculations use models for the gas-phase and catalytic [MoO3-Fe-2(MoO4)(3)] reactions. The reactor designs show that a distributed heat flux improves formaldehyde yields, but an oxygen flux does not affect the results. Formaldehyde mass fractions of over 90% have been achieved in the simulations. The solutions obtained, although not proven to be globally optimal, are of very high quality. A fully nonlinear robustness analysis of the formaldehyde production with respect to the catalyst model variables is performed by the use of a high dimensional model representation. This representation is similar to the ANOVA decomposition used in statistics but does not require an increase in the number of data points as the dimensionality of the variable space increases. The most important variables are the catalyst surface area and the rate of formaldehyde desorption. The yield improvement from employing optimized fluxes is found to be robust to the catalytic model parameter values. [References: 36] 36},
\r
5556 keywords = {Sensitivity analysis. Optimization. Oxidation. Ethylene. Kinetics.
\r
5558 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
5559 Chemical and Earth Sciences.
\r
5564 author = {Faliks, A. and Yetter, R. A. and Floudas, C. A. and Hall, R. and Rabitz, H.},
\r
5565 title = {Optimal control of methane conversion to ethylene},
\r
5566 journal = {Journal of Physical Chemistry},
\r
5569 pages = {10740-10746},
\r
5570 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
5571 Reprint available from: Rabitz H Princeton Univ, Dept Chem Princeton, NJ 08544 USA Princeton Univ, Dept Chem Princeton, NJ 08544 USA Princeton Univ, Dept Mech and Aerosp Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Exxon Res and Engn Co Annandale, NJ 08801 USA 0022 J. Phys. Chem. A},
\r
5572 abstract = {An optimal control methodology is applied to the problem of finding the heat, hydrogen, and oxygen flux profiles for the homogeneous, gas-phase conversion of methane to ethylene in a plug flow reactor. The calculations use a detailed reaction model for the oxidative pyrolysis of methane and a model for the growth of polycyclic aromatic hydrocarbons and soot:particle nulceation and growth. The reactor designs show that distributed hydrogen and oxygen fluxes along the axis of the reactor improve ethylene yields to a greater extent than co-fed hydrogen and/or oxygen. The axial heat flux is shown to play a major role in the final yields of ethylene. The optimal residence times are 28-31 ms, and the optimal temperature profiles cover a range of 1200-1985 K. The simulation results show that for the conditions considered, C2H2 is formed initially and is converted to C2H4 by a controlled extraction of energy. Hydrogen addition is advantageous at both stages to reduce soot in the first half of the reactor and to shift the equilibrium toward ethylene in the second half. Oxygen aids in forming ethylene from the C2H5 and C2H3 intermediates and in the formation of hydrogen radicals. Ethylene carbon mass fractions of 0.64 have been achieved. The solutions, although not proven to be globally optimal, are of high quality. [References: 16] 16},
\r
5573 keywords = {Kinetic-transport models. Reaction sequences. Reactors. Oxygen.
\r
5574 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
5575 Chemical and Earth Sciences.
\r
5580 author = {Faliks, A. and Yetter, R. A. and Floudas, C. A. and Wei, Y. and Rabitz, H.},
\r
5581 title = {Optimization of living polymerization through distributed control of a nitroxide radical},
\r
5582 journal = {Polymer},
\r
5585 pages = {2061-2065},
\r
5586 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
5587 Reprint available from: Rabitz H Princeton Univ, Dept Chem Princeton, NJ 08544 USA Princeton Univ, Dept Chem Princeton, NJ 08544 USA Princeton Univ, Dept Mech and Aerosp Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Drexel Univ, Dept Chem Philadelphia, PA 19104 USA 0032 Polymer},
\r
5588 abstract = {An optimal control methodology is applied to the goal of lowering the reaction time while maintaining low polydispersity in living free-radical polymerization. An illustration using a nitroxide radical profile for living free-radical polymerization of styrene in a plug how reactor is provided. The reactor designs show that a distributed nitroxide radical Aux along the length of the reactor can reduce the reaction rime significantly for a given conversion. The reduction in residence time comes at the expense of a modest increase in polydispersity. A reference simulation with no optimization shows a conversion of 85% after 70 h and a final polydispersity of 1.31. Optimization of a 2,2,6,6-tetramethyl-1-piperidinyloxy flux results in a conversion of 90% after only 46 h while the polydispersity rises slightly to 1.42. The majority of the conversion takes place in the first 35 h. The theoretical designs, although not proven to be globally optimal, are of high quality. (C) 2000 Elsevier Science Ltd. All rights reserved. [References: 27] 27},
\r
5589 keywords = {Living polymerization. Nitroxide radical. Polydispersity.
\r
5590 End time policies. Chain polymerization. Rate enhancement. Styrene.
\r
5591 Polydispersity. Initiator. Polystyrene. Propagation. Conversion.
\r
5593 Organic Chemistry/Polymer Science in Current Contents(R)/Physical,
\r
5594 Chemical and Earth Sciences.
\r
5599 @book{Falkenauer1998_book,
\r
5600 author = {Falkenauer, Emanuel},
\r
5601 title = {Genetic algorithms and grouping problems},
\r
5602 publisher = {Wiley},
\r
5603 address = {Chichester; New York},
\r
5604 keywords = {Genetic algorithms.},
\r
5608 author = {Falkenauer, Emanuel and Marchand, A.},
\r
5609 title = {Using k-means? Consider Optichip},
\r
5610 booktitle = {Int. Conference on Mathematics and Engineering Techniques in Medicine and Biological Sciences},
\r
5611 address = {Las Vegas, USA},
\r
5616 author = {Fan, J. and Yao, Q.},
\r
5617 title = {Nonlinear Time Series},
\r
5618 publisher = {Springer},
\r
5619 address = {New-York},
\r
5623 @article{Farago1993,
\r
5624 author = {Farago, A. and Linder, T. and Lugosi, G.},
\r
5625 title = {Fast nearest-neighbor search in dissimilarity spaces},
\r
5626 journal = {Pattern Analysis and Machine Intelligence, IEEE Transactions on},
\r
5629 pages = {957-962},
\r
5630 keywords = {computational complexity
\r
5631 pattern recognition
\r
5633 O(1) asymptotic average complexity
\r
5634 dissimilarity calculations
\r
5635 dissimilarity spaces
\r
5636 exact probabilistic analysis
\r
5637 fast nearest-neighbor algorithm
\r
5638 high-dimensional spaces
\r
5639 nearest-neighbor search},
\r
5643 @book{Farrel2001_book,
\r
5644 author = {Farrel, D.},
\r
5645 title = {Electoral Systems: A Comparative Overview},
\r
5646 publisher = {St. Martin's Press},
\r
5647 address = {New York},
\r
5651 author = {Fasulo, D.},
\r
5652 title = {An analysis of recent work on clustering algorithms},
\r
5653 institution = {Department of Computer Science and Engineering, University of Washington},
\r
5654 number = {01-03-02},
\r
5658 author = {Ferguson, D.M. and Raber, D.J.},
\r
5659 title = {A new approach to probing conformational space with molecular mechanics: Random incremental pulse search},
\r
5660 journal = {Journal of the American Chemical Society},
\r
5663 pages = {4371-4378},
\r
5664 keywords = {molecular mechanics (MM)
\r
5665 molecular structure
\r
5667 conformational analysis},
\r
5671 @article{Fernandez2003_FSS,
\r
5672 author = {Fernandez Salido, J.M. and Murakami, S.},
\r
5673 title = {Extending {Y}ager?s orness concept for the {OWA} aggregators to other mean operators},
\r
5674 journal = {Fuzzy Sets and Systems },
\r
5676 pages = {515-542},
\r
5680 @book{Figueira2004_book,
\r
5681 author = {Figueira, J. and Greco, S. and Ehrgott, M.},
\r
5682 title = {Multiple Criteria Decision Analysis: State of the Art Surveys },
\r
5683 publisher = {Springer},
\r
5684 address = {Heidelberg},
\r
5688 @book{Figueira2005_book,
\r
5689 author = {Figueira, J. and Greco, S. and Ehrgott, M.},
\r
5690 title = {Multiple Criteria Decision Analysis: State of the Art Surveys },
\r
5691 publisher = {Springer},
\r
5692 address = {Heidelberg, Berlin, New York},
\r
5696 @article{Filev1998_fss,
\r
5697 author = {Filev, D. and Yager, R.},
\r
5698 title = {On the issue of obtaining OWA operator weights},
\r
5699 journal = {Fuzzy Sets and Systems},
\r
5701 pages = {157-169},
\r
5705 @article{Filzmoser2008_CSDA,
\r
5706 author = {Filzmoser, P. and Maronna, R. and Werner, M.},
\r
5707 title = {Outlier identification in high dimensions},
\r
5708 journal = {Computational Statistics and Data Analysis},
\r
5710 pages = {1694-1711},
\r
5714 @article{Fishburn1970,
\r
5715 author = {Fishburn, P.C.},
\r
5716 title = {Intransitive indifference in preference theory: a survey},
\r
5717 journal = {Operations Research},
\r
5722 @book{Fishburn1973,
\r
5723 author = {Fishburn, P.C.},
\r
5724 title = {The Theory of Social Choice},
\r
5725 publisher = {Princeton University Press},
\r
5726 address = {Princeton},
\r
5730 @book{Fletcher2000_book,
\r
5731 author = {Fletcher, R.},
\r
5732 title = {Practical Methods of Optimization},
\r
5733 publisher = {Wiley},
\r
5734 address = {New York},
\r
5735 edition = {2nd Edition},
\r
5739 author = {Flores-Sintas, A. and Cadenas, J. and Martin, F.},
\r
5740 title = {A local geometrical properties application to fuzzy clustering},
\r
5741 journal = {Fuzzy Sets and Systems},
\r
5743 pages = {245-256},
\r
5747 author = {Floudas, C. and Pardalos, P. and Adjiman, C. and Esposito, W. and Gumus, Z. and Harding, S. and Klepeis, J. and Meyer, C. and Schweiger, C.},
\r
5748 title = {Handbook of Test Problems for Local and Global Optimization},
\r
5749 publisher = {Kluwer},
\r
5753 @book{Floudas2000_book,
\r
5754 author = {Floudas, C. A.},
\r
5755 title = {Deterministic Global Optimization: Theory, Methods, and Applications},
\r
5756 publisher = {Kluwer Academic Publishers},
\r
5757 address = {Dordrecht; London},
\r
5759 series = {Nonconvex optimization and its applications},
\r
5762 by Christodoulos A. Floudas.
\r
5763 Includes bibliographical references and index.},
\r
5764 keywords = {Mathematical optimization.
\r
5765 Nonlinear programming.},
\r
5769 @article{Floudas2000_jpc,
\r
5770 author = {Floudas, C. A.},
\r
5771 title = {Global optimization in design and control of chemical process systems},
\r
5772 journal = {Journal of Process Control},
\r
5775 pages = {125-134},
\r
5776 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
5777 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0005 J. Process Control},
\r
5778 abstract = {This paper presents an overview of the recent advances in deterministic global optimization approaches and their applications in the areas of Process Design and Control. The focus is on global optimization methods for (a) twice-differentiable constrained nonlinear optimization problems, Cb) mi?;ed-integer nonlinear optimization problems, and (c) locating all solutions of nonlinear systems of equations. Theoretical advances and computational studies on process design, batch design under uncertainty, phase equilibrium, location of azeotropes, stability margin, process synthesis, and parameter estimation problems are discussed. (C) 2000 IFAC. Published by Elsevier Science Ltd. All rights reserved. [References: 59] 59},
\r
5779 keywords = {Global optimization. Twice differentiable nlps. Mixed-integer nonlinear
\r
5780 optimization. Locating all solutions. Alpha bb approach. Design and
\r
5782 Differentiable constrained nlps. Equilibrium problem. Nonconvex nlps.
\r
5783 Gop algorithm. Alpha-bb. Minlp problems. Phase. Programs. Equations.
\r
5785 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
5788 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
5789 Princeton, NJ 08544, USA, .},
\r
5793 @book{Floudas1990_book,
\r
5794 author = {Floudas, Christodoulos A. and Pardalos, P. M.},
\r
5795 title = {A collection of test problems for constrained global optimization algorithms},
\r
5796 publisher = {Springer-Verlag},
\r
5797 address = {Berlin; New York},
\r
5799 C.A. Floudas, P.M. Pardalos.
\r
5800 Lecture notes in computer science; 455.
\r
5801 Includes bibliographical references (p. [159]-180)
\r
5802 Lecture notes in computer science, 455.},
\r
5803 keywords = {Engineering mathematics.
\r
5804 Mathematical optimization.
\r
5805 Nonlinear programming.
\r
5810 author = {Floudas, C. A. and Visweswaran, V.},
\r
5811 title = {Primal-Relaxed Dual Global Optimization Approach},
\r
5812 journal = {Journal of Optimization Theory and Applications},
\r
5815 pages = {187-225},
\r
5816 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
5817 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0001},
\r
5818 abstract = {A deterministic global optimization approach is proposed for nonconvex constrained nonlinear programming problems. Partitioning of the variables, along with the introduction of transformation variables, if necessary, converts the original problem into primal and relaxed dual subproblems that provide valid upper and lower bounds respectively on the global optimum. Theoretical properties are presented which allow for a rigorous solution of the relaxed dual problem. Proofs of epsilon-finite convergence and epsilon-global optimality are provided. The approach is shown to be particularly suited to (a) quadratic programming problems, (b) quadratically constrained problems, and (c) unconstrained and constrained optimization of polynomial and rational polynomial functions. The theoretical approach is illustrated through a few example problems. Finally, some further developments in the approach are briefly discussed. [References: 37] 37},
\r
5819 keywords = {Global optimization. Quadratic programming. Polynomial functions.
\r
5820 Epsilon-optimal solutions.
\r
5821 Nonconvex nlps. Algorithm gop. Minimization. Programs.
\r
5823 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
5824 PRINCETON, NJ 08544, USA.},
\r
5828 author = {Floudas, D. A.},
\r
5829 title = {A Name for a Conflict or a Conflict for a Name - an Analysis of Greeces Dispute with Fyrom},
\r
5830 journal = {Journal of Political and Military Sociology},
\r
5833 pages = {285-321},
\r
5834 note = {Current Contents/Social and Behavioral Sciences},
\r
5835 abstract = {This article attempts an analysis of the Greek foreign policy during the dispute between Greece and the Former Yugoslav Republic of Macedonia, from its beginnings up until the 1995 interim accord signed between the two countries. It is to a large extent based on the author's personal research in Greek government archives and other unpublished sources, as well as on interviews with leading Greek politicians and diplomats who were immediately involved in the issue. It traces the origins of the controversy and portrays the current dispute as the latest stage in evolution of the Macedonian Question of the past. The diplomatic strategies of the two countries involved are examined for the 1991-1995 period. In addition, the content and significance of the contentious issues of this debate are put under scrutiny. Finally, the factors which contributed to the diplomatic exacerbation of the issue (causing a failure of both parties to secure a resolution to the dispute that they would consider as ''positive'') are analyzed and the general repercussions for the Balkans' geopolitical status quo are outlined. [References: 63]},
\r
5836 keywords = {Political science and public administration.},
\r
5840 author = {Floudas, G.},
\r
5841 title = {Change of Microscopic Friction in Concentrated Polystyrene Solutions},
\r
5842 journal = {Journal of Non-Crystalline Solids},
\r
5844 number = {Part 2},
\r
5845 pages = {729-732},
\r
5846 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
5847 Reprint available from: Floudas G MAX PLANCK INST POLYMER RES POSTFACH 3148 D-55021 MAINZ GERMANY 0010},
\r
5848 abstract = {Measurements of microscopic friction in two concentrated polystyrene solutions are reported over a broad temperature and concentration range as obtained from depolarized Rayleigh scattering and dielectric spectroscopy. The microscopic friction is extracted from the degree of alteration of the solvent reorientation by the presence of polymer chains. The dependence of the solvent microscopic friction on polymer concentration changes from an exponential law at high temperatures to a much stronger dependence at temperatures near the solvent glass transition, T-g. In addition, toluene molecules experience a greater friction than dioctylphthalate in the concentrated polystyrene solutions when compared at (low) temperatures equidistant from the solvent T-g. There is a reversal of the solvent microscopic friction in the two systems in going from high to low temperatures as a result of the greater difference between the two timescales for the more mobile solvent (toluene). [References: 14] 14},
\r
5849 keywords = {Polymer-solutions. Aroclor solutions. Toluene solutions. Solvent
\r
5850 dynamics. Scattering. Spectroscopy. Relaxation. Mobility.
\r
5851 Applied physics/condensed matter.
\r
5852 Reprint available from: Floudas G. MAX PLANCK INST POLYMER RES, POSTFACH
\r
5853 3148, D-55021 MAINZ, GERMANY.},
\r
5857 author = {Floudas, G. and Alig, I. and Avgeropoulos, A. and Hadjichristidis, N.},
\r
5858 title = {Dynamic Probe of the Interface in Lamellar Forming Non-Linear Block Copolymers of the (Ba)(3)B and (Ba)(3)B(Ab)(3) Type - a Dielectric Spectroscopy Study},
\r
5859 journal = {Journal of Non-Crystalline Solids},
\r
5861 pages = {485-490},
\r
5862 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
5863 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER POB 1527 IRAKLION 71110 CRETE GREECE DEUTSCH KUNSTSTOFF INST D-64249 DARMSTADT GERMANY UNIV ATHENS DEPT CHEM ATHENS 15771 GREECE},
\r
5864 abstract = {Dielectric spectroscopy is employed in lamellar forming non-linear block copolymers of the type (BA)(3)B and (BA)(3)B(AB)(3) based on polyisoprene (A) and polystyrene (B), at temperatures well below the order-to-disorder transition temperature and below the glass transition temperature of the hard phase (polystyrene). We show here that dielectric spectroscopy can be used as a tool to probe the interface in ordered block copolymers with a basic triblock unit. Our estimate of the interfacial width is based on the mobility of the junction points at the interface and compares favorably with the estimated thickness from thermodynamics. (C) 1998 Elsevier Science B.V. All rights reserved. [References: 10]},
\r
5865 keywords = {Microphase separation.
\r
5866 Applied physics/condensed matter/materials science.},
\r
5870 author = {Floudas, G. and Antonietti, M. and Forster, S.},
\r
5871 title = {Dielectric relaxation in poly(styrene-b-butadiene) copolymers with perfluorinated side chains},
\r
5872 journal = {Journal of Chemical Physics},
\r
5875 pages = {3447-3451},
\r
5876 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
5877 Reprint available from: Floudas G Fdn Res and Technol Hellas, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Greece Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Greece Max Planck Inst Kolloid and Grenzflachenforsch D-14424 Potsdam Germany 0062 J. Chem. Phys},
\r
5878 abstract = {The dynamics of several poly(styrene-b-butadiene) (PS-PB) copolymers with fluorocarbon side chains have been studied with dielectric spectroscopy, covering two different mesophases with long spacings between 10 and 30 nm, and two different tail lengths. It is found that fluorination results in comparably rigid side chains in the PB domains with highly anisotropic properties. In the glassy state an Arrhenius relaxation was found with an activation energy of 7.4 kcal/mol reflecting some local side chain relaxation. Above the PB glass transition a bimodal relaxation exists, comprising two cooperative processes reflecting solely the anisotropic dynamics of the side chain. The dual relaxation resembles the anisotropic dielectric properties of side chain liquid crystalline polymers in the absence of macroscopic orientation. (C) 2000 American Institute of Physics. [S0021-9606(00)50832-0]. [References: 29] 29},
\r
5879 keywords = {Microphase-separation transition. Molecular-weight dependence.
\r
5880 Liquid-crystalline. Diblock copolymers. Block-copolymers. Spacer
\r
5881 length. Polymers. Dynamics. Polyisoprene. Spectroscopy.
\r
5882 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
5883 Chemical and Earth Sciences.
\r
5885 Reprint available from: Floudas G. Fdn Res and Technol Hellas, Inst Elect
\r
5886 Struct and Laser, POB 1527, Heraklion 71110, Greece.},
\r
5890 author = {Floudas, G. and Fytas, G. and Hadjichristidis, N. and Pitsikalis, M.},
\r
5891 title = {Metastable States Below the Order-Disorder Transition in a Symmetric Diblock Copolymer - a Time-Resolved Depolarized Light Scattering Study},
\r
5892 journal = {Macromolecules},
\r
5895 pages = {2359-2362},
\r
5896 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
5897 Reprint available from: Floudas G HELLAS INST ELECTR STRUCT and LASER FDN RES and TECHNOL POB 1527 GR-71110 IRAKLION GREECE UNIV ATHENS DEPT CHEM GR-15771 ZOGRAFOS GREECE 0032},
\r
5898 abstract = {Depolarized light scattering has been used to study the ordering kinetics in a symmetric poly(styrene-b-isoprene) copolymer melt. The depolarized intensity variation with time following a quench from the disordered phase provides an estimate of the grain size which is consistent with the result from the SAXS experiment. The mechanism of grain relaxation is discussed in terms of rotational motions in the mobile environment. The dissolution of the initially ordered structure is much faster (t < 10(2) s) than the ordering process. [References: 22] 22},
\r
5899 keywords = {Optical anisotropy. Birefringence. Microstructure. Chains.
\r
5900 Organic chemistry/polymer science.
\r
5901 Reprint available from: Floudas G. HELLAS INST ELECTR STRUCT and LASER, FDN
\r
5902 RES and TECHNOL, POB 1527, GR-71110 IRAKLION.},
\r
5906 author = {Floudas, G. and Fytas, G. and Pispas, S. and Hadjichristidis, N. and Pakula, T. and Khokhlov, A. R.},
\r
5907 title = {Statics and Dynamics of Omega-Functionalized Block Copolymers of Styrene and Isoprene},
\r
5908 journal = {Macromolecules},
\r
5911 pages = {5109-5118},
\r
5912 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
5913 Reprint available from: Floudas G HELLAS INST ELECTR STRUCT and LASER FDN RES and TECHNOL POB 1527 GR-71110 IRAKLION GREECE UNIV ATHENS DEPT CHEM GR-15771 ZOGRAFOS GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY MOSCOW MV LOMONOSOV STATE UNIV DEPT PHYS MOSCOW 117234 RUSSIA 0045},
\r
5914 abstract = {The statics and dynamics of omega-functionalized diblock copolymers of styrene and isoprene have been studied with small-angle X-ray scattering(SAXS) and with theology and dielectric spectroscopy. The asymmetric diblock copolymers (w(PS) approximate to 30%) had a dimethylamino or zwitterion group at either end of the chain, and the molecular weights were in the range (0.62-2.44) x 10(4). Depending on the temperature, the SAXS results revealed two separate levels of microphase separation, one between the polystyrene (PS) and polyisoprene (PI) blocks forming the microdomain structure and another one between ionic and nonionic material. The latter process creates sufficient contrast notwithstanding the small fraction of the zwitterionic groups. When the zwitterion is linked to the PI chain end, aggregates are formed at low temperatures within the PI phase. These aggregates manifest themselves both in theology and in dielectric spectroscopy, respectively, with an extended rubbery plateau and with a new dielectric process associated with restricted PI segmental relaxation. When the zwitterion is located on the PS chain end, association takes place, at high temperatures, within the PS phase and acts to stabilize the new microdomain up to very high temperatures. When compared with neutral diblocks, the omega-functionalized diblock copolymers constitute a new class of materials which provide the possibility of altering the phase behavior by introducing a small amount of a polar group at one chain end. [References: 41] 41},
\r
5915 keywords = {Zwitterion end groups. X-ray-scattering. Ionic aggregation.
\r
5916 Association behavior. Star copolymers. Ionomers. Model. Polymers.
\r
5917 Polyisoprenes. Polystyrenes.
\r
5918 Organic chemistry/polymer science.
\r
5919 Reprint available from: Floudas G. HELLAS INST ELECTR STRUCT and LASER, FDN
\r
5920 RES and TECHNOL, POB 1527, GR-71110 IRAKLION.},
\r
5924 author = {Floudas, G. and Fytas, G. and Pispas, S. and Hadjichristidis, N. and Pakula, T. and Khokhlov, A. R.},
\r
5925 title = {Self-Assembly in Omega-Functionalized Block Copolymers of Styrene and Isoprene},
\r
5926 journal = {Macromolecular Symposia},
\r
5928 pages = {137-146},
\r
5929 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
5930 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECTR STRUCT and LASER POB 1527 GR-71110 IRAKLION CRETE GREECE UNIV ATHENS DEPT CHEM GR-15771 ZOGRAFOS GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY MOSCOW MV LOMONOSOV STATE UNIV DEPT PHYS MOSCOW 117234 RUSSIA 0013},
\r
5931 abstract = {The spatial organization of end-functionalized diblock copolymers of styrene and isoprene revealed two separate levels of microphase separation: one between the two blocks forming the microdomain and another between the polar and non-polar material. The association produced by the latter process has a pronounced effect on the dynamics as revealed in rheology and dielectric spectroscopy. The introduction of a polar group into the different chain-ends has a dramatic effect on the phase behavior of the diblock copolymers and provides new ways of controlling their miscibility. [References: 17] 17},
\r
5932 keywords = {X-ray-scattering. Ionic aggregation. Ionomers. Relaxation. Model.
\r
5933 Organic chemistry/polymer science.
\r
5934 Reprint available from: Floudas G. FDN RES and TECHNOL HELLAS, INST ELECTR
\r
5935 STRUCT and LASER, POB 1527, GR-71110 IRAKLION.},
\r
5939 author = {Floudas, G. and Fytas, G. and Reisinger, T. and Wegner, G.},
\r
5940 title = {Pressure-induced dynamic homogeneity in an athermal diblock copolymer melt},
\r
5941 journal = {Journal of Chemical Physics},
\r
5944 pages = {9129-9132},
\r
5945 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
5946 Reprint available from: Floudas G Fdn Res and Technol Hellas, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Crete Greece Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Max Planck Inst Polymerforsch D-55021 Mainz Germany 0002 J. Chem. Phys},
\r
5947 abstract = {We report on the effect of pressure on the dual segmental relaxation of an athermal poly(isoprene-b-vinylethylene) (PI-PVE) diblock copolymer melt using dielectric spectroscopy. The quantity (partial derivative log tau/partial derivative P)(T) is employed as a probe of the state of dynamic miscibility in the system. We find that pressure, unlike temperature, induces dynamic homogeneity. (C) 1999 American Institute of Physics. [S0021-9606(99)52244-7]. [References: 29] 29},
\r
5948 keywords = {Miscible polymer blends. Component dynamics. Segmental dynamics.
\r
5949 Deuteron nmr. State.
\r
5950 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
5951 Chemical and Earth Sciences.
\r
5953 Reprint available from: Floudas G. Fdn Res and Technol Hellas, Inst Elect
\r
5954 Struct and Laser, POB 1527, Heraklion 71110, Crete.},
\r
5958 author = {Floudas, G. and Gravalides, C. and Reisinger, T. and Wegner, G.},
\r
5959 title = {Effect of pressure on the segmental and chain dynamics of polyisoprene. Molecular weight dependence},
\r
5960 journal = {Journal of Chemical Physics},
\r
5963 pages = {9847-9852},
\r
5964 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
5965 Reprint available from: Floudas G Fdn Res and Technol Hellas, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Crete Greece Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Max Planck Inst Polymerforsch D-55021 Mainz Germany 0052 J. Chem. Phys},
\r
5966 abstract = {We report on the effect of pressure on the relaxation modes of the type-A polymer polyisoprene as a function of the chain length for M/M-e ratio's (M-e is the entanglement molecular weight): 1/5, 1/2, 2/3, 2, and 5. We find that the spectral shape of the segmental and normal modes is invariant under temperature (T) and pressure (P) variations, but the time-pressure superposition fails as a consequence of the stronger P dependence of the segmental mode. The segmental mode activation volume for the different molecular weights was found to scale with the temperature difference from the respective glass transition temperature. Pressure is found to slow down both modes in a quantitatively similar way, irrespective of the chain length, implying that M-e is largely independent of pressure. (C) 1999 American Institute of Physics. [S0021-9606(99)51845-X]. [References: 19] 19},
\r
5967 keywords = {Dielectric-spectroscopy. Glass-transition. Temperature.
\r
5968 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
5969 Chemical and Earth Sciences.
\r
5971 Reprint available from: Floudas G. Fdn Res and Technol Hellas, Inst Elect
\r
5972 Struct and Laser, POB 1527, Heraklion 71110, Crete.},
\r
5976 author = {Floudas, G. and Hadjichristidis, N. and Iatrou, H. and Avgeropoulos, A. and Pakula, T.},
\r
5977 title = {Microphase Separation in Super-H-Shaped Block Copolymer Colloids},
\r
5978 journal = {Macromolecules},
\r
5981 pages = {6943-6950},
\r
5982 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
5983 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER POB 1527 IRAKLION 71110 CRETE GREECE UNIV ATHENS DEPT CHEM ATHENS 15771 GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY},
\r
5984 abstract = {Block copolymers of the A(3)BA(3) type with a short connector block B exhibit features known in multi-arm star polymers in addition to their block, copolymer nature. We have studied the ordered state morphology and the order-to-disorder transition (ODT) in three model super I-I-shaped block copolymer melts of the A3BA3 type. From the three asymmetric nonlinear block copolymers (0.07 < f(B) < 0.35, B is polystyrene (PS)) one is in the homogeneous disordered phase (f(PS) = 0.072), another is in the ordered phase (f(PS) = 0.345), and the third (f(PS) = 0.118) undergoes an order-to-disorder transition in a temperature range accessible by SAXS and rheology. In the former experiment the ODT has been identified from the discontinuous changes in the peal; intensity and width, whereas in the latter it has been identified by the discontinuous drop of the storage modulus. The SAXS results have shown a peculiar T dependence of the peak position q*, which is attributed to the starlike nature of the system. TEM and SAXS identify the morphology of the f(PS) = 0.118 Sample as spheres organized in a body-centered-cubic (bcc) lattice with each domain consisting of about 40 connector blocks (PS), whereas in the fps = 0.345 sample, PS cylinders are packed in a hexagonal lattice. At some temperatures in the vicinity of the T-ODT two states with very different viscosities exist and large amplitude deformation and/or temperature results in a transformation from the high (state I) to the low viscosity state (state II). To identify the associated structural changes, we have compared the viscoelastic response of each state to the corresponding structural profiles. We found that the viscoelastic response in state I is controlled by the relaxation of grains whereas in state II it is controlled by the relaxation of individual domains in the absence of long range order. At low shear rates, below the grain relaxation, we identify a flow regime that is a consequence of the colloidal nature of these block copolymers. [References: 27]},
\r
5985 keywords = {Symmetrical diblock copolymer. Order-disorder transition. Metastable
\r
5986 states. Kinetics. Melts. Isoprene. Styrene. Star. Fluctuations.
\r
5988 Organic chemistry/polymer science.},
\r
5992 author = {Floudas, G. and Hadjichristidis, N. and Iatrou, H. and Pakula, T.},
\r
5993 title = {Microphase Separation in Model 3-Miktoarm Star Co- and Terpolymers .2. Dynamics},
\r
5994 journal = {Macromolecules},
\r
5997 pages = {3139-3146},
\r
5998 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
5999 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECTR STRUCT and LASER POB 1527 GR-71110 IRAKLION GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY UNIV ATHENS DEPT CHEM GR-15771 ZOGRAFOS ATHENS GREECE 0012},
\r
6000 abstract = {Dielectric spectroscopy has been employed to study the local and global dynamics of polyisoprene in the asymmetric star (polystyrene)(polyisoprene)(2) (SI2) and in the 3-miktoarm star terpolymer (polystyrene)(polyisoprene)(polybutadiene) (SIE). All measurements refer to the ordered phase where PS cylinders are embedded on the I and I/B matrix, respectively. Effectively, we are studying the local and global dynamics of tethered PI chains in two environments: one made by I-chains (SI2) and another by the I/B-chains(SIB). At low temperatures, the PI local segmental dynamics in SI2 and SIE are different, reflecting the modification of the local friction by introducing the faster PB chains in the latter. At higher temperatures, however, this effect diminishes due to the demixing of I and B. To explore the thermodynamic and mobility effects on the global dynamics, we have studied, respectively, a ternary blend composed of PI, PB, and PS and binary blends of SIB and SIE with short PB chains. The PI global dynamics in SI2 and SIE resemble the dynamics of PS stars with additional entanglement effects in the latter. [References: 65] 65},
\r
6001 keywords = {Slow dielectric-relaxation. Cis-polyisoprene. Diblock copolymers.
\r
6002 Molecular-dynamics. Polybutadiene networks. Concentrated-solutions.
\r
6003 Constraint release. Block copolymers. Light-scattering. Shaped
\r
6005 Organic chemistry/polymer science.
\r
6006 Reprint available from: Floudas G. FDN RES and TECHNOL HELLAS, INST ELECTR
\r
6007 STRUCT and LASER, POB 1527, GR-71110 IRAKLION.},
\r
6011 author = {Floudas, G. and Hadjichristidis, N. and Iatrou, H. and Pakula, T. and Fischer, E. W.},
\r
6012 title = {Microphase Separation in Model 3-Miktoarm Star Copolymers (Simple Graft) and Terpolymers .1. Statics and Kinetics},
\r
6013 journal = {Macromolecules},
\r
6016 pages = {7735-7746},
\r
6017 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
6018 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECTR STRUCT and LASER POB 1527 GR-71110 IRAKLION GREECE UNIV ATHENS DEPT CHEM GR-15771 ATHENS GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY 0032},
\r
6019 abstract = {The static and kinetic aspects of the order-disorder transition (ODT) in newly synthesized model 3-miktoarm star copolymer (simple graft) of SI2 type, (polystyrene)(polyisoprene)(2), and a 3-miktoarm star terpolymer of SIB type, (polystyrene)(polyisoprene)(polybutadiene), have been studied using small-angle X-ray scattering (SAXS) and rheology. The morphology and the order-disorder transition temperature (T-ODT) have been identified from the two-dimensional SAXS patterns with shear-oriented samples. Hexagonally ordered cylindrical microdomains aligned along the direction of shear and with T-ODT = 379 K have been formed for both samples studied. The SAXS profiles at temperatures well above the T-ODT have been fitted to the mean-field theory (MFT) for graft copolymers. Near the ODT deviations from the theory have been observed and the SAXS data provide unambiguous evidence for the existence of fluctuations. The T-ODT obtained from theology is in excellent agreement with the one from SAXS. Discontinuities in the SAXS peak intensity and in the storage modulus near the T-ODT are more pronounced in these systems as compared to linear diblocks. The ordering kinetics have been studied with theology and complementary with SAXS. The width of the kinetically accessible metastable region is enlarged as compared to linear diblocks. For shallow quenches the ordering proceeds by heterogeneous nucleation and growth of three-dimensional grains with-cylindrical microstructure. Our kinetic studies probe the metastable states near but below the T-ODT. [References: 45] 45},
\r
6020 keywords = {Order-disorder transition. Angle neutron-scattering. Diblock
\r
6021 copolymers. Block copolymers. Polybutadiene blends. Light-scattering.
\r
6022 Miscibility. Melts. Polystyrenes. Rheology.
\r
6023 Organic chemistry/polymer science.
\r
6024 Reprint available from: Floudas G. FDN RES and TECHNOL HELLAS, INST ELECTR
\r
6025 STRUCT and LASER, POB 1527, GR-71110 IRAKLION.},
\r
6029 author = {Floudas, G. and Hadjichristidis, N. and Stamm, M. and Likhtman, A. E. and Semenov, A. N.},
\r
6030 title = {Microphase Separation in Block Copolymer/Homopolymer Blends - Theory and Experiment},
\r
6031 journal = {Journal of Chemical Physics},
\r
6034 pages = {3318-3328},
\r
6035 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
6036 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER POB 1527 IRAKLION 71110 CRETE GREECE UNIV ATHENS DEPT CHEM ZOGRAFOS 15771 ATHENS GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY MOSCOW MV LOMONOSOV STATE UNIV DEPT PHYS MOSCOW 117234 RUSSIA UNIV LEEDS DEPT APPL MATH LEEDS LS2 9JT W YORKSHIRE ENGLAND},
\r
6037 abstract = {The process of microphase separation in diblock copolymer/homopolymer blends is studied both theoretically and experimentally for an asymmetric diblock copolymer and for homopolymer concentration less than 25%. The degree of polymerization of the added homopolymer (N-h) covered all possible cases; N approximate to N-h, N>N-h, and N<N-h. SAXS and rheology are employed and provide the order-disorder transition temperature through the discontinuous changes of the structure factor and the storage modulus, The minority phase can solubilize only a small amount of added homopolymer; addition of a higher amount results in the formation of nonequilibrium structures. Theoretical calculations performed in the strong segregation limit provide the period and the critical value of chi N for the stability of the disordered phase. The theory predicts that (chi N)(c) always increases with the addition of the majority phase. When the minority phase is added, (chi N)(c) can increase (N much greater than N-h and N greater than or equal to N-h) or decrease (N much less than N-h). The experimental results are in good agreement with the theoretical predictions for the two extreme cases; N much greater than N-h and N much less than N-h, but differ when the minority component is added with N greater than or equal to N-h. These results demonstrate that the degree of compatibility between the two blocks of the diblock AB can be effectively controlled by adding a small amount of homopolymer A or B. (C) 1997 American Institute of Physics. [References: 38]},
\r
6038 keywords = {Copolymer-homopolymer blends. Diblock copolymer. Phase-equilibria.
\r
6039 Spatial-distribution. Ordered structures. Molecular-weight. Star
\r
6040 copolymers. Co-polymers. Mixtures. Transition.
\r
6041 Physical chemistry/chemical physics.},
\r
6045 author = {Floudas, G. and Hadjichristidis, N. and Tselikas, Y. and Erukhimovich, I.},
\r
6046 title = {Microphase Separation in Model 4-Miktoarm Star Copolymers of the Ab(3) Type},
\r
6047 journal = {Macromolecules},
\r
6050 pages = {3090-3096},
\r
6051 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
6052 Reprint available from: Floudas G INST ELECT STRUCT and LASER FORTH POB 1527 IRAKLION 71110 CRETE GREECE UNIV ATHENS DEPT CHEM ZOGRAFOS 15771 ATHENS GREECE MOSCOW MV LOMONOSOV STATE UNIV DEPT PHYS MOSCOW 117234 RUSSIA},
\r
6053 abstract = {The order-disorder transition has been studied in two AB(3) miktoarm stars of styrene and isoprene with SAXS and theology. A mean-field theory has been developed to treat the most general case of miktoarm stars: A(m)B(n) (m not equal n) which provides the phase stability criteria and the static structure factor in the disordered phase. The theory predicts a maximum in the critical value of chi N-t (N-t=N-A+ nN(B)) as a function of the number of arms n in AB(n), for n=3. This maximum arises from a delicate balance between the stretching free energies of the A and B blocks forming the miktoarm stars. The theoretical predictions for the phase stability and the structure factor have been tested experimentally, using SAXS, and the interaction parameter has been extracted. The latter exhibits a weak T-dependence which is consistent with fluctuation effects near the transition. Further evidences for the existence of fluctuations at temperatures above and below the transition are provided by (i) the nonlinearity of the inverse peak intensity vs inverse temperature, in the disordered state, and (ii) the existence of metastable states in the ordered state. All SAXS peak parameters were discontinuous at the order-to-disorder transition, revealing a first-order transition. [References: 39]},
\r
6054 keywords = {Order-disorder transition. Symmetrical diblock copolymer.
\r
6055 Block-copolymers. Metastable states. Kinetics. Graft. Melts.
\r
6056 Architecture. Terpolymers. Scattering.
\r
6057 Organic chemistry/polymer science.},
\r
6061 author = {Floudas, G. and Hilliou, L. and Lellinger, D. and Alig, I.},
\r
6062 title = {Shear-induced crystallization of poly(epsilon-caprolactone). 2. Evolution of birefringence and dichroism},
\r
6063 journal = {Macromolecules},
\r
6066 pages = {6466-6472},
\r
6067 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
6068 Reprint available from: Floudas G FORTH, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Greece FORTH, Inst Elect Struct and Laser Heraklion 71110 Greece Deutsch Kunststoff Inst Darmstadt D-64287 Darmstadt Germany 0038 Macromolecules},
\r
6069 abstract = {mie have studied the crystallization of poly(epsilon-caprolactone) (PCL) with in situ optical rheometry and ex situ optical microscopy as a function of applied stress. The evolution of the birefringence and dichroism was monitored in parallel with the viscosity following a temperature jump from the melt to a final crystallization temperature for different values of stress. In optical microscopy we found an increased nucleation density which resulted in the speed-up of the crystallization process in the strained samples as detected by optical rheometry. Changes in the crystal structure observed in optical microscopy were found to correlate well with the evolution of birefringence and dichroism. An increasing volume fraction of axialites at early times and crystal branching and randomization in orientation at later times were found to control the signal from optical rheometry. A decoupling of the evolution of shear viscosity from the optical rheometry signals has been observed at high shear stress attributed to partial crystal melting. Application of a short step stress prior to crystallization is adequate to speed up the crystallization process due to the enhanced nucleation density. [References: 26] 26},
\r
6070 keywords = {Flow-induced crystallization. Polyethylene melt. Polymeric liquids.
\r
6071 Opto-rheometry. Polypropylene. Poly(ethylene-terephthalate).
\r
6072 Organic Chemistry/Polymer Science in Current Contents(R)/Physical,
\r
6073 Chemical and Earth Sciences.
\r
6075 Reprint available from: Floudas G. FORTH, Inst Elect Struct and Laser, POB
\r
6076 1527, Heraklion 71110, Greece.},
\r
6080 author = {Floudas, G. and Meramveliotaki, K. and Hadjichristidis, N.},
\r
6081 title = {Segmental and chain dynamics of polyisoprene in block copolymer/homopolymer blends. A dielectric spectroscopy study},
\r
6082 journal = {Macromolecules},
\r
6085 pages = {7496-7503},
\r
6086 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
6087 Reprint available from: Floudas G Fdn Res and Technol Hellas, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Crete Greece Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Univ Athens, Dept Chem Athens 15771 Greece 0022 Macromolecules},
\r
6088 abstract = {The local and global dynamics of polyisoprene (PI) have been studied in a well-defined restricted environment. The restriction is provided by the thermodynamic field of segregated poly(styrene-b-isoprene) (SI) diblock copolymers. The copolymers were nearly symmetric in composition, and the amount of added PI's was kept below 20% to ensure the absence of macrophase separation in the blends. Two studies have been made. In the first study, different PI's with molecular weights in the range from 1.2 x 10(3) to 5.5 x 10(4) have been added to a symmetric SI diblock copolymer. We found that both the homopolymer and PI block dynamics are modified in the blends, and the degree of modification can be qualitatively accounted for by the reptation and arm-retraction mechanisms, respectively. A quantitative comparison, however, would require an unrealistic increase of the entanglement molecular weight. In addition, for the higher molecular weight homopolymers there is an effect on the homopolymer chain dynamics due to the confinement within the center of the lamellae. In a second study, the same PI was inserted in different (symmetric) SI diblock copolymers with an increasing degree of segregation. We found a dynamic signature of the homopolymer localization imposed by the thermodynamic field. Block copolymer/homopolymer blends are model systems for studying the effect of confinement on the local and global dynamics. [References: 31] 31},
\r
6089 keywords = {Microphase separation. Molecular-weight. Cis-polyisoprene. Copolymer.
\r
6090 Behavior. Polymers. Fluctuations. Homopolymer. Transition.
\r
6092 Organic Chemistry/Polymer Science in Current Contents(R)/Physical,
\r
6093 Chemical and Earth Sciences.
\r
6095 Reprint available from: Floudas G. Fdn Res and Technol Hellas, Inst Elect
\r
6096 Struct and Laser, POB 1527, Heraklion 71110, Crete.},
\r
6100 author = {Floudas, G. and Pakula, T. and Fischer, E. W.},
\r
6101 title = {Density and Concentration Fluctuations in Plasticized Poly(Cyclohexyl Methacrylate) as Studied by X-Ray Diffraction},
\r
6102 journal = {Macromolecules},
\r
6105 pages = {917-922},
\r
6106 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
6107 Reprint available from: Floudas G MAX PLANCK INST POLYMER RES POSTFACH 3148 D-55021 MAINZ GERMANY 0006},
\r
6108 abstract = {Small-angle X-ray scattering (SAXS) and pressure-volume-temperature (PVT) measurements are employed in bulk and plasticized poly(cyclohexyl methacrylate) (PCHMA) in the temperature range 252-448 K and provide a way of separating the density from the concentration fluctuations. We show that the density fluctuations are suppressed in the mixtures and that the concentration fluctuations increase with plasticizer content. Rayleigh-Brillouin scattering was also employed on the same mixtures, and the contribution of propagating density fluctuations (phonons) to the total fluctuations was evaluated at T above and below the glass transition temperature T(g). The excess intensities in the light scattering (LS) and SAXS studies of bulk PCHMA make necessary the introduction of two additional Landau-Placzek ratios, not treated by conventional theories of the liquid state. [References: 21] 21},
\r
6109 keywords = {Polymers. Temperature. Scattering. Pressure. Volume.
\r
6110 Organic chemistry/polymer science.
\r
6111 Reprint available from: Floudas G. MAX PLANCK INST POLYMER RES, POSTFACH
\r
6112 3148, D-55021 MAINZ, GERMANY.},
\r
6116 author = {Floudas, G. and Pakula, T. and Fischer, E. W. and Hadjichristidis, N. and Pispas, S.},
\r
6117 title = {Ordering Kinetics in a Symmetric Diblock Copolymer},
\r
6118 journal = {Acta Polymerica},
\r
6121 pages = {176-181},
\r
6122 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
6123 Reprint available from: Floudas G FDN RES and TECHNOL POB 1527 GR-71110 IRAKLION GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY UNIV ATHENS DEPT CHEM ATHENS GREECE 0007},
\r
6124 abstract = {Small angle X-ray scattering (SAXS) and rheology are employed to study the microphase separation transition in a symmetric poly(styrene-b-isoprene) diblock copolymer. The order-disorder transition temperature T(ODT) has been identified with a good precision (T(ODT)=359 K) and the interaction parameter is extracted using mean field theory at temperatures well above T(ODT). The kinetics of microphase separation have been studied by means of rheology in a small temperature range below the order-disorder transition, following a quench from the disordered state. The time evolution of the storage and loss moduli exhibited shapes which are reminiscent of the crystallization isotherms of semicrystalline materials (of the Avrami type). For shallow quenches, we find a temperature range of 3 K below T(ODT) where the ordering proceeds by heterogeneous nucleation and growth of three-dimensional objects with lamellar microstructure. At higher undercooling, the kinetic curves change in form,indicating a different mechanism of structure formation. Our results are compared with theoretical predictions for the ordering kinetics of symmetric diblocks. [References: 18] 18},
\r
6125 keywords = {Microphase separation transition.
\r
6126 Organic chemistry/polymer science.
\r
6127 Reprint available from: Floudas G. FDN RES and TECHNOL, POB 1527, GR-71110
\r
6128 IRAKLION, GREECE.},
\r
6132 author = {Floudas, G. and Pakula, T. and Velis, G. and Sioula, S. and Hadjichristidis, N.},
\r
6133 title = {Equilibrium Order-to-Disorder Transition Temperature in Block Copolymers},
\r
6134 journal = {Journal of Chemical Physics},
\r
6137 pages = {6498-6501},
\r
6138 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
6139 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER POB 1527 IRAKLION 71110 CRETE GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY UNIV ATHENS DEPT CHEM ATHENS 15771 GREECE},
\r
6140 abstract = {The process of order-to-disorder transition (ODT) has been studied in a symmetric diblock copolymer AB and in an asymmetric miktoarm star block copolymer of the AB(3) type. We find that the T-ODT depends on the ordering temperature just as the melting temperature in semicrystalline homopolymers depends on the crystallization temperature. In this work we show, for the first time, the existence of an equilibrium transition temperature (T-ODT(0)) and we demonstrate how this can be obtained. The dependence of the apparent T'(ODT) on the supercooling is attributed to grains of different sizes. (C) 1998 American Institute of Physics. [S0021-9606(98)52115-0]. [References: 19]},
\r
6141 keywords = {Microphase separation transition. Symmetrical diblock copolymer.
\r
6142 Metastable states. Kinetics. Isoprene. Styrene. Melts.
\r
6143 Physical chemistry/chemical physics.},
\r
6147 author = {Floudas, G. and Paraskeva, S. and Hadjichristidis, N. and Fytas, G. and Chu, B. and Semenov, A. N.},
\r
6148 title = {Dynamics of Polyisoprene in Star Block Copolymers Confined in Microstructures - a Dielectric Spectroscopy Study},
\r
6149 journal = {Journal of Chemical Physics},
\r
6152 pages = {5502-5509},
\r
6153 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
6154 Reprint available from: Floudas G INST ELECT STRUCT and LASER FDN RES and TECHNOL HELLAS POB 1527 GR-71110 IRAKLION CRETE GREECE UNIV ATHENS DEPT CHEM GR-15771 ZOGRAFOS ATHENS GREECE SUNY STONY BROOK DEPT CHEM STONY BROOK, NY 11794 USA UNIV LEEDS DEPT APPL MATH LEEDS LS2 9JT W YORKSHIRE ENGLAND},
\r
6155 abstract = {Dielectric spectroscopy has been employed to study selectively the local and global dynamics of polyisoprene (PI) in three microphase separated star diblock copolymers (SI)(4), where PI and polystyrene (PS) form the core and corona, respectively, The thermally induced order-to-disorder transition (ODT) has been identified by theology and small-angle x-ray scattering (SAXS), All dielectric measurements were made at temperatures well below the ODT and the polystyrene glass transition temperatures, where the four PI chain ends are tethered by the glassy polystyrene domains. The ordered state morphology, studied by SAXS, revealed the formation of PS spheres (f(PS) = 0.25, where f(PS) is the polystyrene volume fraction), polyisoprene cylinders (f(PS) = 0.68), and a lamellar structure (f(PS) = 0.41) in the three copolymers. Ln contrast to the local segmental motions, the chain orientational dynamics associated with the amplitude and the characteristic relaxation time are strongly influenced by the spatial confinement. The main effects are the suppressed amplitude and the enhanced chain mobility, which are predicted and found to be stronger if the star topology is accompanied by topological (entanglement) effects of the PI block, irrespective of the ordered star morphology. (C) 1997 American Institute of Physics. [References: 40]},
\r
6156 keywords = {Normal mode process. Asymmetrically inverted dipoles. Linear
\r
6157 cis-polyisoprenes. Microphase separation. Diblock copolymers.
\r
6158 Polybutadiene networks. Molecular-dynamics. Bulk systems. Relaxation.
\r
6160 Physical chemistry/chemical physics.},
\r
6164 author = {Floudas, G. and Pispas, S. and Hadjichristidis, N. and Pakula, T. and Erukhimovich, I.},
\r
6165 title = {Microphase Separation in Star Block Copolymers of Styrene and Isoprene - Theory, Experiment, and Simulation},
\r
6166 journal = {Macromolecules},
\r
6169 pages = {4142-4154},
\r
6170 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
6171 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECTR STRUCT and LASER POB 1527 GR-71110 IRAKLION CRETE GREECE UNIV ATHENS DEPT CHEM GR-15771 ZOGRAFOS GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY MOSCOW MV LOMONOSOV STATE UNIV DEPT PHYS MOSCOW 117234 RUSSIA 0065},
\r
6172 abstract = {The order-disorder transition (ODT) and the ordering kinetics have been studied in four-arm star diblock copolymer melts of styrene (corona) and isoprene (core) by rheology and SAXS. The results are compared with the corresponding linear diblock and show that the transition shifts in the direction predicted by theory. The mean-field structure factor is used to describe the SAXS profiles at T much greater than T-ODT and to extract the temperature dependence of the interaction parameter (chi)(T). Because of the weak T dependence of (chi), we can explore only a small region of the phase diagram, namely, 16.5 < N-chi(0) < 14.6, for f(PS) = 0.25. The microphase-separated state consists of spherical microdomains of the minor component(PS) which resembles a bcc phase, however, not with the full symmetry. To explore the morphology over a broader T range, we use the results of computer simulation on equivalent chains, which for f(PS) = 0.25 provide the following succession of phases: hexagonal - a bicontinuous structure which resembles the gyroid - body-centered cubic (bcc) - disordered. The existence of a stable gyroid phase-over a limited composition range-is also predicted by a theory based on a calculation of the higher harmonics. Fluctuation corrected phase diagrams for four-arm star block copolymers are presented here, for the first time. The ordering kinetics have been studied by rheology and show a dramatic slowing of the ordering process as compared to symmetric and asymmetric linear diblocks as a result of the molecular topology and constrained mobility of chains. [References: 56] 56},
\r
6173 keywords = {Order-disorder transition. Chemical-structure. Phase-diagrams. Melts.
\r
6175 Organic chemistry/polymer science.
\r
6176 Reprint available from: Floudas G. FDN RES and TECHNOL HELLAS, INST ELECTR
\r
6177 STRUCT and LASER, POB 1527, GR-71110 IRAKLION.},
\r
6181 author = {Floudas, G. and Placke, P. and Stepanek, P. and Brown, W. and Fytas, G. and Ngai, K. L.},
\r
6182 title = {Dynamics of the Strong Polymer of N-Lauryl Methacrylate Below and above the Glass Transition},
\r
6183 journal = {Macromolecules},
\r
6186 pages = {6799-6807},
\r
6187 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
6188 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECTR STRUCT and LASER POB 1527 GR-71110 IRAKLION GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY ACAD SCI CZECH REPUBL INST MACROMOLEC CHEM CR-16206 PRAGUE CZECH REPUBLIC UNIV UPPSALA DEPT PHYS CHEM S-75121 UPPSALA SWEDEN USN RES LAB WASHINGTON, DC 20375 USA 0015},
\r
6189 abstract = {Dielectric spectroscopy (DS) and dynamic light scattering (DLS) are employed to study the dynamics of poly(n-lauryl methacrylate) (PnLMA) (M(w) 1.1 x 10(5)) at temperatures below and above the glass transition temperature T-g (T-g approximate to 225 K). The DS and DLS data show no evidence for the splitting between the primary (alpha-) and secondary (beta-) relaxations within the experimental frequency range. The main process affecting DS and DLS is the mixed alpha beta-relaxation which bears similarities to a single alpha-process with regard to the T-dependence of the relaxation times. Excellent agreement between the two sets of experimental relaxation times was found. The distribution of relaxation times exhibits a pronounced temperature dependence: from a Kohlrausch-Williams-Watts (KWW) exponent of beta(KWW) approximate to 0.25 at T approximate to T-g to beta(KWW) approximate to 1 at T approximate to T-g + 100 K and at a frequency of about 1 MHz. PnLMA is therefore, to our knowledge, the only polymer with a Debye (beta = 1) distribution of relaxation times at megahertz frequencies so far. The extremely broad distribution near T-g and the weak normalized temperature dependence of the relaxation time apparently contradict the phenomenologically established correlation between the two in many glass formers. This contradiction might arise from concentration fluctuations of the long alkyl chain which can broaden the relaxation spectrum near T-g. In addition to the main beta-process, a ''fast'' beta-relaxation can be resolved in both experiments and originates from the polyethylene-like alkyl chain. [References: 65] 65},
\r
6190 keywords = {Poly(cyclohexyl methacrylate). Relaxation processes.
\r
6191 Neutron-scattering. Dielectric-spectroscopy. Photon-correlation.
\r
6192 Light-scattering. Poly(normal-butyl methacrylate). Intermolecular
\r
6193 cooperativity. Alpha-relaxation. Liquids.
\r
6194 Organic chemistry/polymer science.
\r
6195 Reprint available from: Floudas G. FDN RES and TECHNOL HELLAS, INST ELECTR
\r
6196 STRUCT and LASER, POB 1527, GR-71110 IRAKLION.},
\r
6200 author = {Floudas, G. and Reisinger, T.},
\r
6201 title = {Pressure dependence of the local and global dynamics of polyisoprene},
\r
6202 journal = {Journal of Chemical Physics},
\r
6205 pages = {5201-5204},
\r
6206 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
6207 Reprint available from: Floudas G FORTH, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Crete Greece FORTH, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Max Planck Inst Polymerforsch D-55021 Mainz Germany 0038 J. Chem. Phys},
\r
6208 abstract = {We report on the pressure dependence of the local segmental and normal modes of a type-A polymer (polyisoprene) using dielectric spectroscopy. We find that external pressure exerts a stronger influence on the dynamics of the segmental mode as compared to the longest normal mode which results in the crossing of the two modes at higher pressures. The predictions of the Rouse model are not adequate to explain the different shift factors even at elevated temperatures. (C) 1999 American Institute of Physics. [S0021- 9606(99)50135-9]. [References: 18] 18},
\r
6209 keywords = {Dielectric-spectroscopy. Glass-transition. Temperature.
\r
6210 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
6211 Chemical and Earth Sciences.
\r
6213 Reprint available from: Floudas G. FORTH, Inst Elect Struct and Laser, POB
\r
6214 1527, Heraklion 71110, Crete.},
\r
6218 author = {Floudas, G. and Reiter, G. and Lambert, O. and Dumas, P.},
\r
6219 title = {Structure and Dynamics of Structure Formation in Model Triarm Star Block Copolymers of Polystyrene, Poly(Ethylene Oxide), and Poly(Epsilon-Caprolactone)},
\r
6220 journal = {Macromolecules},
\r
6223 pages = {7279-7290},
\r
6224 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
6225 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS FORTH INST ELECT STRUCT and LASER POB 1527 IRAKLION 71110 CRETE GREECE INST CHIM SURFACES and INTERFACES F-68057 MULHOUSE FRANCE},
\r
6226 abstract = {The structure and dynamics of structure formation have been studied in model triarm star block copolymers composed of two crystallizable blocks (poly(ethylene oxide) (PEO) and poly(epsilon-caprolactone) (PCL)) and one amorphous block (polystyrene(PS)). Crystallization starts from the homogeneous phase. For the structure investigation, X-ray scattering, optical microscopy, and atomic force microscopy have been employed, whereas for the kinetics, we have used differential scanning calorimetry, optical microscopy, and rheology. In the stars, there is a competition for crystallization between the two crystallizable blocks which have similar mobilities and melting temperatures but crystallize in different unit cells (monoclinic vs orthorhombic). When the crystallizable block length ratio is 3 or higher, only the longer block will crystallize. For comparable lengths both blocks can crystallize-however, not within the same molecule-but the crystallinity, long period, and crystalline lamellar thickness are reduced with respect to the pure PEO and PCL. The latent heats, obtained in the isothermal crystallization calorimetric experiments, are analyzed in terms of the Avrami theory. Although similar Avrami exponents were found for all stars (n = 2, reflecting a disklike growth from heterogeneous nuclei), the crystallization times were different depending on the nature of the crystallizable blocks. Optical microscopy revealed the formation of different superstructures (spherulites/axialites) depending on the type of crystallizable block (PEO/PCL). The growth rates of these superstructures were obtained and analyzed in terms of a kinetic nucleation theory, and the fold surface free energies were extracted. Notwithstanding the larger specific surface of bulk PCL as compared to that of PEG, the fold surface free energies in the stars were similar to that in PEG, indicating a pure PEO crystal and mixing of the amorphous blocks with the PCL crystal. This is supported from the results of the atomic force microscopy measurements on thin films, which have indicated the formation of perforated PCL crystals. [References: 32]},
\r
6227 keywords = {X-ray-scattering. Microphase separation. Isothermal crystallization.
\r
6228 Triblock copolymers. Diblock copolymer. Morphology. Kinetics. Graft.
\r
6230 Organic chemistry/polymer science.},
\r
6234 author = {Floudas, G. and Rizos, A. and Brown, W. and Ngai, K. L.},
\r
6235 title = {Dynamics in Concentrated Solutions of Poly(Methyl Methacrylate) Bis(2-Ethylhexyl Phthalate)},
\r
6236 journal = {Macromolecules},
\r
6239 pages = {2719-2725},
\r
6240 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
6241 Reprint available from: Floudas G MAX PLANCK INST POLYMER RES POSTFACH 3148 D-55021 MAINZ GERMANY UNIV CRETE DEPT CHEM GR-71110 IRAKLION GREECE UNIV UPPSALA DEPT PHYS CHEM S-75121 UPPSALA SWEDEN USN RES LAB WASHINGTON, DC 20375 USA 0011},
\r
6242 abstract = {Photon correlation spectroscopy (PCS) and dielectric spectroscopy (DS) are employed to study the dynamics of density fluctuations at temperatures above and below the glass transition temperature, T(g), and the dynamics of concentration fluctuations above T(g) in concentrated solutions of poly(methyl methacrylate)/bis(2-ethylhexyl phthalate) (PMMA/DOP). The PCS measurements covered the temperature range between 252 and 373 K, and the DS measurements were made between 200 and 398 K and in the frequency range between 10(-2) and 10(5) Hz. Above T(g) the polarized PCS correlation functions contain contributions from both density and concentration fluctuations for a range of temperatures. The concentration fluctuations are characterized by a relatively narrow distribution of relaxation times compared to the density fluctuations and display the usual q2-dependence. The dynamics of both processes conform to the Vogel-Fulcher-Tammann equation, and the coupling model of relaxation can explain their different temperature dependences. The alpha-relaxation bifurcates into alpha- and beta-relaxations below T(g) which can be followed respectively by PCS and DS. The additive alters significantly the dynamics of the alpha-relaxation and also has a small effect on the dynamics of the beta-relaxation which become faster. Increasing plasticizer content enhances the dielectric beta-relaxation but weakens the alpha-relaxation. At 20 % plasticizer content a single, albeit broad, dielectric relaxation exists (beta-relaxation) which is due to the concerted motion of the polymer side group with the polar additive. Similarities with the internal plasticization of PMMA are discussed. [References: 37] 37},
\r
6243 keywords = {Concentration fluctuations. Poly(cyclohexyl methacrylate).
\r
6244 Poly(phenylmethyl siloxane). Dielectric-relaxation. Amorphous polymers.
\r
6245 Photon-correlation. Temperature. Glass. Density. Spectroscopy.
\r
6246 Organic chemistry/polymer science.
\r
6247 Reprint available from: Floudas G. MAX PLANCK INST POLYMER RES, POSTFACH
\r
6248 3148, D-55021 MAINZ, GERMANY.},
\r
6252 author = {Floudas, G. and Steffen, W. and Fischer, E. W.},
\r
6253 title = {Solvent and Polymer Dynamics in Concentrated Polystyrene Toluene Solutions},
\r
6254 journal = {Journal of Chemical Physics},
\r
6257 pages = {695-703},
\r
6258 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
6259 Reprint available from: Floudas G MAX PLANCK INST POLYMER RES POSTFACH 3148 W-6500 MAINZ GERMANY UNIV UPPSALA INST PHYS CHEM S-75121 UPPSALA SWEDEN 0075},
\r
6260 abstract = {Depolarized Rayleigh scattering (DRS) and dielectric spectroscopy (DS) are employed to study the solvent and polymer dynamics in the polystyrene (PS)/toluene system and for PS concentration up to 0.6 g/ml. The DRS measurements were made in the temperature range from 255 to 373 K with different interferometers making possible the separation of the ''fast'' solvent (in the ps time scale) from the ''slow'' polymer dynamics (in the ns time scale). The DS measurements were made in the temperature range from 128 to 310 K and two processes could also be observed. With DRS and DS we investigate the very different mobilities in the PS/toluene solutions over a frequency range of approximately 10 decades. The prominent features of the experimental data are (i) the existence of two primary (alpha- ) relaxations in the macroscopically homogeneous solutions which have been analyzed using both techniques and (ii) that these relaxations reflect the polymer and solvent dynamics and display the usual Vogel-Fulcher-Tammann behavior, however, with a broad distribution of relaxation times, especially at low temperatures. The existence of two time scales in the solutions is discussed in terms of concentration heterogeneities composed of PS-rich and toluene-rich domains, large enough to exhibit two glass transitions. As a result of the strong temperature dependence for the fast solvent reorientation times the rate of change of solvent friction with polymer concentration becomes temperature dependent at low temperatures. [References: 49] 49},
\r
6261 keywords = {Restricted rotational diffusion. Depolarized rayleigh-scattering.
\r
6262 Glass-transition. Molecular-motion. Poly(methyl methacrylate).
\r
6263 Orientational relaxation. Optical anisotropy. Aroclor solutions. Probe
\r
6264 diffusion. Chlorobenzene.
\r
6265 Physical chemistry/chemical physics.
\r
6266 Reprint available from: Floudas G. MAX PLANCK INST POLYMER RES, POSTFACH
\r
6267 3148, W-6500 MAINZ, GERMANY.},
\r
6271 author = {Floudas, G. and Steffen, W. and Hadjichristidis, N.},
\r
6272 title = {Order-Disorder Transition in a Poly(Styrene-B-Isoprene) Diblock Copolymer at Hypersonic Frequencies},
\r
6273 journal = {Europhysics Letters},
\r
6277 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
6278 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS FORTH INST ELECT STRUCT and LASER POB 1527 IRAKLION 71110 CRETE GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY UNIV ATHENS DEPT CHEM ATHENS 15771 GREECE},
\r
6279 abstract = {The order-to-disorder transition (ODT) has been studied in a poly(styrene-bisoprene) diblock copolymer with a polystyrene (PS) volume fraction f(PS) of 0.22 at hypersonic frequencies using a tandem Fabry-Perot interferometer. Because of the asymmetric composition we are effectively studying the sound dispersion in a composite material made of hard PS spheres embedded in a soft polyisoprene matrix. All measurements are made in the long-wavelength limit, qD < 1, where q is the scattering wave vector and D is the sphere diameter. The transition temperature (T-ODT) was identified earlier with rheology and SAXS at 112 degrees C. We have investigated the sound velocity and attenuation at temperatures below and above the transition. We find the signature of T-ODT from the broad hypersonic attenuation reflecting the enhanced segmental mobility due to mixing at temperatures near the T-ODT. [References: 12]},
\r
6280 keywords = {Microphase separation. Acoustic excitations. Block-copolymers.
\r
6286 author = {Floudas, G. and Stepanek, P.},
\r
6287 title = {Structure and Dynamics of Poly(N-Decyl Methacrylate) Below and above the Glass Transition},
\r
6288 journal = {Macromolecules},
\r
6291 pages = {6951-6957},
\r
6292 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
6293 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER POB 1527 IRAKLION 71110 CRETE GREECE ACAD SCI CZECH REPUBL INST MACROMOL CHEM PRAGUE 16206 CZECH REPUBLIC},
\r
6294 abstract = {The structure and dynamics of the ''strong'' glass of poly(n-decyl methacrylate) (PnDMA) have been studied, respectively, with X-ray diffraction and dielectric spectroscopy, dynamic light scattering, and rheology at temperatures below and above the glass transition temperature T-g similar to 215 K. We find three dielectrically active processes, starting from low temperatures: (i) the gamma-relaxation deep into the glassy state (with an activation energy of 5.7 kcal/mol), (ii) the ''fast'' beta-relaxation just above the calorimetric T-g, with an activation energy of 11.4 kcal/mol, and (iii) the mixed alpha beta-relaxation which has many similarities to a single alpha-process. Dynamic light scattering also identified the last two processes. The distribution of relaxation times for the alpha beta-relaxation exhibits a strong T dependence ranging from a Kohlraush-Williams-Watts (KWW) parameter of 0.25 at T-g to about 0.7 at T-g + 115 K. This strong T dependence, which is a common feature of poly(n-alkyl methacrylates) with long side chains, reflects the contributions from concentration fluctuations from the PMMA-like backbone and the PE-like side chain. We compare our structural and dynamic results with those from the other members of the poly(n-alkyl methacrylates) series. There is a pronounced dependence of the fragility or steepness index on the length of the alkyl side chain. We found that this dynamic property has its origin on the low van der Waals peak (LVDW) of the static structure factor and reflects mainly differences in intersegmental distances and packing. [References: 38]},
\r
6295 keywords = {Miscible polymer blend. Poly(cyclohexyl methacrylate). Relaxation
\r
6296 processes. Photon-correlation. Poly(normal-butyl methacrylate).
\r
6297 Poly(methyl methacrylate). Dielectric-relaxation. Light-scattering.
\r
6298 Alpha-relaxation. Spectroscopy.
\r
6299 Organic chemistry/polymer science.},
\r
6303 author = {Floudas, G. and Tsitsilianis, C.},
\r
6304 title = {Crystallization Kinetics of Poly(Ethylene Oxide) in Poly(Ethylene Oxide) Polystyrene Poly(Ethylene Oxide) Triblock Copolymers},
\r
6305 journal = {Macromolecules},
\r
6308 pages = {4381-4390},
\r
6309 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
6310 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER FORTH POB 1527 IRAKLION 71110 CRETE GREECE UNIV PATRAS DEPT CHEM ENGN PATRAS 26500 GREECE INST CHEM ENGN and HIGH TEMP CHEM PROC PATRAS 26500 GREECE},
\r
6311 abstract = {The structure and crystallization kinetics of poly(ethylene oxide) (PEG) in the homopolymer and in two triblock copolymers of poly(ethylene oxide)-polystyrene-poly(ethylene oxide) (PEO-PS-PEO). crystallized from the ordered melt, have been studied respectively with X-ray diffraction, optical microscopy and differential scanning calorimetry, theology. A multilayer lamellar structure with a spherulitic superstructure is formed by the crystallizable block, and the amorphous phase is incorporated in the interlamellar PEO regions. The amorphous midblock exerts no influence on the local structure of PEO but has a strong influence on (i) the crystallinity, (ii) the equilibrium melting temperature, and (iii) the thickness of PEO domains. Crystallization proceeds via nucleation and growth and is faster in the triblocks under conditions of equal supercooling. Shear has a pronounced effect on the shape of the crystallization process but little effect on the average times of crystallization. It is shown here that rheology can be used to obtain the equilibrium melting temperature in semicrystalline polymers. [References: 49]},
\r
6312 keywords = {Semicrystalline diblock copolymers. Block-copolymers. Molecular-weight.
\r
6313 Isothermal crystallization. Poly(methyl methacrylate). Phase-diagram.
\r
6314 Morphology. Solvent. Blends. Compatibility.
\r
6315 Organic chemistry/polymer science.},
\r
6319 author = {Floudas, G. and Ulrich, R. and Wiesner, U.},
\r
6320 title = {Microphase separation in poly(isoprene-b-ethylene oxide) diblock copolymer melts. I. Phase state and kinetics of the order-to-order transitions},
\r
6321 journal = {Journal of Chemical Physics},
\r
6324 pages = {652-663},
\r
6325 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
6326 Reprint available from: Floudas G Fdn Res and Technol Hellas, Inst Elect Struct and Laser POB 1527 GR-71110 Iraklion Greece Fdn Res and Technol Hellas, Inst Elect Struct and Laser GR-71110 Iraklion Greece Max Planck Inst Polymerforsch D-55021 Mainz Germany 0078 J. Chem. Phys},
\r
6327 abstract = {The phase state and the kinetics of the order-to-order transitions have been studied in a series of poly(isoprene-b-ethylene oxide) (PI-PEO) diblock copolymers with a PI volume fraction in the range 0.25<f(PI)<0.92, using small angle x-ray scattering (SAXS), and rheology. The mean-field theory (MFT) structure factor is used to describe the SAXS profiles in the disordered phase and to extract the temperature dependence of the interaction parameter chi(T). In general, an agreement is found with the phase diagram proposed by an extended MFT, except at f(PI) = 0.61 where the following sequence of phases was found: L-c-->Hex-->Gyroid-->Dis (L-c is the crystalline lamellar phase, Hex signifies hexagonally packed cylinders, Gyroid is the bicontinuous cubic network with the Ia (3) over bar d symmetry, and Dis is the disordered phase). We found that crystallization disrupts the amorphous ordered morphologies and imposes a layered structure (L-c). The study of the kinetics of the Hex to L-c and the Hex to Gyroid transitions is facilitated by the different viscoelastic contrast and the distinctly different scattering patterns of the three phases involved (L-c, Hex, Gyroid). Our studies show that it is possible to undercool and overheat ordered phases just as we can undercool the disordered phase. The transformation from the Hex to the L-c phase proceeds via a heterogeneous nucleation and growth process and results in the formation of a spherulitic superstructure composed from stacks of lamellar crystals. The transformation of the Hex to the Gyroid phase involves two steps. The first step-which is too fast to be picked up by rheology-involves fluctuations of the hexagonal phase. The second "slow" step involves a nucleation and growth process of elongated objects. The transformation proceeds nearly epitaxially and has an activation energy of 47 kcal/mol which is typical for a collective process. (C) 1999 American Institute of Physics. [S0021-9606(99)52001-1]. [References: 40] 40},
\r
6328 keywords = {Block-copolymers. Poly(ethylene oxide). Disorder transition.
\r
6329 Metastable states. Morphology. Nucleation. Isoprene. Styrene.
\r
6330 Crystallization. Dynamics.
\r
6331 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
6332 Chemical and Earth Sciences.
\r
6334 Reprint available from: Floudas G. Fdn Res and Technol Hellas, Inst Elect
\r
6335 Struct and Laser, POB 1527, GR-71110 Iraklion, Greece.},
\r
6339 author = {Floudas, G. and Ulrich, R. and Wiesner, U. and Chu, B.},
\r
6340 title = {Nucleation and growth in order-to-order transitions of a block copolymer},
\r
6341 journal = {Europhysics Letters},
\r
6344 pages = {182-188},
\r
6345 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
6346 Reprint available from: Floudas G Fdn Res and Technol Hellas, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Crete Greece Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Max Planck Inst Polymerforsch D-55021 Mainz Germany SUNY Stony Brook, Dept Chem Stony Brook, NY 11794 USA 0008 Europhys. Lett},
\r
6347 abstract = {A poly(isoprene-b-ethyleneoxide) diblock undergoes multiple ordered state transitions: from a crystalline lamellar (L-c), to a hexagonal (Hex) mesophase, to a bicontinuous cubic phase (Gyroid) before disordering (Dis). We have studied the kinetics of the Hex-to-Gyroid, Hex-to-L-c and L-c-to-Gyroid transitions using synchrotron SAXS and rheology. The Hex-to-Gyroid transformation proceeds via a nucleation and growth mechanism with a small mismatch between the two phases, as anticipated by recent theoretical predictions (M.W. Matsen, Phys. Rev. Lett., 80 (1998) 4470). We provide the first quantitative measure of the activation barrier involved in an order-to-order transition and show the importance of nucleation and growth in these transformations. [References: 18] 18},
\r
6348 keywords = {Cubic phase. Epitaxial relationships. Disorder transition. Water
\r
6349 systems. Melts. Fluctuations. Surfactant.
\r
6350 Physics in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
6352 Reprint available from: Floudas G. Fdn Res and Technol Hellas, Inst Elect
\r
6353 Struct and Laser, POB 1527, Heraklion 71110, Crete.},
\r
6357 author = {Floudas, G. and Vazaiou, B. and Schipper, F. and Ulrich, R. and Wiesner, U. and Iatrou, H. and Hadjichristidis, N.},
\r
6358 title = {Poly(ethylene oxide-b-isoprene) diblock copolymer phase diagram},
\r
6359 journal = {Macromolecules},
\r
6362 pages = {2947-2957},
\r
6363 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
6364 Reprint available from: Floudas G FORTH, Fdn Res and Technol Hellas, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Crete Greece FORTH, Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Univ Athens, Dept Chem Athens 15771 Greece Max Planck Inst Polymerforsch D-55021 Mainz Germany 0031 Macromolecules},
\r
6365 abstract = {The phase state of 25 poly(ethylene oxide-b-isoprene) (PEO-PI) diblock copolymers spanning the composition range 0.05 < f(PEO) < 0.8 has been studied using small-angle X-ray scattering and theology. In addition, the thermal and thermodynamic properties have been obtained from differential scanning calorimetry and pressure-volume-temperature measurements. Twenty of the diblocks exhibit at least one order-to-order transition, and two show four ordered phases. The phase diagram consists of four equilibrium phases in the melt; lamellar (Lam), hexagonally packed cylinders (Hex), spheres packed in a body centered cubic lattice (bcc) and a bicontinuous cubic phase with the Ia (3) over bard space group symmetry known as the gyroid phase. The latter is formed for the range of compositions 0.4 < f(PEO) < 0.45 which are the highest ever reported for a stable gyroid phase. The high asymmetry in the present phase diagram is attributed to the high conformational asymmetry of the PEO and PI (epsilon = 2.72). At low temperatures, upon PEO crystallization, all phases revert to the crystalline lamellar structure (L-c). Within the composition range 0.66 < f(PEO) < 0.7 another intermediate phase is formed known as perforated layers (PL) which is clearly not an equilibrium phase. The thermal expansion coefficient was found to be a sensitive probe of the ordered microstructures. [References: 45] 45},
\r
6366 keywords = {Order-disorder transition. Microphase separation. Block-copolymer.
\r
6367 Star copolymers. Simple graft. Conformational asymmetry. Behavior.
\r
6368 Melts. Equilibrium. Blends.
\r
6369 Organic Chemistry/Polymer Science in Current Contents(R)/Physical,
\r
6370 Chemical and Earth Sciences.
\r
6375 author = {Floudas, G. and Vlassopoulos, D. and Pitsikalis, M. and Hadjichristidis, N. and Stamm, M.},
\r
6376 title = {Order-Disorder Transition and Ordering Kinetics in Binary Diblock Copolymer Mixtures of Styrene and Isoprene},
\r
6377 journal = {Journal of Chemical Physics},
\r
6380 pages = {2083-2088},
\r
6381 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
6382 Reprint available from: Floudas G FDN RES and TECHNOL HELLAS INST ELECTR STRUCT and LASER POB 1527 GR-71110 IRAKLION CRETE GREECE UNIV ATHENS DEPT CHEM GR-15771 ZOGRAFOS GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY 0036},
\r
6383 abstract = {The order-disorder transition (ODT) and the ordering kinetics have been studied in two symmetric diblock copolymers of styrene and isoprene and their binary mixtures with theology. The binary mixtures formed a single microdomain (with lamellar morphology) composed of short and long chains as confirmed by small angle x-ray scattering (SAXS). The order-disorder transition temperature (T-ODT), obtained from the discontinuity in the storage modulus G', varies linearly with the number average degree of polymerization. For shallow quenches, the ordering kinetics proceed via nucleation and growth. The characteristic time of this process scales with (N) over bar(-1/3), where (N) over bar is the Ginzburg parameter, in agreement with the theoretical predictions [G. H. Fredrickson and K. Binder, J. Chem. Phys. 91, 7265 (1989)]. Our results indicate that the ordering kinetics of symmetric diblock copolymers near the ODT are fluctuation controlled. (C) 1996 American Institute of Physics. [References: 20] 20},
\r
6384 keywords = {Block-copolymers. Microphase separation.
\r
6385 Physical chemistry/chemical physics.
\r
6386 Reprint available from: Floudas G. FDN RES and TECHNOL HELLAS, INST ELECTR
\r
6387 STRUCT and LASER, POB 1527, GR-71110 IRAKLION.},
\r
6391 author = {Floudas, G. and Vogt, S. and Pakula, T. and Fischer, E. W.},
\r
6392 title = {Density and Concentration Fluctuations in Poly(Styrene-B-Phenylmethylsiloxane) Copolymers},
\r
6393 journal = {Macromolecules},
\r
6396 pages = {7210-7213},
\r
6397 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
6398 Reprint available from: Floudas G MAX PLANCK INST POLYMER RES POSTFACH 3148 D-55021 MAINZ GERMANY 0015},
\r
6399 abstract = {Small-angle X-ray scattering (SAXS) is employed to study the density and concentration fluctuations near the microphase separation in poly(styrene-b-phenylmethylsiloxane) copolymers. The former were calculated from the measured isothermal compressibility and are continuous throughout the transition. The residual SAXS background intensity due to local concentration fluctuations is a sensitive probe of the order-disorder transition. The same results have been obtained by independent computer simulations of dense diblock copolymer melts. [References: 18] 18},
\r
6400 keywords = {Microphase separation transition. X-ray-scattering. Diblock copolymers.
\r
6401 Glass-transition. Polymers. Melts.
\r
6402 Organic chemistry/polymer science.
\r
6403 Reprint available from: Floudas G. MAX PLANCK INST POLYMER RES, POSTFACH
\r
6404 3148, D-55021 MAINZ, GERMANY.},
\r
6408 author = {Fodor, J.},
\r
6409 title = {Contrapositive symmetry of fuzzy implications},
\r
6410 journal = {Fuzzy Sets & Systems},
\r
6412 pages = {141--156},
\r
6416 @incollection{Fodor1998_invol,
\r
6417 author = {Fodor, J. and Calvo, T.},
\r
6418 title = {Aggregation functions defined by t-norms and t-conorms},
\r
6419 booktitle = {Aggregation and Fusion of Imperfect Information},
\r
6420 editor = {Bouchon-Meunier, B.},
\r
6421 publisher = {Physica--Verlag},
\r
6422 address = {Heidelberg},
\r
6427 @article{Fodor1998_fss,
\r
6428 author = {Fodor, J. and Jenei, S.},
\r
6429 title = {On continuous triangular norms},
\r
6430 journal = {Fuzzy Sets and Systems},
\r
6432 pages = {273-282},
\r
6436 @article{Fodor-Marichal97,
\r
6437 author = {Fodor, J. and Marichal, J.-L.},
\r
6438 title = {On nonstrict means},
\r
6439 journal = {Aequationes Mathematicae},
\r
6441 pages = {308-327},
\r
6445 @book{Fodor1994_book,
\r
6446 author = {Fodor, J. and Roubens, M.},
\r
6447 title = {Fuzzy Preference Modelling and Multicriteria Decision Support},
\r
6448 publisher = {Kluwer},
\r
6449 address = {Dordrecht},
\r
6453 @article{Fodor2007_FSS,
\r
6454 author = {Fodor, J. and Rudas, I.J.},
\r
6455 title = {On continuous triangular norms that are migrative},
\r
6456 journal = {Fuzzy Sets and Systems},
\r
6458 pages = {1692-1697},
\r
6462 @incollection{Fodor2000_handbook,
\r
6463 author = {Fodor, J. and Yager, R.},
\r
6464 title = {Fuzzy set-theoretic operators and quantifiers},
\r
6465 booktitle = {The Handbook of Fuzzy Sets},
\r
6466 editor = {Dubois, D. and Prade, H.},
\r
6467 publisher = {Kluwer},
\r
6468 address = {Dordrecht},
\r
6470 pages = {125-193},
\r
6474 @article{Fodor1997_ijufks,
\r
6475 author = {Fodor, J. and Yager, R. and Rybalov, A.},
\r
6476 title = {Structure of uninorms},
\r
6477 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
6479 pages = {411-427},
\r
6483 author = {Fogel, D},
\r
6484 title = {Evolutionary Computation: Towards a New Philosophy of Machine Intelligence},
\r
6485 publisher = {IEEE press},
\r
6490 author = {Forti, Mauro},
\r
6491 title = {A note on neural networks with multiple equilibrium points},
\r
6492 journal = {IEEE Transactions on Circuits and Systems-I: Fundamental Theory...},
\r
6495 pages = {p487(5)},
\r
6496 abstract = {We give a condition which is necessary and sufficient for the injectivity (i.e., for the global invertibility) of vector fields defining a class of piece-wise-linear neural networks which include the Cellular Neural Networks as a special case. It is shown that this is the sharpest obtainable condition for injectivity, since it enables one to ascertain such property for each specific nonlinear piece-wise-linear function modeling the neuron activations. This result establishes an exact bound between neural circuits possessing a unique equilibrium point (which are tailor made, e.g., for solving global optimization problems) and those possessing multiple equilibrium points (which are suitable, e.g., for implementing a Content Addressable Memory or a Cellular Neural Network for image processing). We also prove conceptually similar results on injectivity in case of continuously differentiable neuron activations. The proof of the main results exploits topological concepts from degree theory, such as the concept of homotopy of odd vector fields.},
\r
6497 keywords = {Neural networks Research
\r
6498 Equilibrium Analysis},
\r
6502 author = {Foster, Ian},
\r
6503 title = {Designing and building parallel programs: concepts and tools for parallel software engineering},
\r
6504 publisher = {Addison-Wesley},
\r
6505 address = {Reading, Mass.},
\r
6508 Pt. I. Concepts. 1. Parallel Computers and Computation. 2. Designing Parallel Algorithms. 3. A Quantitative Basis for Design. 4. Putting Components Together -- Pt. II. Tools. 5. Compositional C++. 6. Fortran M. 7. High Performance Fortran. 8. Message Passing Interface. 9. Performance Tools -- Pt. III. Resources. 10. Random Numbers. 11. Hypercube Algorithms -- 12. Further Reading -- 13. About the Online Version.
\r
6509 Includes bibliographical references and index.},
\r
6510 abstract = {At last, a practitioner's guide to parallel programming! Students and professionals who use parallel or distributed computer systems will be able to solve real problems with Designing and Building Parallel Programs. This book provides a comprehensive introduction to parallel algorithm design, performance analysis, and program construction. It describes the tools needed to write parallel programs and provides numerous examples. A unique feature is the companion on-line version, accessible via the World Wide Web using browsers such as Mosaic. This provides a convenient hypertext version of the text with pointers to programming tools, example programs, and other resources on parallel and distributed computing.},
\r
6511 keywords = {Parallel programming (Computer science)},
\r
6515 author = {Francis, P.S. and Lewis, S.W. and Lim, K.F.},
\r
6516 title = {Analytical methodology for the determination of urea: Current practice and future trends},
\r
6517 journal = {Trends in Analytical Chemistry},
\r
6520 pages = {389-400},
\r
6521 abstract = {The determination of urea is important in a wide range of fields including clinical diagnostics, environmental monitoring and food science. Numerous analytical techniques have been developed for the determination of urea, with no single technique dominant in all areas due to the diversity of applications. An overview of the existing analytical methodologies for urea is presented, and some new approaches are discussed, particularly those based on chemiluminescence detection to improve the sensitivity and selectivity for the determination this important analyte.},
\r
6522 keywords = {journal
\r
6527 chemiluminescence (CL)
\r
6529 flow injection (FI)
\r
6530 flow injection analysis (FIA)
\r
6538 author = {Francis, P.S. and Lewis, S.W. and Lim, K.F. and Carlsson, K. and Karlberg, B.},
\r
6539 title = {Flow analysis based on a pulsed flow of solution: Theory, instrumentation and applications},
\r
6540 journal = {Talanta},
\r
6543 pages = {1029-1042},
\r
6544 keywords = {analysis
\r
6545 analytical chemistry
\r
6548 flow injection (FI)
\r
6549 flow injection analysis (FIA)
\r
6551 pulsed flow analysis},
\r
6555 author = {Francis, P.S. and Lewis, S.W. and Lim, K.F. and Jenkins, G.E.},
\r
6556 title = {Digital Flow Chemistry: A new solution-handling instrument for the rapid-mixing of small samples in kinetic studies},
\r
6557 booktitle = {Conference on Physical Chemistry},
\r
6558 address = {Christchurch, New Zealand},
\r
6559 abstract = {Digital flow chemistry [1] is a new approach to automated flow based analytical chemistry [2] and chemical kinetics. The digital flow instrument has been developed by our collaborators at Latrobe University and Precision Devices P/L [1]. We have demonstrated that it can be used for the collection of kinetic data [3].
\r
6561 In contrast to the laminar flow and controlled partial dispersion desired in conventional flow tubes and flow analysis, the digital flow module utilises short pressure pulses to generate precisely timed bursts of solution flow, interspersed with longer periods when the solution remains static. This digital flow profile overcomes the problem of flow-rate variation observed with flow systems based on peristaltic pumps, while maintaining high repetition rates and low reagent consumption.
\r
6563 The device also features the ability to dictate the solution ratio in each pulse, by controlling the orifices through which the various solutions flow, enabling a number of possible kinetics and analysis modes by changing software settings.
\r
6565 This presentation reports our studies into the use of digital flow instrumentation to measure kinetic data, and the application of the instrumentation for quantitative analysis of clinical molecules. The small dimensions of this propulsion device (smaller than briefcase size) facilitates the development of portable instrumentation, with adequate simplicity for use by non-laboratory-trained personnel performing on-site analyses. The potential application of this technology to clinical diagnostics, process analysis, environmental monitoring, and the forensic sciences will also be discussed.
\r
6567 [1] In the analytical chemistry community, this has been termed “pulsed flow”, but the methodology is somewhat different from that implied by the terminology in the physical chemistry.
\r
6568 [2] X.D. Wang, T.J. Cardwell, R.W. Cattrall and G.E. Jenkins,
\r
6569 Anal. Commun., 1998, 35, 97.
\r
6570 [3] S.W. Lewis, P.S. Francis, K.F. Lim, G.E. Jenkins and X.D. Wang,
\r
6571 Analyst, 2000, 125, 1869.},
\r
6572 keywords = {Royal Australian Chemical Institute (RACI)
\r
6573 Royal Society of Chemistry (RSC)
\r
6574 New Zealand Institute of Chemistry (NZIC)},
\r
6578 author = {Francis, P.S. and Lim, K.F. and Lewis, S.W.},
\r
6579 title = {The determination of urea with hypobromite: A theme for the discussion of numerous fundamental concepts in chemistry},
\r
6580 journal = {The Chemical Educator},
\r
6583 pages = {419-423},
\r
6584 abstract = {Over the past century, numerous aspects of the reaction between urea and hypobromite have been exploited to quantify urea in clinical and industrial process samples. A review of these analytical approaches provides an interesting illustration of changes in a chemical system that indicate a reaction has occurred—the production of a gas, a color change, the release of heat, and the emission of light—and a variety of instruments that were developed to measure these changes and quantify a reacting species. In this paper we describe how we have used this material in a tutorial class for first-year undergraduate (freshman) students and a follow-up assignment, which we have included in the supporting material. In addition to the concepts exemplified by the above phenomena, we discuss the reaction pathway, which includes examples of ion and atom transfer. These are often overlooked in favor of electron transfer in the teaching of redox chemistry.},
\r
6585 keywords = {chemical education
\r
6586 teaching / learning aids
\r
6587 teaching and learning
\r
6590 laboratory instruction
\r
6593 atomic spectroscopy
\r
6594 quantitative analysis
\r
6596 solution chemistry},
\r
6600 author = {Franti, P. and Kivijarvi, J.},
\r
6601 title = {Randomised Local Search algorithm for the clustering problem},
\r
6602 journal = {Pattern Analysis and Applications},
\r
6605 pages = {358-369},
\r
6606 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
6607 Reprint available from: Franti P Univ Joensuu, Dept Comp Sci Box 111 FIN-80101 Joensuu Finland Univ Joensuu, Dept Comp Sci FIN-80101 Joensuu Finland Univ Turku, Dept Comp Sci, Turku Ctr Comp Sci Turku Finland 0007 Pattern Anal. Appl},
\r
6608 abstract = {We consider clustering as a combinatorial optimisation problem. Local search provides a simple and effective approach to many other combinatorial optimisation problems. It is therefore surprising how seldom it has been applied to the clustering problem. Instead, the best clustering results have been obtained by more complex techniques such as tabu search and genetic algorithms at the cost of high run time. We introduce a new randomised local search algorithm for the clustering problem. The algorithm is easy to implement, sufficiently fast, and competitive with the best clustering methods. The ease of implementation makes it possible to tailor the algorithm for various clustering application with different distance metrics and evaluation criteria. [References: 36] 36},
\r
6609 keywords = {Clustering. Combinatorial optimisation. Compression. Image processing.
\r
6610 Local search. Vector quantisation.
\r
6611 Quantization codebook generation. Vector quantization. Design.
\r
6612 AI, Robotics, and Automatic Control in Current Contents(R)/Engineering,
\r
6613 Computing and Technology.
\r
6618 author = {Frick, A. and Schulz, V. and Huttner, G.},
\r
6619 title = {Interconversion of delta and lambda forms of six-membered chelate cycles a quantitative NMR spectroscopic study of (diphosphane)rhodium compounds},
\r
6620 journal = {European Journal of Inorganic Chemistry},
\r
6623 pages = {3129-3147},
\r
6624 abstract = {The stereochemical flexibility of six-membered chelate cycles containing phosphorus donor groups has not yet been analysed in detail. With a number of compounds of the type [(kappa-PR2CH2CH(OH)CH2-K-PR'(2))Rh(eta(4)-COD)]+PF6- at hand, and since the solid state structures and the catalytic properties of these compounds are known, an ideal opportunity to study this topic was available. After assigning all of the important H-1, C-13, and P-31 NMR spectroscopic resonances by a combination of one- and two-dimensional NMR spectroscopic methods quantitative interpretation of the 2D NOESY/EXSY spectra was achieved for four compounds [PR2 = PMes(2); PR'(2) = PPh2 (1), DBP (2), PEt2 (3), P(o-anisyl)(2) (4)]. It is found that the conformations that these compounds adopt in solution are similar to the ones observed for them in the solid state. The conformational ensemble in solution comprises lambda twist and delta twist forms;) and 6 isomers are clearly differentiated by quantitative NOE-based structure analysis (distance geometry). Since the sense of chirality of the ligand is known, an absolute assignment of these conformations is possible. The equilibrium constants at 298 K for the delta reversible arrow lambda, isomerisation of compounds 1-4 are not very different from one another, with reaction enthalpies ranging from -8 to -2 kJ mol(-1) and the reaction entropies in the range of -10 to 8 J K-1 mol(-1). The activation barriers are again similar for 1-4 and lie at DeltaH(not equal) = 64 kJ mol(-1). It is observed that the mesityl entities at the PMes(2) donor groups behave as coupled rotors with two rotational pathways open to them during the 6 reversible arrow delta interconversion while they are rotationally fixed in the lambda and delta conformations themselves. Comparing the above results with the enantioselective discrimination found for the same compounds in hydrogenation experiments it becomes clear that there is no direct correlation between the preference of one twist form over the other in the precatalyst and its chiral performance.The Euclidean distance matrix (EDM) completion problem and the positive semidefinite (PSD) matrix completion problem are considered in this paper. Approaches to determine the location of a point in a linear manifold are studied, which are based on a referential coordinate set and a distance vector whose components indicate the distances from the point to other points in the set. For a given referential coordinate set and a corresponding distance vector, sufficient and necessary conditions are presented for the existence of such a point that the distance vector can be realized. The location of the point (if it exists) given by the approaches in a linear manifold is independent of the coordinate system, and is only related to the referential coordinate set and the corresponding distance vector. An interesting phenomenon about the complexity of the EDM completion problem is described. Some properties about the uniqueness and the rigidity of the conformation for solutions to the EDM and PSD completion problems are presented.},
\r
6625 keywords = {conformational analysis
\r
6630 catalyzed allylic substitution
\r
6631 magnetic-resonance thermometer
\r
6632 asymmetric hydrogenation
\r
6634 relative configuration
\r
6635 molecular mechanics (MM)
\r
6636 chiral bisphosphine
\r
6644 @article{Frigui2008_TFS,
\r
6645 author = {Frigui, H. and Hwang, C.},
\r
6646 title = {Fuzzy Clustering and Aggregation of Relational Data With Instance-Level Constraints},
\r
6647 journal = {IEEE Trans. on Fuzzy Systems},
\r
6649 pages = {1565-1581},
\r
6653 author = {Frisch, M.J. and Trucks, G.W. and Schlegel, H.B. and Scuseria, G.E. and Robb, M.A. and Cheeseman, J.R. and Montgomery, J.A., Jr and Vreven, T. and Kudin, K.N. and Burant, J.C. and Millam, J.M. and Iyengar, S.S. and Tomasi, J. and Barone, V. and Mennucci, B. and Cossi, M. and Scalmani, G. and Rega, N. and Petersson, G.A. and Nakatsuji, H. and Hada, M. and Ehara, M. and Toyota, K. and Fukuda, R. and Hasegawa, J. and Ishida, M. and Nakajima, T. and Honda, Y. and Kitao, O. and Nakai, H. and Klene, M. and Li, X. and Knox, J.E. and Hratchian, H.P. and Cross, J.B. and Adamo, C. and Jaramillo, J. and Gomperts, R. and Stratmann, R.E. and Yazyev, O. and Austin, A.J. and Cammi, R. and Pomelli, C. and Ochterski, J.W. and Ayala, P.Y. and Morokuma, K. and Voth, G.A. and Salvador, P. and Dannenberg, J.J. and Zakrzewski, V.G. and Dapprich, S. and Daniels, A.D. and Strain, M.C. and Farkas, O. and Malick, D.K. and Rabuck, A.D. and Raghavachari, K. and Foresman, J.B. and Ortiz, J.V. and Cui, Q. and Baboul, A.G. and Clifford, S. and Cioslowski, J. and Stefanov, B.B. and Liu, G. and Liashenko, A. and Piskorz, P. and Komaromi, I. and Martin, R.L. and Fox, D.J. and Keith, T. and Al-Laham, M.A. and Peng, C.Y. and Nanayakkara, A. and Challacombe, M. and Gill, P.M.W. and Johnson, B.G. and Chen, W. and Wong, M.W. and Gonzalez, C. and Pople, J.A.},
\r
6654 title = {Gaussian 03},
\r
6655 publisher = {Gaussian, Inc.},
\r
6656 keywords = {ab initio quantum calculations
\r
6657 density-functional theory
\r
6660 molecular modelling
\r
6661 molecular orbital (MO) theory
\r
6662 molecular structure
\r
6663 nuclear magnetic resonance
\r
6667 self-consistent field
\r
6669 Schrödinger equation},
\r
6673 @article{Fritsch1980,
\r
6674 author = {Fritsch, F. N. and Carlson, R. E.},
\r
6675 title = {Monotone piecewise cubic interpolation},
\r
6676 journal = {SIAM J. Numer. Anal.},
\r
6678 pages = {238-246},
\r
6683 author = {Fukuda, K.},
\r
6684 title = {http://www.cs.mcgill.ca/$\sim$fukuda/soft/cdd$\_$home/cdd.html},
\r
6688 @incollection{Fukuda1996_involume,
\r
6689 author = {Fukuda, K. and Prodon, A.},
\r
6690 title = {Double description method revisited},
\r
6691 booktitle = {Combinatorics and Computer Science},
\r
6692 editor = {Deza, M. and Euler, R. and Manoussakis, I.},
\r
6693 publisher = {Springer-Verlag},
\r
6694 address = {Heidelberg},
\r
6699 @article{Fuller2001_FSS,
\r
6700 author = {Fuller, R. and Majlender, P},
\r
6701 title = {An analytic approach for obtaining maximal entropy OWA operator weights},
\r
6702 journal = {Fuzzy Sets and Systems},
\r
6708 @article{Fuller2003_FSS,
\r
6709 author = {Fuller, R. and Majlender, P.},
\r
6710 title = {On obtaining minimal variability {OWA} operator weights},
\r
6711 journal = {Fuzzy Sets and Systems},
\r
6713 pages = {203-215},
\r
6717 @incollection{Gaffney1976_invol,
\r
6718 author = {Gaffney, P.W. and Powell, M.J.D.},
\r
6719 title = {Optimal interpolation},
\r
6720 booktitle = {Numerical Analysis},
\r
6721 editor = {Watson, G.A.},
\r
6722 series = {Lecture Notes in Mathematics},
\r
6723 publisher = {Springer},
\r
6724 address = {Heidelberg},
\r
6730 @misc{GalarIEEES_2011,
\r
6731 author = {Galar, M. and Barrenechea, E. and Fernandez, J. and Bustince, H. and Beliakov, G.},
\r
6732 title = {Representing Images by Means of Interval-valued Fuzzy Sets. Application to Stereo Matching},
\r
6736 author = {Galar, M. and Barrenechea, E. and Fernandez, J. and Bustince, H. and Beliakov, G.},
\r
6737 title = {Representing images by means of interval-valued fuzzy sets. Application to stereo matching},
\r
6738 booktitle = { IEEE Symposium on Advances in Type-2 Fuzzy Logic Systems},
\r
6739 publisher = {IEEE},
\r
6740 pages = {134-141},
\r
6741 keywords = {estimation theory
\r
6743 image representation
\r
6744 image segmentation
\r
6745 stereo image processing
\r
6746 Pixel correspondence estimation
\r
6747 image interval valued fuzzification process
\r
6748 interval valued fuzzy set
\r
6755 @article{Beliakov2010_NNW,
\r
6756 author = {Galar, M. and Bustince, H. and Fernandez, J. and Sanz, J. and Beliakov, G.},
\r
6757 title = {Fuzzy entropy from weak fuzzy subsethood measures},
\r
6758 journal = {Neural Networks World},
\r
6760 pages = {139-158},
\r
6764 @article{GalarTIP_2011,
\r
6765 author = {Galar, M. and Fernandez, J. and Beliakov, G. and Bustince Sola, H.},
\r
6766 title = {Interval-Valued Fuzzy Sets Applied to Stereo Matching of Color Images},
\r
6767 journal = {IEEE Trans. on Image Processing},
\r
6769 pages = {1949-1961},
\r
6773 @article{Galperin2002_CMA,
\r
6774 author = {Galperin, E.A. and Kansa, E.J.},
\r
6775 title = {Application of global optimization and radial basis functions to numerical solutions of weakly singular Volterra integral equations},
\r
6776 journal = {Computers Math. Applic.},
\r
6778 pages = {491-499},
\r
6782 @article{Galperin1993_CMA,
\r
6783 author = {Galperin, E.A. and Zheng, Q.},
\r
6784 title = {Solution and control of the PDE via global optimization methods},
\r
6785 journal = {Computers Math. Applic.},
\r
6787 pages = {103-118},
\r
6791 @inproceedings{Beliakov2004_ICOTA1,
\r
6792 author = {Garc\'ia Barriocanal, E. and Beliakov, G. and Calvo, T. and Sicilia, M.A.},
\r
6793 title = {Choquet Integral-Based Aggregation of Interface Usability Parameters: of Fuzzy Measure},
\r
6794 booktitle = {6th Int. Conf. on Optimization Techniques and Applications},
\r
6795 address = {Ballarat, Australia},
\r
6800 @inproceedings{Garcia2008_conf,
\r
6801 author = {Garcia, V. and Debreuve, E. and Barlaud, M.},
\r
6802 title = {Fast k nearest neighbor search using GPU},
\r
6803 booktitle = {Computer Vision and Pattern Recognition Workshops, 2008. CVPRW '08. IEEE Computer Society Conference on},
\r
6805 keywords = {computer graphics
\r
6808 statistical analysis
\r
6809 video signal processing
\r
6811 Kullback-Leibler divergence
\r
6813 approximated nearest neighbor library
\r
6814 brute force algorithm
\r
6815 efficient variable-bandwidth kernel-based estimators
\r
6816 fast k nearest neighbor search
\r
6817 graphics processing units
\r
6819 information theory
\r
6820 quasi-linear behavior
\r
6821 statistical measures
\r
6822 video object tracking
\r
6823 video processing},
\r
6827 @misc{Lapresta2009_EUSFLAT,
\r
6828 author = {Garcia-Lapresta, J.-L. and Llamazares, B. and Pe\~na, T.},
\r
6829 title = {Determining {OWA} Weights by Maximizing Consensus},
\r
6830 publisher = {EUSFLAT},
\r
6831 volume = {1527-1530},
\r
6835 @article{Lapresta_FODM,
\r
6836 author = {Garcia-Lapresta, J.-L. and Martínez-Panero, M.},
\r
6837 title = {Linguistic-based voting through centered {OWA} operators},
\r
6838 journal = {Fuzzy Optimization and Decision Making},
\r
6840 pages = {381-393},
\r
6844 @article{Gath1997_PRL,
\r
6845 author = {Gath, I. and Smolyak Iskoz, A. and van Cutsem, B.},
\r
6846 title = {Data induced metric and fuzzy clustering of non-convex patterns of arbitrary shape},
\r
6847 journal = {Pattern Recognition Letters},
\r
6849 pages = {541-553},
\r
6853 author = {Gaviano, M. and Kvasov, D. and Lera, D. and Sergeyev, Y.},
\r
6854 title = {Algorithm 829: Software for generation of classes of test functions with known local and global minima for global optimization },
\r
6855 journal = {ACM Transactions on Mathematical Software},
\r
6857 pages = {469 - 480},
\r
6861 author = {Gaviano, R. and Lera, D.},
\r
6862 title = {Test Functions with Variable Attraction Regions for Global Optimization Problems},
\r
6863 journal = {Journal of Global Optimization},
\r
6866 pages = {207-223},
\r
6867 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
6868 Reprint available from: Gaviano R UNIV CAGLIARI DEPT MATH CAGLIARI ITALY},
\r
6869 abstract = {Functions with local minima and size of their 'region of attraction' known a priori, are often needed for testing the performance of algorithms that solve global optimization problems. In this paper we investigate a technique for constructing test functions for global optimization problems for which we fix a priori: (i) the problem dimension, (ii) the number of local minima, (iii) the local minima points, (iv) the function values of the local minima. Further, the size of the region of attraction of each local minimum may be made large or small. The technique consists of first constructing a convex quadratic function and then systematically distorting selected parts of this function so as to introduce local minima. [References: 13]},
\r
6870 keywords = {Global optimization. Test problems.
\r
6871 Construction. Programs.
\r
6872 Engineering mathematics.},
\r
6876 @book{Gentle2003_book,
\r
6877 author = {Gentle, J.E.},
\r
6878 title = {Random number generation and Monte Carlo methods},
\r
6879 publisher = {Springer},
\r
6880 address = {New York},
\r
6884 author = {Gerardi, R.D. and Barnett, N.W. and Lewis, S.W.},
\r
6885 title = {Analytical applications of tris(2,2'-bipyridyl)ruthenium(III) as a chemiluminescent reagent},
\r
6886 journal = {Anal. Chim. Acta},
\r
6890 keywords = {journal
\r
6892 tris(2,2'-bipyridyl)ruthenium(III); Ru(bipy)32+
\r
6893 chemiluminescence (CL)
\r
6894 analytical chemistry},
\r
6898 author = {Gerothanasis, I.P. and Troganis, A. and Exarchou, V. and Barbarossou, K.},
\r
6899 title = {Nuclear magnetic resonance (NMR) spectroscopy: Basic principles and phenomena, and their applications to chemistry, biology and medicine},
\r
6900 journal = {Chemistry Education: Research and Practice in Europe},
\r
6903 pages = {229-252},
\r
6904 abstract = {Nuclear Magnetic Resonance (NMR) spectroscopy has made a tremendous impact in many areas of chemistry, biology and medicine. In this report a student-oriented approach is presented, which enhances the ability of students to comprehend the basic concepts of NMR spectroscopy and the NMR spectra of various nuclei. The origin of chemical shifts, coupling constants, spin relaxation and the Nuclear Overhauser Effect (NOE) will be discussed and their relation to molecular structure will be provided. A wide range of applications of NMR spectroscopy is presented, including exchange phenomena, the identification and structural studies of complex biomolecules, such as proteins, applications to food analysis, clinical studies, NMR as a microscope and magnetic tomography.},
\r
6905 keywords = {journal
\r
6906 chemical education
\r
6908 World-Wide Web (WWW)
\r
6909 nuclear magnetic resonance (NMR)
\r
6910 nuclear Overhauser effect (NOE)},
\r
6914 @article{Wright2003_ACM,
\r
6915 author = {Gertz, E.M. and Wright, S.J.},
\r
6916 title = {Object-Oriented Software for Quadratic Programming},
\r
6917 journal = {ACM Trans. Math. Software},
\r
6923 @article{Gertz2003_ACM,
\r
6924 author = {Gertz, E. M. and Wright, S. J.},
\r
6925 title = {Object-Oriented Software for Quadratic Programming},
\r
6926 journal = {ACM Trans. Math. Software},
\r
6932 @article{Gervini2003,
\r
6933 author = {Gervini, D.},
\r
6934 title = {A robust and efficient adaptive reweighted estimator of multivariate location and scatter},
\r
6935 journal = {Journal of Multivariate Analysis},
\r
6938 pages = {116-144},
\r
6939 abstract = {This article proposes a reweighted estimator of multivariate location and scatter, with
\r
6940 weights adaptively computed from the data. Its breakdown point and asymptotic behavior
\r
6941 under elliptical distributions are established. This adaptive estimator is able to attain
\r
6942 simultaneously the maximum possible breakdown point for affine equivariant estimators
\r
6943 and full asymptotic efficiency at the multivariate normal distribution. For the special
\r
6944 case of hard-rejection weights and the MCD as initial estimator, it is shown to be more
\r
6945 efficient than its non-adaptive counterpart for a broad range of heavy-tailed elliptical
\r
6946 distributions. A Monte Carlo study shows that the adaptive estimator is as robust as
\r
6947 its non-adaptive relative for several types of bias-inducing contaminations, while it is
\r
6948 remarkably more efficient under normality for sample sizes as small as 200.},
\r
6952 @article{Gervini2003,
\r
6953 author = {Gervini, D},
\r
6954 title = {A robust and efficient adaptive reweighted estimator of multivariate location and scatter},
\r
6955 journal = {Journal of Multivariate Analysis},
\r
6958 pages = {116 - 144 },
\r
6959 abstract = {This article proposes a reweighted estimator of multivariate location and scatter, with weights adaptively computed from the data. Its breakdown point and asymptotic behavior under elliptical distributions are established. This adaptive estimator is able to attain simultaneously the maximum possible breakdown point for affine equivariant estimators and full asymptotic efficiency at the multivariate normal distribution. For the special case of hard-rejection weights and the MCD as initial estimator, it is shown to be more efficient than its non-adaptive counterpart for a broad range of heavy-tailed elliptical distributions. A Monte Carlo study shows that the adaptive estimator is as robust as its non-adaptive relative for several types of bias-inducing contaminations, while it is remarkably more efficient under normality for sample sizes as small as 200.},
\r
6963 author = {Gervini, Daniel},
\r
6964 title = {A robust and efficient adaptive reweighted estimator of multivariate location and scatter},
\r
6965 journal = {J. Multivar. Anal.},
\r
6968 pages = {116-144},
\r
6972 @article{Gervini2005,
\r
6973 author = {Gervini, D.},
\r
6974 title = {Robust adaptive estimators for binary regression models},
\r
6975 journal = {Journal of Statistical Planning and Inference},
\r
6978 pages = {297-311},
\r
6979 abstract = {This article introduces adaptive weighted maximum likelihood estimators for binary regression models. The asymptotic distribution under the model is established, and asymptotic confidence intervals are derived. Finite-sample properties are studied by simulation. For clean datasets, the proposed adaptive estimators are more efficient than the non-adaptive ones even for moderate sample sizes, and for outlier-contaminated datasets they show a comparable robustness. As for the asymptotic confidence intervals, the actual coverage levels under the model are very close to the nominal levels (even for moderate sample sizes), and they are reasonably stable under contamination.},
\r
6983 @article{Gervini2008_AS,
\r
6984 author = {Gervini, D. and Yohai, V.J.},
\r
6985 title = {Aclass of robust and fully efficient regression estimators},
\r
6986 journal = {Ann. Statist.},
\r
6988 pages = {583–616},
\r
6992 @article{Gervini2002,
\r
6993 author = {Gervini, D. and Yohai, V.J.},
\r
6994 title = {A class of robust and fully efficient regression estimators},
\r
6995 journal = {The Annals of Statistics},
\r
6998 pages = {583–616},
\r
6999 abstract = {This paper introduces a new class of robust estimators for the linear
\r
7000 regression model. They are weighted least squares estimators, with weights
\r
7001 adaptively computed using the empirical distribution of the residuals of an
\r
7002 initial robust estimator. It is shown that under certain general conditions
\r
7003 the asymptotic breakdown points of the proposed estimators are not less
\r
7004 than that of the initial estimator, and the finite sample breakdown point
\r
7005 can be at most 1/n less. For the especial case of the least median of
\r
7006 squares as initial estimator, hard rejection weights and normal errors
\r
7007 and carriers, the maximum bias function of the proposed estimators for
\r
7008 point-mass contaminations is numerically computed, with the result that
\r
7009 there is almost no worsening of bias. Moreover –and this is the original
\r
7010 contribution of this paper– if the errors are normally distributed and under
\r
7011 fairly general conditions on the design the proposed estimators have full
\r
7012 asymptotic efficiency. A Monte Carlo study shows that they have a better
\r
7013 behavior than the initial estimators for finite sample sizes.},
\r
7017 @article{Gervini2002,
\r
7018 author = {Gervini, D. and Yohai, V.J.},
\r
7019 title = {A class of robust and fully efficient regression estimators},
\r
7020 journal = {Ann. Statist.},
\r
7023 pages = {583-616},
\r
7024 abstract = {MR1902900 (2003d:62154) Only summary in English??
\r
7025 Summary: ``This paper introduces a new class of robust estimators for the linear regression model. They are weighted least squares estimators, with weights adaptively computed using the empirical distribution of the residuals of an initial robust estimator. It is shown that under certain general conditions the asymptotic breakdown points of the proposed estimators are not less than that of the initial estimator, and the finite sample breakdown point can be at most $1/n$ less. For the special case of the least median of squares as an initial estimator, hard rejection weights and normal errors and carriers, the maximum bias function of the proposed estimators for point-mass contaminations is numerically computed, with the result that there is almost no worsening of bias. Moreover---and this is the original contribution of this paper---if the errors are normally distributed and under fairly general conditions on the design the proposed estimators have full asymptotic efficiency. A Monte Carlo study shows that they have better behavior than the initial estimators for finite sample sizes.''},
\r
7029 author = {Gibas, C. and Jambeck, P.},
\r
7030 title = {Developing Bioinformatics Computer Skills},
\r
7031 publisher = {O'Reilly and Associates},
\r
7032 address = {Sebastopol (CA)},
\r
7033 keywords = {bioinformatics
\r
7036 undergraduate text},
\r
7040 author = {Gilbert, R.G. and Smith, S.C.},
\r
7041 title = {Theory of Unimolecular and Recombination Reactions},
\r
7042 publisher = {Blackwells Scientific},
\r
7043 address = {Oxford},
\r
7044 series = {Physical Chemistry Texts},
\r
7045 keywords = {kinetics
\r
7047 variational transition state theory; TST; VTST
\r
7048 collisional energy transfer
\r
7054 @article{Gilks1995_appstat,
\r
7055 author = {Gilks, W. and Best, N.G. and Tan, K.K.C.},
\r
7056 title = {Adaptive rejection Metropolis sampling},
\r
7057 journal = {Appl. Stat.},
\r
7059 pages = {455-472},
\r
7063 @article{Gilonia2006,
\r
7064 author = {Gilonia, A. and Simonoff, J.S. and Sengupta, B.},
\r
7065 title = {Robust weighted LAD regression},
\r
7066 journal = {Computational Statistics & Data Analysis},
\r
7068 pages = {3124 - 3140},
\r
7069 abstract = {The least squares linear regression estimator is well-known to be highly sensitive to unusual observations
\r
7070 in the data, and as a result many more robust estimators have been proposed as alternatives.
\r
7071 One of the earliest proposals was least-sum of absolute deviations (LAD) regression, where the regression
\r
7072 coefficients are estimated through minimization of the sum of the absolute values of the
\r
7073 residuals. LAD regression has been largely ignored as a robust alternative to least squares, since it
\r
7074 can be strongly affected by a single observation (that is, it has a breakdown point of 1/n, where n
\r
7075 is the sample size). In this paper we show that judicious choice of weights can result in a weighted
\r
7076 LAD estimator with much higher breakdown point. We discuss the properties of the weighted LAD
\r
7077 estimator, and show via simulation that its performance is competitive with that of high breakdown
\r
7078 regression estimators, particularly in the presence of outliers located at leverage points.We also apply
\r
7079 the estimator to several data sets.
\r
7084 author = {Ginalski, K. and Grishin, N. and Godzik, A. and Rychlewski, L.},
\r
7085 title = {Practical lessons from protein structure prediction },
\r
7086 journal = {Nucleic Acids Research},
\r
7088 pages = {1874-1891},
\r
7092 @book{Gini1958_book,
\r
7093 author = {Gini, C. et al},
\r
7094 title = {Le Medie},
\r
7095 publisher = {Unione Tipografico-Editorial Torinese},
\r
7096 address = {Milan},
\r
7097 edition = {(Russian translation, Srednie Velichiny, Statistica, Moscow, 1970)},
\r
7101 author = {Giorgi, G. and Guerraggio, A. and Thierfelder, J.},
\r
7102 title = {Mathematics Of Optimization: Smooth And Nonsmooth Case},
\r
7103 publisher = {Elsevier},
\r
7104 address = {Amsterdam},
\r
7108 author = {Glover, B. M. and Jeyakumar, V. and Rubinov, A. M.},
\r
7109 title = {Dual conditions characterizing optimality for convex multi-objective programs},
\r
7110 journal = {Mathematical Programming},
\r
7113 pages = {201-217},
\r
7114 abstract = {Asymptotic necessary and sufficient conditions for a point to be a Pareto minimum, and weak minimum (proper minimum) for a convex multi-objective program are given without a regularity condition. It is further shown that, in the cases of weak minimum and single objective function, the asymptotic dual conditions reduce to nonasymptotic optimality conditions under Slater's constraint qualification. The results are applied to multi-objective quadratic and linar programming problems. Numerical examples are given to illustrate the nature of the conditions. [References: 23] 23},
\r
7115 keywords = {Pareto minimum. Convex programming. Epsilon-subdifferentials.
\r
7116 Multi-objective optimization.
\r
7117 Global optimization. Farkas lemma. Systems.
\r
7118 Mathematics in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
7120 Reprint available from: Glover BM. Curtin Univ Technol, Res and Dev,
\r
7121 Bentley, WA 6102, Australia.},
\r
7125 author = {Glover, B. M. and Rubinov, A. M. and Craven, B. D.},
\r
7126 title = {Solvability Theorems Involving Inf-Convex Functions},
\r
7127 journal = {Journal of Mathematical Analysis and Applications},
\r
7130 pages = {305-330},
\r
7131 abstract = {This paper presents a unified theory on solvability of certain general systems of inequalities involving functions expressible as the pointwise infimum of convex functions. The approach used to develop these solvability theorems relies on Minkowski duality. Extensions of Farkas' lemma and other solvability theorems are developed, both with and without a regularity condition, with applications to optimization. (C) 1995 Academic Press, Inc. [References: 27] 27},
\r
7132 keywords = {Inequality systems. Farkas lemma. Minimax.
\r
7134 Reprint available from: Glover BM. UNIV BALLARAT, SCH INFORMAT TECHNOL and
\r
7135 MATH SCI, BALLARAT, VIC 3353.},
\r
7139 author = {Glunt, W. and Hayden, T.L. and Raydan, M.},
\r
7140 title = {Molecular conformations from distance matrices},
\r
7141 journal = {Journal of Computational Chemistry},
\r
7144 pages = {114-120},
\r
7145 abstract = {Two algorithms are introduced that show exceptional promise in finding molecular conformations using distance geometry on nuclear magnetic resonance data. The first algorithm is a gradient version of the majorization algorithm from multidimensional scaling. The second algorithm is an iterative algorithm between possible configurations obtained from the first algorithm and perissible data points near the configuration.},
\r
7146 keywords = {distance geometry
\r
7147 molecular modelling
\r
7154 @inproceedings{godo-sierra-88,
\r
7155 author = {Godo, L. and Sierra, C.},
\r
7156 title = {A new approach to connective generation in the framework of expert systems using fuzzy logic},
\r
7157 booktitle = {18th International Symposium on Multiple-Valued Logic},
\r
7158 address = {Palma de Mallorca},
\r
7159 publisher = {IEEE Computer Society Press},
\r
7160 pages = {157-162},
\r
7164 author = {Goertzel, B.},
\r
7165 title = {Global optimization with space-filling curves},
\r
7166 journal = {Applied Mathematics Letters},
\r
7169 pages = {133-135},
\r
7170 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
7171 Reprint available from: Goertzel B Intelligenesis Corp 50 Broadway New York, NY 10004 USA Intelligenesis Corp New York, NY 10004 USA 0022 Appl. Math. Lett},
\r
7172 abstract = {It is shown that, contrary to a claim of Torn and Zilinskas, it is possible to efficiently optimize functions on n dimensions by projecting them into a single dimension using a space-filling curve. (C) 1999 Elsevier Science Ltd. All rights reserved. [References: 6] 6},
\r
7173 keywords = {Mathematics in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
7175 Reprint available from: Goertzel B. Intelligenesis Corp, 50 Broadway, New
\r
7176 York, NY 10004, USA.},
\r
7180 author = {Goldberg, David E.},
\r
7181 title = {Genetic algorithms in search, optimization, and machine learning},
\r
7182 publisher = {Addison-Wesley Pub. Co.},
\r
7183 address = {Reading, Mass.},
\r
7185 David E. Goldberg.
\r
7187 Bibliography: p. [381]-401.},
\r
7188 keywords = {Combinatorial optimization.
\r
7190 Machine learning.},
\r
7194 @incollection{Golomb1959_inbook,
\r
7195 author = {Golomb, M. and Weinberger, H.F.},
\r
7196 title = {Optimal approximation and error bounds},
\r
7197 booktitle = {On Numerical Approximation},
\r
7198 editor = {Langer, R. E.},
\r
7199 publisher = {The Univ. of Wisconsin Press,},
\r
7200 address = {Madison},
\r
7201 pages = {117-190},
\r
7205 author = {Goodman, J.M.},
\r
7206 title = {What is the longest unbranched alkane with a linear global minimum conformation},
\r
7207 journal = {Journal of Chemical Information and Computer Sciences},
\r
7210 pages = {876-878},
\r
7211 abstract = {Shea unbranched alkanes, such as heptane and hexane, prefer extended conformations. Polythene chains prefer folded conformations. How long a chain earn be built before the global minimum conformation ceases to be linear? The question is a difficult one, because exhaustive conformation searches on molecules of the size where the transition is likely to occur are very time consuming. This study demonstrates that the answer is not more than 17 for the MM2* force field and that the question provides a sensitive measure of comparison between force fields, solvent models, and semiempirical methods.},
\r
7212 keywords = {American Chemical Society (ACS)
\r
7213 molecular mechanics (MM)
\r
7214 molecular modelling
\r
7217 molecular mechanics
\r
7218 semiempirical methods
\r
7225 author = {Goodman, J.M.},
\r
7226 title = {Chemical Applications of Molecular Modelling},
\r
7227 publisher = {Royal Society of Chemistry},
\r
7228 address = {Cambridge (UK)},
\r
7230 Introduction; Force Fields; Minimization; Conformation Searching; Molecular Dynamics; Molecular Orbital Theory; Examples; Databases; Examples; Applications; Glossary; Appendix; References and Further Reading; Subject Index},
\r
7231 abstract = {As computers become an important part of everyday life, molecular modelling is affecting all parts of chemistry, and is particularly useful in organic chemistry. But how does it work? How reliable is it? What are its limitations? Is it useful for normal chemists? In answering these questions, this book demystifies molecular modelling, enabling the non-specialist to appreciate the power, but also the limitations, of the computational tools available.
\r
7232 Chemical Applications of Molecular Modelling provides a background to the methods used and describes how they have developed. It also shows how molecular modelling has been used to address chemical questions commonly asked by the experimental chemist, and includes many examples and case studies. It will be suitable as an undergraduate coursebook - putting normal chemistry course work into perspective with respect to modelling methods - as well as providing a useful reference for researchers.
\r
7233 A discussion area and enhanced images from the book are available at:
\r
7234 <http://www.chemsoc.org/chembytes/publications/goodman/goodman.htm>},
\r
7236 Cutter Bequest project
\r
7237 chemical education
\r
7238 undergraduate education
\r
7239 undergraduate textbook
\r
7240 molecular modelling
\r
7241 molecular mechanics (MM)
\r
7242 molecular orbital (MO) theory
\r
7245 computers in chemistry
\r
7247 computational chemistry},
\r
7251 @incollection{Goodman1989,
\r
7252 author = {Goodman, T.N.T.},
\r
7253 title = {Shape preserving representations},
\r
7254 booktitle = {Mathematical methods in computer aided geometric design},
\r
7255 editor = {Lyche, T. and Schumaker, L.L.},
\r
7256 publisher = {Academic press},
\r
7257 address = {New York},
\r
7258 pages = {333-351},
\r
7262 @article{Grabisch1996_EJOR,
\r
7263 author = {Grabisch, M.},
\r
7264 title = {The applications of fuzzy integrals in multicriteria decision making},
\r
7265 journal = {Europ. J. Operations Research},
\r
7267 pages = {445-456},
\r
7271 author = {Grabisch, M.},
\r
7272 title = {$k$--order additive fuzzy measures},
\r
7273 booktitle = {IPMU},
\r
7274 address = {Granada},
\r
7275 pages = {1345-1350},
\r
7279 @article{Grabisch1997_fss,
\r
7280 author = {Grabisch, M.},
\r
7281 title = {k-order additive discrete fuzzy measures and their representation},
\r
7282 journal = {Fuzzy Sets and Systems},
\r
7284 pages = {167-189},
\r
7288 @article{grabishk-possmesaure,
\r
7289 author = {Grabisch, M.},
\r
7290 title = {On the representation of discrete measures for decision making},
\r
7291 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
7293 pages = {587-607},
\r
7297 @incollection{Grabisch2000_inbook,
\r
7298 author = {Grabisch, M.},
\r
7299 title = {The interaction and Mobius representation of fuzzy measures on finite spaces, k-additive measures: a survey},
\r
7300 booktitle = {Fuzzy Measures and Integrals.Theory and Applications},
\r
7301 editor = {Grabisch, M. and Murofushi, T. and Sugeno, M.},
\r
7302 publisher = {Physica-Verlag},
\r
7303 address = {Heidelberg},
\r
7308 @inproceedings{Grabisch2004_IPMU,
\r
7309 author = {Grabisch, M.},
\r
7310 title = {The Choquet integral as a linear interpolator},
\r
7311 booktitle = {10th Int. Conf. on Information Processing and Management of Uncertainty },
\r
7312 address = {Perugia, Italy},
\r
7313 pages = {373-378},
\r
7317 @article{Grabisch2007_EJOR,
\r
7318 author = {Grabisch, M. and Kojadinovic, I. and Meyer, P.},
\r
7319 title = {A review of methods for capacity identification in {C}hoquet integral based multi-attribute utility theory},
\r
7320 journal = {Europ. J. Operations Research},
\r
7322 pages = {766-785},
\r
7326 @incollection{Grabisch-Labreuche-00,
\r
7327 author = {Grabisch, M. and Labreuche, C. },
\r
7328 title = {To be symmetric or asymmetric? A dilemma in decision making},
\r
7329 booktitle = {Preferences and Decisions under Incomplete Knowledge},
\r
7330 editor = {Fodor, J. and De Baets, B. and Perny, P.},
\r
7331 publisher = {Physica--Verlag},
\r
7332 address = {Heidelberg},
\r
7336 @article{Grabisch2005_FSS,
\r
7337 author = {Grabisch, M. and Labreuche, C.},
\r
7338 title = {Bi-capacities --- {P}art {I}: definition, {M}\"obius transform and interaction},
\r
7339 journal = {Fuzzy Sets and Systems},
\r
7341 pages = {211-236},
\r
7345 @article{Grabisch2005_FSS2,
\r
7346 author = {Grabisch, M. and Labreuche, C.},
\r
7347 title = {Bi-capacities --- {P}art {II}: the {C}hoquet integral},
\r
7348 journal = {Fuzzy Sets and Systems},
\r
7350 pages = {237-259},
\r
7354 @article{Grabisch2008_4OR,
\r
7355 author = {Grabisch, M. and Labreuche, C.},
\r
7356 title = {A decade of application of the {C}hoquet and {S}ugeno integrals in multi-criteria decision aid},
\r
7357 journal = {4OR: A Quarterly Journal of Operations Research},
\r
7363 @book{Grabisch2007_book,
\r
7364 author = {Grabisch, M. and Marichal, J.-L. and Mesiar, R. and Pap, E.},
\r
7365 title = {Aggregation Functions},
\r
7366 publisher = {Cambridge University Press},
\r
7367 address = {Cambridge},
\r
7371 @article{Grabisch2000_MOR,
\r
7372 author = {Grabisch, M. and Marichal, J.-L. and Roubens, M.},
\r
7373 title = {Equivalent representations of set functions},
\r
7374 journal = {Mathematics of Oper. Res.},
\r
7376 pages = {157-178},
\r
7380 @book{Grabisch1995_book,
\r
7381 author = {Grabisch, M. and Nguyen, H.T. and Walker, E.A.},
\r
7382 title = {Fundamentals of Uncertainty Calculi, with Applications to Fuzzy Inference},
\r
7383 publisher = {Kluwer},
\r
7384 address = {Dordrecht},
\r
7388 @inproceedings{Grabisch-96,
\r
7389 author = {Grabisch, M. and Roubens, M.},
\r
7390 title = {Equivalent representations of a set function with application to decision making},
\r
7391 booktitle = {6th IEEE Int. Conf. on Fuzzy Systems},
\r
7395 author = {Grant, G. and Moore, E.A.},
\r
7396 title = {Case study: Molecular modelling in rational drug design},
\r
7397 booktitle = {Molecular Modelling and Bonding},
\r
7398 editor = {Moore, E.A.},
\r
7399 series = {The Molecular World},
\r
7400 publisher = {Royal Society of Chemistry},
\r
7401 address = {Cambridge (UK)},
\r
7403 keywords = {chemical education
\r
7404 undergraduate education
\r
7405 undergraduate textbook
\r
7406 molecular modelling
\r
7407 molecular mechanics (MM)
\r
7408 molecular orbital (MO) theory
\r
7411 quantitative structure-activity relationship (QSAR)},
\r
7415 author = {Grant, J.A and Pickup, B.T.},
\r
7416 title = {A fast method of molecular shape comparison: A simple application of Gaussian description of molecular shape},
\r
7417 journal = {Journal of Computational Chemistry},
\r
7420 pages = {1653-1666},
\r
7421 abstract = {overlapping atom-centred Gaussians replace more conventional intersecting hard spheres},
\r
7422 keywords = {molecular properties / structure
\r
7424 molecular modelling
\r
7425 molecular structure},
\r
7429 author = {Grefenstette, John J.},
\r
7430 title = {Genetic algorithms for machine learning},
\r
7431 publisher = {Kluwer Academic Publishers},
\r
7432 address = {Boston},
\r
7434 edited by John J. Grefenstette.
\r
7435 "A Special issue of Machine learning."
\r
7436 "Reprinted from Machine learning, vol. 13, nos. 2-3 (1993)."
\r
7437 Includes bibliographical references and index.
\r
7438 Machine learning.},
\r
7439 keywords = {Machine learning.
\r
7440 Genetic algorithms.},
\r
7444 @article{Gregory1982,
\r
7445 author = {Gregory, J. A. and Delbourgo, R.},
\r
7446 title = {Piecewise rational quadratic interpolation to monotonic data},
\r
7447 journal = {IMA Journal of Numerical Analysis},
\r
7449 pages = {123-130},
\r
7453 author = {Greiner, H.},
\r
7454 title = {A survey on univariate data interpolation and approximation by splines of given shape},
\r
7455 journal = {Math. Comp. Modelling},
\r
7461 author = {Groenen, P. J. F. and Heiser, W. J. and Meulman, J. J.},
\r
7462 title = {Global optimization in least-squares multidimensional scaling by distance smoothing},
\r
7463 journal = {Journal of Classification},
\r
7466 pages = {225-254},
\r
7467 note = {Current Contents(R)/Social and Behavioral Sciences.
\r
7468 Reprint available from: Groenen PJF Leiden Univ, Data Theory Grp, Dept Educ POB 9555 NL-2300 RB Leiden Netherlands Leiden Univ, Data Theory Grp, Dept Educ NL-2300 RB Leiden Netherlands Leiden Univ, Dept Psychol NL-2300 RB Leiden Netherlands 0004 J. Classif},
\r
7469 abstract = {Least-squares multidimensional scaling is known to have a serious problem of local minima, especially if one dimension is chosen, or if city-block distances are involved. One particular strategy, the smoothing strategy proposed by Pliner (1986, 1996), turns out to be quite successful in these cases. Here, we propose a slightly different approach, called distance smoothing. We extend distance smoothing for any Minkowski distance. In addition, we extend the majorization approach to multidimensional scaling to have a one-step update for Minkowski parameters larger than 2 and use the results for distance smoothing. We present simple ideas for finding quadratic majorizing functions. The performance of distance smoothing is investigated in several examples, including two simulation studies. [References: 34] 34},
\r
7470 keywords = {Multidimensional scaling. Minkowski distances. Global optimization.
\r
7471 Smoothing. Majorization.
\r
7472 Library and Information Science in Current Contents(R)/Social and Behavioral
\r
7475 Reprint available from: Groenen PJF. Leiden Univ, Data Theory Grp, Dept
\r
7476 Educ, POB 9555, NL-2300 RB Leiden, Netherlands.},
\r
7480 author = {Gronwald, W. and Moussa, S. and Elsner, R. and Jung, A. and Ganslmeier, B. and Trenner, J. and Kremer, W. and Neidig, K.P. and Kalbitzer, H.R.},
\r
7481 title = {Automated assignment of NOESY NMR spectra using a knowledge based method (KNOWNOE)},
\r
7482 journal = {Journal of Biomolecular NMR},
\r
7485 pages = {271-287},
\r
7486 abstract = {Automated assignment of NOESY spectra is a prerequisite for automated structure determination of biological macromolecules. With the program KNOWNOE we present a novel, knowledge based approach to this problem. KNOWNOE is devised to work directly with the experimental spectra without interference of an expert. Besides making use of routines already implemented in AUREMOL, it contains as a central part a knowledge driven Bayesian algorithm for solving ambiguities in the NOE assignments. These ambiguities mainly arise from chemical shift degeneration which allows multiple assignments of cross peaks. Using a set of 326 protein NMR structures, statistical tables in the form of atom-pairwise volume probability distributions (VPDs) were derived. VPDs for all assignment possibilities relevant to the assignments of interproton NOEs were calculated. With these data for a given cross peak with N possible assignments A(i) (i = 1,...,N) the conditional probabilities P(A(i), a V-0 ) can be calculated that the assignment A(i) determines essentially all (a-times) of the cross peak volume V-0. An assignment A(k) with a probability P(A(k), a V-0) higher than 0.8 is transiently considered as unambiguously assigned. With a list of unambiguously assigned peaks a set of structures is calculated. These structures are used as input for a next cycle of iteration where a distance threshold D-max is dynamically reduced. The program KNOWNOE was tested on NOESY spectra of a medium size protein, the cold shock protein (TmCsp) from Thermotoga maritima. The results show that a high quality structure of this protein can be obtained by automated assignment of NOESY spectra which is at least as good as the structure obtained from manual data evaluation.},
\r
7487 keywords = {nuclear magnetic resonance (NMR)
\r
7489 nuclear Overhauser effect (NOE)
\r
7490 molecular structure
\r
7492 signal class recognition
\r
7494 molecular structure
\r
7495 correlated spectroscopy
\r
7501 @article{Gulasirima2007,
\r
7502 author = {Gulasirima, R. and Siripanich, P.},
\r
7503 title = {A Partial Robustifying Weighted Least Squares Estimator},
\r
7504 journal = {Thailand Statistician},
\r
7507 abstract = {The objective of this study is to introduce an alternative weighted least squares
\r
7508 estimator called a partial robustifying weighted least squares (RWLS2) estimator. The
\r
7509 weight is coincided with the weight of robustifying weighted least squares (RWLS1)
\r
7510 estimator proposed by Gulasirima and Siripanich [3] but is partially applied on residuals.
\r
7511 Based on ideas of Windham [7] and Gervini and Yohai [2], the proposed weight function
\r
7512 is assigned to be one for good observations and less than one for outliers or influential
\r
7513 observations. In particular the weight is a proportion of a power of density of errors.
\r
7514 RWLS2 is an alternative robust regression estimator which accommodates outliers whilst
\r
7515 all assumptions are retained.
\r
7516 The weighted normal random variable has an invariance property with zero
\r
7517 mean and decreasing variance. By the results of real data study, it is found that the
\r
7518 proposed weight can reduce the effect of influential outliers. RWLS2 performs as well as
\r
7519 RWLS1 by mean of R2 but slightly better by means of relative efficiency based on the
\r
7520 MSE of least squares (LS) estimator. Both estimators work as well as the LS in situation
\r
7521 of no outlier but obviously better when outliers exist.},
\r
7525 author = {Gumus, Z. H. and Floudas, C. A.},
\r
7526 title = {Global optimization of nonlinear bilevel programming problems},
\r
7527 journal = {Journal of Global Optimization},
\r
7531 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
7532 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0001 J. Glob. Optim},
\r
7533 abstract = {A novel technique that addresses the solution of the general nonlinear bilevel programming problem to global optimality is presented. Global optimality is guaranteed for problems that involve twice differentiable nonlinear functions as long as the linear independence constraint qualification condition holds for the inner problem constraints. The approach is based on the relaxation of the feasible region by convex underestimation, embedded in a branch and bound framework utilizing the basic principles of the deterministic global optimization algorithm, alpha BB [2, 4, 5, 11]. Epsilon global optimality in a finite number of iterations is theoretically guaranteed. Computational studies on several literature problems are reported. [References: 67] 67},
\r
7534 keywords = {Bilevel programming. Bilevel optimization. Twice-continuously
\r
7535 differentiable. Global optimization. Bilevel nonlinear. Nonconvex.
\r
7536 Mixed integer nonlinear optimization.
\r
7537 Differentiable constrained nlps. Chemical process design. Alpha-bb.
\r
7538 Penalty methods. Algorithms. Branch. Models.
\r
7539 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
7545 author = {Güntert, P.},
\r
7546 title = {Automated NMR protein structure calculation},
\r
7547 journal = {Progress in Nuclear Magnetic Resonance Spectroscopy},
\r
7550 pages = {105-125},
\r
7551 keywords = {journal
\r
7552 nuclear magnetic resonance (NMR)
\r
7554 molecular structure
\r
7556 chemical shift assignment
\r
7557 conformational constraints
\r
7558 automated structure determination
\r
7559 automated assignment
\r
7561 conformational analysis
\r
7566 author = {Güntert, P.},
\r
7567 title = {Automated NMR protein structure calculation with CYANA},
\r
7568 journal = { Meth. Mol. Biol. },
\r
7570 pages = {353-378},
\r
7574 author = {Güntert, P. and Braun, W. and Wüthrich, K.},
\r
7575 title = {Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA},
\r
7576 journal = {J. Mol. Biol.},
\r
7578 pages = {517-530},
\r
7579 keywords = {molecular structure
\r
7581 nuclear magnetic resonance (NMR)
\r
7582 distance geometry},
\r
7586 author = {Güntert, P. and Mumenthaler, C. and Wüthrich, K.},
\r
7587 title = {Torsion angle dynamics for NMR structure calculation with the new program DYANA},
\r
7588 journal = {J. Mol. Biol.},
\r
7590 pages = {283-298},
\r
7591 keywords = {molecular structure
\r
7593 nuclear magnetic resonance (NMR)
\r
7594 distance geometry},
\r
7598 author = {Gupta, H.V. and Hsu, K. and Sorooshian, S.},
\r
7599 title = {Superior training of artificial neural networks using weight-space partitioning},
\r
7600 booktitle = {International conference on neural networks},
\r
7601 address = {Houston, USA},
\r
7602 pages = {1919-1923},
\r
7606 author = {Gustafson, E.E. and Kessel, W.C.},
\r
7607 title = {Fuzzy clustering with a fuzzy covariance matrix},
\r
7608 booktitle = {IEEE CDC},
\r
7609 address = {San Diego},
\r
7610 pages = {761-766},
\r
7614 author = {Gutmann, H. M.},
\r
7615 title = {A radial basis function method for global optimization},
\r
7616 journal = {Journal of Global Optimization},
\r
7619 pages = {201-227},
\r
7620 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
7621 Reprint available from: Gutmann HM Univ Cambridge, Dept Appl Math and Theoret Phys Silver St Cambridge CB3 9EW England Univ Cambridge, Dept Appl Math and Theoret Phys Cambridge CB3 9EW England 0002 J. Glob. Optim},
\r
7622 abstract = {We introduce a method that aims to find the global minimum of a continuous nonconvex function on a compact subset of R-d. It is assumed that function evaluations are expensive and that no additional information is available. Radial basis function interpolation is used to define a utility function. The maximizer of this function is the next point where the objective function is evaluated. We show that, for most types of radial basis functions that are considered in this paper, convergence can be achieved without further assumptions on the objective function. Besides, it turns out that our method is closely related to a statistical global optimization method, the P-algorithm. A general framework for both methods is presented. Finally, a few numerical examples show that on the set of Dixon-Szego test functions our method yields favourable results in comparison to other global optimization methods. [References: 21] 21},
\r
7623 keywords = {Global optimization. Radial basis functions. Interpolation.
\r
7625 Algorithm. Search.
\r
7626 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
7632 @book{Gyorfi2002_book,
\r
7633 author = {Gyorfi, L. and Kohler, M. and Krzyzak, A. and Walk, H.},
\r
7634 title = {A Distribution-Free Theory of Nonparametric Regression},
\r
7635 publisher = {Springer},
\r
7636 address = {New York},
\r
7640 @book{Hoppner1999_book,
\r
7641 author = {H\"oppner, F. and Klawonn, F. and Kruse, R. and Runkler, T.},
\r
7642 title = {Fuzzy cluster analysis: methods for classification, data analysis, and image recognition},
\r
7643 publisher = {John Wiley},
\r
7644 address = {New York},
\r
7645 keywords = {Cluster analysis.
\r
7650 @book{HLD2004_book,
\r
7651 author = {H\"ormann, W. and Leydold, J. and Derflinger, G.},
\r
7652 title = {Automatic Nonuniform Random Variate Generation},
\r
7653 publisher = {Springer},
\r
7654 address = {Berlin},
\r
7658 @incollection{Hullermeier2006_inbook,
\r
7659 author = {H\"ullermeier, E.},
\r
7660 title = {The {C}hoquet-Integral as an Aggregation Operator in Case-Based Learning},
\r
7661 booktitle = {Computational Intelligence, Theory and Applications},
\r
7662 editor = {Reusch, B.},
\r
7663 publisher = {Springer},
\r
7664 address = {Berlin, Heidelberg},
\r
7665 pages = {615-627},
\r
7669 @article{Habshah2009,
\r
7670 author = {Habshah, M. and Norazan, M. R. and Rahmatullah Imon, A.H.M.},
\r
7671 title = {The performance of diagnosticrobust generalized potentials for the identification of multiple high leverage points in linear regression},
\r
7672 journal = {Journal of Applied Statistics},
\r
7675 pages = {507 - 520},
\r
7679 @inproceedings{Hader2002,
\r
7680 author = {Hader, S. and Hamprecht, F. A.},
\r
7681 title = {Efficient density clustering using basin spanning trees},
\r
7682 booktitle = {26th Conf. of the Gesellschaft für Klassifikation (GfKl)},
\r
7683 editor = {Schader, M. and Gaul, W. and Vichi, M.},
\r
7684 address = {Mannheim, Germany},
\r
7685 publisher = {Springer},
\r
7690 @article{Hadi1997_CSDA,
\r
7691 author = {Hadi, A.S. and Luceño, A.},
\r
7692 title = {Maximum trimmed likelihood estimators: a unified approach, examples, and algorithms},
\r
7693 journal = {Computational Statistics and Data Analysis},
\r
7695 pages = {251-272},
\r
7699 @article{Hadi1993_JASA,
\r
7700 author = {Hadi, A.S. and Simonoff, J.S.},
\r
7701 title = {Procedures for the identification of multiple outliers in linear models},
\r
7702 journal = {J. Amer. Statist. Assoc},
\r
7704 pages = {1264-1272},
\r
7709 author = {Hadi, A.S. and Simonoff, J.S.},
\r
7710 title = {Procedures for the Identification of Multiple Outliers in Linear Models},
\r
7711 journal = {Journal of the American Statistical Association},
\r
7714 pages = {1264-1272},
\r
7718 @article{Hadi1993,
\r
7719 author = {Hadi, A.S. and Simonoff, J.S.},
\r
7720 title = {Procedures for the Identification of Multiple Outliers in Linear Models},
\r
7721 journal = {Journal of the American Statistical Association},
\r
7724 pages = {1264-1272},
\r
7728 @article{Hagan1994,
\r
7729 author = {Hagan, M.T. and Menhaj, M.B.},
\r
7730 title = {Training Feedforward Networks with the {M}arquardt Algorithm},
\r
7731 journal = {IEEE Trans. on Neural Networks},
\r
7733 pages = {989-993},
\r
7737 @article{Hall2005_simplex,
\r
7738 author = {Hall, J.},
\r
7739 title = {Towards a practical parallelisation of the simplex method},
\r
7740 journal = {Computational Management Science},
\r
7741 volume = {submitted},
\r
7745 @article{Hall1998_AOR,
\r
7746 author = {Hall, J. and McKinnon, K.},
\r
7747 title = {ASYNPLEX, an asynchronous parallel revised simplex method algorithm},
\r
7748 journal = {Annals of Operations Research},
\r
7754 @article{Hall2001_AnnStat,
\r
7755 author = {Hall, P. and Huang, L.S.},
\r
7756 title = {Nonparametric kernel regression subject to monotonicity constraints},
\r
7757 journal = {Ann. Statist.},
\r
7759 pages = {624–647},
\r
7763 @article{Hampel1971,
\r
7764 author = {Hampel, F.R.},
\r
7765 title = {A general qualitative definition of robustness},
\r
7766 journal = {Annals of Math. Statistics},
\r
7768 pages = {1887-1896},
\r
7772 @article{Hampel1971,
\r
7773 author = {Hampel, F. R.},
\r
7774 title = {A General Qualitative Definition of Robustness},
\r
7775 journal = { Annals of Mathematical Statistics},
\r
7777 pages = {1887-1896},
\r
7781 @article{Han1997_SIAM,
\r
7782 author = {Han, L. and Schumaker, L.L.},
\r
7783 title = {Fitting monotone surfaces to scattered data using C1 piecewise cubics},
\r
7784 journal = {SIAM J. Numer. Anal.},
\r
7786 pages = {569-585},
\r
7790 author = {Han, Q. M. and Han, J. Y.},
\r
7791 title = {Revised filled function methods for global optimization},
\r
7792 journal = {Applied Mathematics and Computation},
\r
7795 pages = {217-228},
\r
7796 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
7797 Reprint available from: Han QM Nanjing Normal Univ, Sch Math and Comp Sci Nanjing 210097 Peoples R China Nanjing Normal Univ, Sch Math and Comp Sci Nanjing 210097 Peoples R China Chinese Acad Sci, Inst Appl Math Beijing 100080 Peoples R China 0009 Appl. Math. Comput},
\r
7798 abstract = {This paper considers the unconstrained global optimization with the revised filled function methods. The minimization sequence could leave from a local minimizer to a better minimizer of the objective function through solving an unary equation or minimizing an auxiliary function constructed at the local minimizer. Some promising numerical results are also included. (C) 2001 Elsevier Science Inc. All rights reserved. [References: 11] 11},
\r
7799 keywords = {Global minimizer. Local minimizer. The filled function method.
\r
7801 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
7807 @book{Hansen1992_book,
\r
7808 author = {Hansen, Eldon R.},
\r
7809 title = {Global optimization using interval analysis},
\r
7810 publisher = {M. Dekker},
\r
7811 address = {New York},
\r
7814 Monographs and textbooks in pure and applied mathematics; 165.
\r
7815 Includes bibliographical references (p. 215-222) and indexes.
\r
7816 Monographs and textbooks in pure and applied mathematics 165.},
\r
7817 keywords = {Mathematical optimization.
\r
7818 Interval analysis (Mathematics)
\r
7819 Nonlinear programming.},
\r
7823 @incollection{Hansen1995_inbook,
\r
7824 author = {Hansen, P. and Jaumard, B.},
\r
7825 title = {Lipschitz optimization},
\r
7826 booktitle = {Handbook of global optimization},
\r
7827 editor = {Horst, Reiner and Pardalos, P.},
\r
7828 publisher = {Kluwer},
\r
7829 address = {Dordrecht},
\r
7830 pages = {407-493},
\r
7834 @article{Hanson1982_acm,
\r
7835 author = {Hanson, R.J. and Haskell, K.H.},
\r
7836 title = {Algorithm 587. Two algorithms for the linearly constrained least squares problem},
\r
7837 journal = {ACM Trans. Math. Software},
\r
7839 pages = {323-333},
\r
7843 author = {Harding, S. T. and Floudas, C. A.},
\r
7844 title = {Global Optimization in Multiproduct and Multipurpose Batch Design under Uncertainty},
\r
7845 journal = {Industrial and Engineering Chemistry Research},
\r
7848 pages = {1644-1664},
\r
7849 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
7850 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
7851 abstract = {This paper addresses the design of multiproduct and multipurpose batch plants with uncertainty in both product demands and processing parameters. The uncertain demands may be described by any continuous/discrete probability distribution. Uncertain processing parameters are handled in a scenario-based approach. Through the relaxation of the feasibility requirement, the design problem with a fixed number of pieces of equipment per stage is formulated as a single large-scale nonconvex optimization problem. This problem is solved using a branch and bound technique in which a convex relaxation of the original nonconvex problem is solved to provide a lower bound on the global solution. Several different expressions for the tight convex lower bounding functions are proposed. Using these expressions, a tight lower bound on the global optimum solution can be obtained at each iteration. The alpha BB algorithm is subsequently employed to refine the upper and lower bounds and converge to the global solution. The tight lower bounds and the efficiency of the proposed approach is demonstrated in several example problems. These case studies correspond to large-scale global optimization problems with nonconvex constraints ranging in number from 25 to 3750, variables ranging from 30 to 15636 and nonconvex terms ranging from 50 to 15000. It is shown that such large-scale multiproduct and multipurpose batch design problems can be solved to global optimality with reasonable computational effort. [References: 23]},
\r
7852 keywords = {Chemical-plants. Equipment sizes. Demands.
\r
7853 Chemical engineering.},
\r
7857 author = {Harding, S. T. and Floudas, C. A.},
\r
7858 title = {Locating all heterogeneous and reactive azeotropes in multicomponent mixtures},
\r
7859 journal = {Industrial and Engineering Chemistry Research},
\r
7862 pages = {1576-1595},
\r
7863 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
7864 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0007 Ind. Eng. Chem. Res},
\r
7865 abstract = {A novel approach for enclosing all heterogeneous and reactive azeotropes in multicomponent mixtures is presented. The thermodynamic conditions for azeotropy form a system of nonlinear equations. A deterministic global optimization approach is introduced in which the global optimization problem may contain multiple global minima and there is a one-to-one correspondence between each global minimum and a potential azeotrope. An algorithm is presented which provides a theoretical guarantee that all global minima can be enclosed. This method is general and can be applied to multicomponent mixtures that are described by standard thermodynamic models. The problem formulations for finding all heterogeneous azeotropes and for finding all reactive azeotropes are presented. The effectiveness of the proposed approach is illustrated through several example problems using the Wilson, NRTL, UNIQUAC, and UNIFAC activity coefficient equations. [References: 26] 26},
\r
7866 keywords = {Homogeneous azeotropes. Liquid-mixtures. Phase. Equilibria. Systems.
\r
7867 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
7870 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
7871 Princeton, NJ 08544, USA, .},
\r
7875 author = {Harding, S. T. and Floudas, C. A.},
\r
7876 title = {Phase stability with cubic equations of state: Global optimization approach},
\r
7877 journal = {AICHE Journal},
\r
7880 pages = {1422-1440},
\r
7881 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
7882 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0013 AICHE J},
\r
7883 abstract = {Calculation of phase and chemical equilibria is of fundamental importance for the design and simulation of chemical processes. Methods of minimizing the Gibbs free energy provide equilibrium solutions that are candidates only for the true equilibrium solution, because the number and type of phases must be assumed before the Gibbs energy minimization problem can be formulated. The tangent plane stability criterion was used to determine the stability of a candidate equilibrium solution. The Gibbs energy minimization and tangent plane stability problems are challenging due to highly nonlinear thermodynamic functions. This work develops a global optimization approach for the tangent plane stability problem that provides a theoretical guarantee about the stability of the candidate equilibrium solution with computational efficiency. Cubic equations of state were used due to their ability to accurately predict the behavior of nonideal vapor and liquid phases across a broad range of pressures. The mathematical form of the stability problem was analyzed and nonlinear functions with special structure were identified to achieve faster convergence of the algorithm. This approach, when applied to the SRK, Peng-Robinson, and van der Waals cubic equations of state, could address a variety of mixing rules. Computational results on problems with two-eight components are presented. [References: 51] 51},
\r
7884 keywords = {Differentiable constrained nlps. Thermodynamic energy analysis.
\r
7885 Critical-point calculations. Isothermal flash problem. Gibbs
\r
7886 free-energy. Alpha-bb. Multiphase equilibria. Liquid equilibria.
\r
7887 Interval-analysis. Computation.
\r
7888 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
7891 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
7892 Princeton, NJ 08544, USA, .},
\r
7896 author = {Harding, S. T. and Maranas, C. D. and McDonald, C. M. and Floudas, C. A.},
\r
7897 title = {Locating All Homogeneous Azeotropes in Multicomponent Mixtures},
\r
7898 journal = {Industrial and Engineering Chemistry Research},
\r
7901 pages = {160-178},
\r
7902 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
7903 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
7904 abstract = {A novel approach for enclosing all homogeneous azeotropes in multicomponent mixtures is presented. The thermodynamic criteria for azeotropy are outlined, and mathematical equations for each criterion are developed. The global optimization approach is based on developing convex underestimators which are coupled with a branch and bound framework in which upper and lower bounds on the solution are refined by successively partitioning the target region into small disjoint rectangles. The objective of such an approach is to enclose all global minima since each global minimum corresponds to a homogeneous azeotrope. Because of the nature of the thermodynamic equations which describe the behavior of the liquid phase, the constraint equations are highly nonlinear and nonconvex. The success of this approach depends upon constructing valid convex lower bounds for each nonconvex function in the constraints. Four different thermodynamic models are studied, the Wilson, NRTL, UNIQUAC, and UNIFAC equations. Tight convex lower bounding functions are found for the nonconvex terms in each model. The unique element of the proposed approach is that it offers a theoretical guarantee of enclosing all homogeneous azeotropes. The effectiveness of the proposed approach is illustrated in several example problems. [References: 23]},
\r
7905 keywords = {Vapor-liquid-equilibria. Unifac group contribution. Fluid mixtures.
\r
7906 Algorithm. Extension. Equation. Revision.
\r
7907 Chemical engineering.},
\r
7912 author = {Hardy, .H. and Littlewood, J.E. and Polya, G.},
\r
7913 title = {Inequalities},
\r
7914 publisher = {Cambridge University Press},
\r
7915 address = {Cambridge },
\r
7919 author = {Hartke, B.},
\r
7920 title = {Global geometry optimization of molecular clusters: TIP4P water},
\r
7921 journal = {Zeitschrift fur Physikalische Chemie},
\r
7923 pages = {1251-1264},
\r
7928 @article{Haskell1981_mathprog,
\r
7929 author = {Haskell, K.H. and Hanson, R.},
\r
7930 title = {An algorithm for linear least squares problems with equality and nonnegativity constraints},
\r
7931 journal = {Math. Progr.},
\r
7937 @book{Hassoun1995_book,
\r
7938 author = {Hassoun, M.H.},
\r
7939 title = {Fundamentals of Artificial Neural Networks },
\r
7940 publisher = {MIT Press},
\r
7941 address = {Massachusetts},
\r
7945 @book{Hastie2001_book,
\r
7946 author = {Hastie, T. and Tibshirani, R. and Friedman, J.},
\r
7947 title = {The Elements of Statistical Learning},
\r
7948 publisher = {Springer-Verlag},
\r
7949 address = {New York, Berlin, Heidelberg},
\r
7953 author = {Hathaway, R. J. and Bezdek, J. C.},
\r
7954 title = {Nerf C-Means - Non-Euclidean Relational Fuzzy Clustering},
\r
7955 journal = {Pattern Recognition},
\r
7958 pages = {429-437},
\r
7959 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
7960 Reprint available from: Bezdek JC GEORGIA SO UNIV DEPT MATH and COMP SCI STATESBORO, GA 30460 USA GEORGIA SO UNIV DEPT MATH and COMP SCI STATESBORO, GA 30460 USA UNIV W FLORIDA DEPT COMP SCI PENSACOLA, FL 32514 USA 0009},
\r
7961 abstract = {The relational fuzzy c-means (RFCM) algorithm can be used to cluster a set of n objects described by pair-wise dissimilarity values if (and only if) there exist n points in R(n-1) whose squared Euclidean distances precisely match the given dissimilarity data. This strong restriction on the dissimilarity data renders RFCM inapplicable to most relational clustering problems. This paper substantially improves RFCM by generalizing it to the case of arbitrary (symmetric) dissimilarity data. The generalization is obtained using a computationally efficient modification of the existing algorithm that is equivalent to applying a ''spreading'' transformation to the dissimilarity data. While the method given applies specifically to dissimilarity data, a simple transformation can be used to convert similarity relations into dissimilarity data, so the method is applicable to any numerical relational data that are positive, reflexive (or anti-reflexive) and symmetric. Numerical examples illustrate and compare the present approach to problems that can be studied with alternatives such as the linkage algorithms. [References: 14] 14},
\r
7962 keywords = {Cluster analysis. Dissimilarity measure. Fuzzy sets. Multidimensional
\r
7963 scaling. Non-euclidean data. Relational data. Relational fuzzy
\r
7966 Ai, robotics and automatic control.
\r
7967 Reprint available from: Bezdek JC. GEORGIA SO UNIV, DEPT MATH and COMP SCI,
\r
7968 STATESBORO, GA 30460, USA.},
\r
7972 author = {Hatzimanikatis, V. and Floudas, C. A. and Bailey, J. E.},
\r
7973 title = {Analysis and Design of Metabolic Reaction Networks Via Mixed-Integer Linear Optimization},
\r
7974 journal = {AICHE Journal},
\r
7977 pages = {1277-1292},
\r
7978 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
7979 Reprint available from: Bailey JE ETH ZURICH INST BIOTECHNOL CH-8093 ZURICH SWITZERLAND ETH ZURICH INST BIOTECHNOL CH-8093 ZURICH SWITZERLAND CALTECH DEPT CHEM ENGN PASADENA, CA 92215 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0008},
\r
7980 abstract = {Improvements in bioprocess performance can be achieved by genetic modifications of metabolic control structures. A novel optimization problem helps quantitative understanding and rational metabolic engineering of metabolic reaction pathways. Maximizing the performance of a metabolic reaction pathway is treated as a mixed-integer linear programming formulation to identify changes in regulatory structure and strength and in cellular content of pertinent enzymes which should be implemented to optimize a particular metabolic process. A regulatory superstructure proposed contains all alternative regulatory structures that can be considered for a given pathway. This is approach is followed. to find the optimal regulatory structure for maximization of phenylalanine selectivity in the microbial aromatic amino acid synthesis pathway. The solution suggests that from the eight feedback inhibitory loops in the original regulatory structure of this pathway, inactivation of at least three loops and over expression of three enzymes will increase phenylalanine selectivity by 42%. Moreover, novel regulatory structures with only two loops, none of which exists in the original pathway could result in a selectivity up to 95%. [References: 34] 34},
\r
7981 keywords = {Mathematical-model. Enzymatic chains. Escherichia-coli. Pathways.
\r
7982 Growth. Dynamics. Systems.
\r
7983 Chemical engineering.
\r
7984 Reprint available from: Bailey JE. ETH ZURICH, INST BIOTECHNOL, CH-8093
\r
7985 ZURICH, SWITZERLAND.},
\r
7989 author = {Hatzimanikatis, V. and Floudas, C. A. and Bailey, J. E.},
\r
7990 title = {Optimization of Regulatory Architectures in Metabolic Reaction Networks},
\r
7991 journal = {Biotechnology and Bioengineering},
\r
7994 pages = {485-500},
\r
7995 note = {Current Contents/Life Sciences Current Contents/Agriculture, Biology and Environmental Sciences.
\r
7996 Reprint available from: Bailey JE ETH ZURICH INST BIOTECHNOL CH-8093 ZURICH SWITZERLAND ETH ZURICH INST BIOTECHNOL CH-8093 ZURICH SWITZERLAND CALTECH DEPT CHEM ENGN PASADENA, CA USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0004},
\r
7997 abstract = {Successful biotechnological applications, such as amino acid production, have demonstrated significant improvement in bioprocess performance by genetic modifications of metabolic control architectures and enzyme expression levels. However, the stoichiometric complexity of metabolic pathways, along with their strongly nonlinear nature and regulatory coupling, necessitates the use of structured kinetic models to direct experimental applications and aid in quantitative understanding of cellular bioprocesses. A novel optimization problem is introduced here, the objective of which is to identify changes in the regulatory characteristics of pertinent enzymes and in their cellular content which should be implemented to optimize a particular metabolic process. The mathematical representation of the metabolic reaction networks used is the S-system representation, which at steady state is characterized by linear equations. Exploiting the linearity of the representation, we formulated the optimization problem as a mixed-integer linear programming (MILP) problem. This formulation allows the consideration of a regulatory superstructure that contains all alternative regulatory structures that can be considered for a given pathway. The proposed approach is developed and illustrated using a simple linear pathway. Application of the framework on a complicated pathway-namely, the xanthine monophosphate (XMP) acid guanosine monophosphate (GMP) synthesis pathway-identified the modification of the regulatory architecture that, along with changes in enzyme expression levels, can increase the XMP and GMP concentration by over 114 times the reference value, which is 50 times more than could be achieved by changes in enzyme expression levels only. (C) 1996 John Wiley and Sons, Inc. [References: 40] 40},
\r
7998 keywords = {Mathematical modeling. Metabolic reaction network. Xanthine
\r
7999 monophosphate synthesis. Guanosine monophosphate synthesis.
\r
8000 Biochemical systems analysis. Power-law approximation.
\r
8001 Mathematical-model. Enzymatic chains. Escherichia-coli. Pathways.
\r
8002 Growth. Representations. Dynamics.
\r
8004 Biotechnology and applied microbiology.
\r
8005 Reprint available from: Bailey JE. ETH ZURICH, INST BIOTECHNOL, CH-8093
\r
8006 ZURICH, SWITZERLAND.},
\r
8010 author = {Havel, H.A.},
\r
8011 title = {Spectroscopic Methods for Determining Protein Structure in Solution},
\r
8012 publisher = {Wiley},
\r
8013 abstract = {This book is concerned with applications of spectroscopic methods to determine protein structure in solution. The methods which are covered include virtually every method which involves the interaction of electromagnetic radiation with proteins in solution and the chapters are written by acknowledged experts from industry and academic institutions. The reader will be able to use this book to decide which spectroscopic techniques will be applicable to the problem he is faced with and be referred to the primary literature which should be most helpful.},
\r
8017 author = {Havel, T.F.},
\r
8018 title = {An evaluation of computational strategies for use in the determination of protein structure from distance constraints obtained by nuclear magnetic resonance},
\r
8019 journal = {Prog. Biophys. Mol. Biol.},
\r
8022 keywords = {journal
\r
8023 nuclear magnetic resonance (NMR)
\r
8026 molecular conformation
\r
8027 molecular structure},
\r
8031 author = {Havel, T.F. and Kuntz, I.D. and Crippen, G.M.},
\r
8032 title = {The effect of distance constraints on macromolecular conformation. II. Simulation of experimental results and theoretical predictions},
\r
8033 journal = {Biopolymers},
\r
8036 keywords = {distance geometry
\r
8038 molecular conformation
\r
8039 molecular structure},
\r
8043 @article{Hawkins1993_CSDA,
\r
8044 author = {Hawkins, D. M.},
\r
8045 title = {The Feasible Set Algorithm for Least Median of Squares Regression},
\r
8046 journal = {Computational Statistics and Data Analysis},
\r
8052 @article{Hawkins1984,
\r
8053 author = {Hawkins, D.M. and Bradu, D. and Kass, G.V.},
\r
8054 title = {Location of Several Outliers in Multiple-Regression Data Using Elemental Sets},
\r
8055 journal = {Technometrics},
\r
8058 pages = {197-208},
\r
8062 @article{Hawkins1984_Tech,
\r
8063 author = {Hawkins, D. M. and Bradu, D. and Kass, V.},
\r
8064 title = {Location of several outliers in multiple-regression data using elemental sets},
\r
8065 journal = {Technometrics},
\r
8067 pages = {197-208},
\r
8071 author = {Hawkins, D.M. and McLachlan, G.J. },
\r
8072 title = {High-breakdown linear discriminant analysis},
\r
8073 journal = {J. Amer. Statist. Assoc},
\r
8075 pages = {136-143},
\r
8079 @article{Hawkins1999_CSDA,
\r
8080 author = {Hawkins, D. M. and Olive, D. J.},
\r
8081 title = {Applications and Algorithms for Least Trimmed Sum of Absolute Deviations Regression},
\r
8082 journal = {Computational Statistics and Data Analysis},
\r
8084 pages = {119-134},
\r
8088 @article{Hawkins1999_CSDA1,
\r
8089 author = {Hawkins, D. M. and Olive, D. J.},
\r
8090 title = {Improved Feasible Solution Algorithms for High Breakdown Estimation},
\r
8091 journal = {Computational Statistics and Data Analysis},
\r
8097 @article{Hawkins2003_JASA,
\r
8098 author = {Hawkins, D. M. and Olive, D. J.},
\r
8099 title = {Inconsistency of Resampling Algorithms for High-Breakdown Regression Estimators and a New Algorithm},
\r
8100 journal = {J. Amer. Statist. Assoc},
\r
8102 pages = {136-148},
\r
8106 @article{Hawkins1993_AS,
\r
8107 author = {Hawkins, D. M. and Simonoff, J.S.},
\r
8108 title = {High breakdown regression and multivariate estimation},
\r
8109 journal = {Applied Statistics},
\r
8111 pages = {423-432},
\r
8115 author = {He, Suyan and Jiang, Yuxi and Pan, Shaohua},
\r
8116 title = {An entropy regularization technique for minimizing a sum of Tchebycheff norms},
\r
8117 journal = {Applied Numerical Mathematics},
\r
8120 pages = {208-223},
\r
8121 note = {doi: DOI: 10.1016/j.apnum.2009.11.005},
\r
8122 keywords = {Sum of Tchebycheff norms
\r
8123 Entropy regularization
\r
8125 Primal-dual trajectory
\r
8126 Quadratic convergence},
\r
8130 author = {He, X. and Shi, P.},
\r
8131 title = {Monotone B-spline smoothing},
\r
8132 journal = {J. Am. Stat. Ass.},
\r
8134 pages = {643-650},
\r
8138 @techreport{Hearne1998_TR,
\r
8139 author = {Hearne, L.B. and Wegman, E.J.},
\r
8140 title = {Multivariate Nonparametric Density Estimation using Random Linear Tessellations},
\r
8141 institution = {Centre for Comput. Statist., George Mason University},
\r
8146 author = {Hedlund, Peter and Gustavsson, Anders},
\r
8147 title = {Design and evaluation of and effective modified simplex method},
\r
8148 journal = {Analytica Chimica Acta},
\r
8150 pages = {257-267},
\r
8151 note = {Preventing the simplex from degeneracy (repeated failed contractions) is importat for the convergence of the simplex.},
\r
8152 abstract = {Different modification concerning the efficiency and the convergence ability of the modified simplex method were evaluated for four test functions. The evaulations showed that both the efficiency and the convergence ability of the simplex method will probably be enhanced by implementing a degeneracy constraint. [References: 9]},
\r
8153 keywords = {optimisation; simplex},
\r
8157 author = {Hemmi, H. and Yoshida, T. and Kumazaki, T. and Nemoto, N. and Hasegawa, J. and Nishioka, F. and Kyogoku, Y. and Yokosawa, H. and Kobayashi, Y.},
\r
8158 title = {Solution structure of ascidian trypsin inhibitor determined by nuclear magnetic resonance spectroscopy},
\r
8159 journal = {Biochemistry},
\r
8162 pages = {10657-10664},
\r
8163 abstract = {The three-dimensional solution structure of ascidian trypsin inhibitor (ATI), a 55 amino acid residue protein with four disulfide bridges, was determined by means of two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy. The resulting structure of ATI was characterized by an alpha-helical conformation in residues 35-42 and a three-stranded antiparallel beta-sheet in residues 22-26, 29-32, and 48-50. The presence of an alpha-helical conformation was predicted from the consensus sequences of the cystine-stabilized alpha-helical (CSH) motif, which is characterized by an alpha-helix structure in the Cys-X-1-X-2-X-3-Cys portion (corresponding to residues 37-41), linking to the Cys-X-Cys portion (corresponding to residues 12-14) folded in an extended structure. The secondary structure and the overall folding of the main chain of ATI were very similar to those of the Kazal-type inhibitors, such as Japanese quail ovomucoid third domain (OMJPQ3) and leech-derived tryptase inhibitor form C (LDTI-C), although ATI does not show extensive sequence homology to these inhibitors except for a few amino acid residues and six of eight half-cystines. On the basis of these findings, we realign the amino acid sequences of representative Kazal-type inhibitors including ATI and discuss the unique structure of ATI with four disulfide bridges.},
\r
8164 keywords = {Kazal-type inhibitor
\r
8165 stable proteinase-inhibitor
\r
8166 elastase-specific inhibitor
\r
8167 spin coupling-constants
\r
8168 amino-acid sequence
\r
8169 mast-cell tryptase
\r
8172 crystallographic refinement
\r
8173 3-dimensional structure
\r
8174 nuclear magnetic resonance (NMR)
\r
8175 molecular structure
\r
8180 @article{Hennig2004_AS,
\r
8181 author = {Hennig, C.},
\r
8182 title = {Breakdown points for maximum likelihood estimators of locationscale mixtures},
\r
8183 journal = {Annals of Statistics},
\r
8185 pages = {1313-1340},
\r
8189 @article{Herrera1997_TSMS,
\r
8190 author = {Herrera, F. and Herrera-Viedma, E.},
\r
8191 title = {Aggregation Operators for Linguistic Weighted Information},
\r
8192 journal = {IEEE Trans. on Syst., Man, and Cybernetics},
\r
8194 pages = {646-656},
\r
8198 @article{Herrera2000_FSS,
\r
8199 author = {Herrera, F. and Herrera-Viedma, E.},
\r
8200 title = {Linguistic decision analysis: {S}teps for solving decision problems under linguistic information},
\r
8201 journal = {Fuzzy Sets and Systems},
\r
8207 @article{Herrera2003_IJIS,
\r
8208 author = {Herrera, F. and Herrera-Viedma, E. and Chiclana, F.},
\r
8209 title = {A Study of the Origin and Uses of the {O}rdered {W}eighted {G}eometric Operator in Multicriteria Decision Making},
\r
8210 journal = {Int. J. Intelligent Systems},
\r
8212 pages = {689-707},
\r
8216 @article{Herrera1996_FSS,
\r
8217 author = {Herrera, F. and Herrera-Viedma, E. and Verdegay, J. L.},
\r
8218 title = {Direct approach processes in group decision making using linguistic {OWA} operators},
\r
8219 journal = {Fuzzy Sets and Systems},
\r
8221 pages = {175?190},
\r
8225 @article{Herrera1998_FSS,
\r
8226 author = {Herrera, F. and Herrera-Viedma, E. and Verdegay, J. L.},
\r
8227 title = {Choice processes for non-homogeneous group decision making in linguistic setting},
\r
8228 journal = {Fuzzy Sets and Systems},
\r
8230 pages = {287-308},
\r
8234 author = {Hertz, D. and Adjiman, C. S. and Floudas, C. A.},
\r
8235 title = {Two results on bounding the roots of interval polynomials},
\r
8236 journal = {Computers and Chemical Engineering},
\r
8239 pages = {1333-1339},
\r
8240 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
8241 Reprint available from: Floudas CA Princeton Univ, Sch Engn and Appl Sci, Dept Chem Engn, Engn Quadrangle Princeton, NJ 08544 USA Princeton Univ, Sch Engn and Appl Sci, Dept Chem Engn, Engn Quadrangle Princeton, NJ 08544 USA RAFAEL, Dept 82 IL-31021 Haifa Israel Univ London Imperial Coll Sci Technol and Med, Ctr Proc Syst Engn London SW6 2BY England 0016 Comput. Chem. Eng},
\r
8242 abstract = {The problem of bounding the zeros of a polynomial of degree n greater than or equal to 2 with real or complex coefficients, is considered and an improved Cauchy bound is proposed. This new bound is applied to two examples and compared with existing approaches. The methodology is then extended to the case of polynomials of degree n greater than or equal to 2 with interval Coefficients. A counter-example to theorem 3.8 in Adjiman, Androulakis, Maranas and Floudas (1996), used in the alpha BB algorithm to compute a tight lower bound on the minimum real part of the zeros of an interval polynomial is also presented. An alternative approach that uses the improved Cauchy bound as a starting point is developed. (C) 1999 Elsevier Science Ltd. All rights reserved. [References: 13] 13},
\r
8243 keywords = {Bounding. Roots. Interval polynomials. Cauchy bound.
\r
8244 Global optimization method. Differentiable constrained nlps. Alpha-bb.
\r
8246 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
8249 Reprint available from: Floudas CA. Princeton Univ, Sch Engn and Appl Sci,
\r
8250 Dept Chem Engn, Engn Quadrangle, Princeton, NJ 08544, USA, .},
\r
8254 author = {Hill, J.-R. and Freeman, C.M. and Subramanian, L.},
\r
8255 title = {Use of force fields in materials modeling},
\r
8256 booktitle = {Reviews in Computational Chemistry},
\r
8257 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
8258 publisher = {Wiley-VCH},
\r
8259 address = {New York},
\r
8261 pages = {141-216},
\r
8262 keywords = {potential energy surface (PES)
\r
8263 molecular dynamics (MD)
\r
8264 molecular mechanics (MM)
\r
8265 molecular modelling
\r
8270 @inproceedings{Hinneburg1998_KDD,
\r
8271 author = {Hinneburg, A. and Keim, D.A.},
\r
8272 title = {An efficient approach to clustering in large multimedia databases with noise},
\r
8273 booktitle = {Knowledge Discovery and Data Mining},
\r
8274 address = {New York},
\r
8280 author = {Hoberock, J. and Bell, N.},
\r
8281 title = {Thrust, 2012. http://thrust.github.com/ Last accessed {J}uly 31},
\r
8282 volume = {Last accessed July 31},
\r
8286 author = {Hock, J.C. and Stern, A.S.},
\r
8287 title = {A method for determining overall protein folding from NMR distance restraints},
\r
8288 journal = {Journal of Biomolecular NMR},
\r
8290 pages = {535-543},
\r
8291 keywords = {nuclear magnetic resonance (NMR)
\r
8293 nuclear Overhauser effect (NOE)
\r
8294 molecular structure
\r
8300 author = {Hodrokoukes, P. and Floudas, G. and Pispas, S. and Hadjichristidis, N.},
\r
8301 title = {Microphase separation in normal and inverse tapered block copolymers of polystyrene and polyisoprene. 1. Phase state},
\r
8302 journal = {Macromolecules},
\r
8305 pages = {650-657},
\r
8306 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
8307 Reprint available from: Hadjichristidis N Univ Athens, Dept Chem Athens 15771 Greece Univ Athens, Dept Chem Athens 15771 Greece Inst Elect Struct and Laser, Fdn Res and Technol Hellas Heraklion 71110 Crete Greece 0045 Macromolecules},
\r
8308 abstract = {We have investigated the influence of composition gradients on the microdomain structure and viscoelastic properties of tapered block copolymers by (i) varying the amount of interfacial material and (ii) the block sequence. Normal tapered and inverse tapered triblock copolymers of polystyrene and polyisoperne with a tapered midblock have been synthesized via anionic polymerization with a nearly symmetric composition and compared with the corresponding diblock copolymers. We found that increasing the amount of tapered material within the interface systematically increases the compatibility. Block sequencing is found to be an important factor controlling compatibility. Inverse tapered block copolymers are much more compatible than the corresponding normal tapered block copolymers. Results presented here could be used as a guideline for preparing copolymers with controlled compatibility at the synthesis level. [References: 28] 28},
\r
8309 keywords = {Order-disorder transition. Polymers. Simulation. Kinetics. Styrene.
\r
8311 Organic Chemistry/Polymer Science in Current Contents(R)/Physical,
\r
8312 Chemical and Earth Sciences.
\r
8317 @article{Hofmann2010_JCGS,
\r
8318 author = {Hofmann, M. and Gatu, C. and Kontoghiorghes, E.J.},
\r
8319 title = {An Exact Least Trimmed Squares Algorithm for a Range of Coverage Values},
\r
8320 journal = {Journal of Computational and Graphical Statistics},
\r
8323 pages = {191-204},
\r
8327 author = {Holaday, S.K., Jr. and Martin, B.M. and Fletcher, P.L., Jr. and Krishna, N.R.},
\r
8328 title = {NMR solution structure of butantoxin},
\r
8329 journal = {Archives of Biochemistry and Biophysics},
\r
8333 keywords = {journal
\r
8334 nuclear magnetic resonance (NMR)
\r
8335 nuclear Overhauser effect (NOE)
\r
8340 @article{Holladay1957,
\r
8341 author = {Holladay, J. C.},
\r
8342 title = {A Smoothest Curve Approximation},
\r
8343 journal = {Mathematical Tables and Other Aids to Computation},
\r
8346 pages = {233-243},
\r
8350 author = {Höltje, H-D. and Sippl, W. and Rognan, D. and Folkers, G.},
\r
8351 title = {Molecular Modeling: Basic Principles and Applications},
\r
8352 publisher = {Wiley-VCH},
\r
8353 address = {Weinheim},
\r
8357 author = {Holzgrabe, U. and Wawer, I. and Diehl, B.},
\r
8358 title = {NMR Spectroscopy in Drug Development and Analysis},
\r
8359 publisher = {Wiley-VCH},
\r
8360 address = {Weinheim},
\r
8364 author = {Hopkins, R. E.},
\r
8365 title = {Global Optimization - Is It a Misnomer},
\r
8366 journal = {Optical Engineering},
\r
8370 note = {Current Contents/Physical, Chemical and Earth Sciences Current Contents/Engineering, Technology and Applied Sciences.
\r
8371 Reprint available from: Hopkins RE 2001 S CLINTON AVE ROCHESTER, NY 14618 USA 0002},
\r
8372 abstract = {Practical solutions for most optical system designs require small third-order aberrations. True global optimization requires repeated searches based on experience. Ready acceptance of a final solution can lead to problems.},
\r
8373 keywords = {Lens design. Global optimization.
\r
8374 Applied physics/condensed matter
\r
8375 Optics and acoustics.
\r
8376 Reprint available from: Hopkins RE. 2001 S CLINTON AVE, ROCHESTER, NY
\r
8381 @article{Hormann1995_ACM,
\r
8382 author = {Hormann, W.},
\r
8383 title = {A rejection technique for sampling from T-concave distributions},
\r
8384 journal = {ACM Transactions on Mathematical Software},
\r
8386 pages = {182-193},
\r
8390 author = {Hornik, Kurt and Stinchcombe, Maxwell and White, Halbert},
\r
8391 title = {Multilayer feedforward networks are universal approximators},
\r
8392 journal = {Neural Networks},
\r
8395 pages = {359-366},
\r
8396 note = {doi: 10.1016/0893-6080(89)90020-8},
\r
8397 keywords = {Feedforward networks
\r
8398 Universal approximation
\r
8400 Network representation capability
\r
8401 Stone-Weierstrass Theorem
\r
8402 Squashing functions
\r
8404 Back-propagation networks},
\r
8408 @article{Hornung1980,
\r
8409 author = {Hornung, U.},
\r
8410 title = {Interpolation by smooth functions under restrictions on the derivatives},
\r
8411 journal = {J. Approx. Theory},
\r
8413 pages = {227-237},
\r
8417 @book{Horst2000_book,
\r
8418 author = {Horst, R. and Pardalos, P. and Thoai, N.V.},
\r
8419 title = {Introduction to Global Optimization},
\r
8420 publisher = {Kluwer Academic Publishers},
\r
8421 address = {Dordrecht},
\r
8424 series = {Nonconvex Optimization and its Applications},
\r
8425 abstract = {Most of the existing books on optimization focus on the problem of computing locally optimal solutions. Global optimization is concerned with the computation and characterization of global optima of nonlinear functions. Global optimization problems are widespread in the mathematical modeling of real world systems for a very broad range of applications. During the past three decades many new theoretical, algorithmic, and computational contributions have helped to solve globally multi-extreme problems arising from important practical applications. Introduction to Global Optimization is the first comprehensive textbook that covers the fundamentals in global optimization. The second edition includes algorithms, applications, and complexity results for quadratic programming, concave minimization, DC and Lipshitz problems, decomposition algorithms for nonconvex optimization, and nonlinear network flow problems. Each chapter contains illustrative examples and ends with carefully selected exercises, which are designed to help the student to get a grasp of the material and enhance their knowledge of global optimization methods. Audience: This textbook is addressed not only to students of mathematical programming, but to all scientists in various disciplines who need global optimization methods to model and solve problems.},
\r
8429 @book{Horst1995_book,
\r
8430 author = {Horst, R. and Pardalos, P. M.},
\r
8431 title = {Handbook of Global Optimization},
\r
8432 publisher = {Kluwer Academic Publishers},
\r
8433 address = {Dordrecht; Boston},
\r
8434 series = {Nonconvex Optimization and its Applications},
\r
8435 keywords = {Mathematical optimization.
\r
8436 Nonlinear programming.},
\r
8440 @book{Horst1990_book,
\r
8441 author = {Horst, Reiner and Tuy, Hoang},
\r
8442 title = {Global optimization: deterministic approaches},
\r
8443 publisher = {Springer-Verlag},
\r
8444 address = {Berlin; New York},
\r
8446 Reiner Horst, Hoang Tuy.
\r
8447 Includes bibliographical references (p. [657]-688)},
\r
8448 keywords = {Mathematical optimization.
\r
8449 Nonlinear programming.},
\r
8453 @book{Horst1993_book,
\r
8454 author = {Horst, R. and Tuy, H.},
\r
8455 title = {Global optimization: deterministic approaches},
\r
8456 publisher = {Springer-Verlag},
\r
8457 address = {Berlin; New York},
\r
8458 edition = {2nd rev.},
\r
8459 keywords = {Mathematical optimization.
\r
8460 Nonlinear programming.},
\r
8464 author = {Huang, H.X. and Liang, Z.A. and Pardalos, P.M.},
\r
8465 title = {Some properties for the Euclidean distance matrix and positive semidefinite matrix completion problems},
\r
8466 journal = {Journal of Global Optimization},
\r
8470 abstract = {The Euclidean distance matrix (EDM) completion problem and the positive semidefinite (PSD) matrix completion problem are considered in this paper. Approaches to determine the location of a point in a linear manifold are studied, which are based on a referential coordinate set and a distance vector whose components indicate the distances from the point to other points in the set. For a given referential coordinate set and a corresponding distance vector, sufficient and necessary conditions are presented for the existence of such a point that the distance vector can be realized. The location of the point (if it exists) given by the approaches in a linear manifold is independent of the coordinate system, and is only related to the referential coordinate set and the corresponding distance vector. An interesting phenomenon about the complexity of the EDM completion problem is described. Some properties about the uniqueness and the rigidity of the conformation for solutions to the EDM and PSD completion problems are presented.},
\r
8471 keywords = {global optimization
\r
8472 Euclidean distance geometry problem
\r
8473 Euclidean distance matrix (edm) completion
\r
8474 positive semidefinite (psd) matrix completion problem
\r
8475 partial edm (psd) matrix
\r
8477 referential coordinate set
\r
8479 unique conformation
\r
8480 rigid conformation
\r
8481 geometry optimization
\r
8482 molecular structure
\r
8484 conformational analysis},
\r
8488 author = {Huang, L. and Zhu, W. and Saunders, C.P. and J.N., MacLeod. and Zhou, M. and Stromberg, A. and Bathke, A.C.},
\r
8489 title = {A novel application of quantile regression for identification of biomarkers exemplified by equine cartilage microarray data},
\r
8490 journal = {BMC Bioinformatics},
\r
8492 pages = {300-308},
\r
8496 @book{Huber1991_book,
\r
8497 author = {Huber, P.J.},
\r
8498 title = {Robust Statistics},
\r
8499 publisher = {Wiley},
\r
8500 address = {New York},
\r
8504 @article{Hubert2009,
\r
8505 author = {Hubert, M. and Debruyne, M.},
\r
8506 title = {Breakdown value},
\r
8507 journal = {WIREs Computational Statistics},
\r
8509 pages = {296-302},
\r
8510 abstract = {The breakdown value is a popular measure of the robustness of an estimator
\r
8511 against outlying observations. Roughly speaking, it indicates the smallest fraction
\r
8512 of contaminants in a sample that causes the estimator to break down, that is, to
\r
8513 take on values that are arbitrarily bad or meaningless. In this paper, we recall the
\r
8514 definition of the finite sample as well as the asymptotic breakdown value of an
\r
8515 estimator, and we give several examples of well-known estimators for location,
\r
8516 scatter, and regression.We discuss the maximal attainable breakdown values and
\r
8517 give an overview of high-breakdown estimators that attain this maximal bound.
\r
8518 Finally, we refer to some issues in more complex models . ? 2009 John Wiley & Sons,
\r
8519 Inc. WIREs Comp Stat 2009 1 296–302},
\r
8523 @article{Hubert2002_comment,
\r
8524 author = {Hubert, M. and Rousseeuw, P.J. and Van Aelst, S.},
\r
8525 title = {Comment: Inconsistency of Resampling Algorithms for High-Breakdown Regression Estimators and a New Algorithm},
\r
8526 journal = {J. of American Statistical Association},
\r
8528 pages = {151-153},
\r
8532 @article{Huber2008_SS,
\r
8533 author = {Hubert, M. and Rousseeuw, P.J. and Van Aelst, S.},
\r
8534 title = {High-Breakdown Robust Multivariate Methods},
\r
8535 journal = {Statist. Sci. },
\r
8541 @article{Hubert2008,
\r
8542 author = {Hubert, M. and Rousseeuw, P.J. and Van Aelst, S.},
\r
8543 title = {High-Breakdown Robust Multivariate Methods},
\r
8544 journal = {Statistical Science},
\r
8551 @article{Hughes1975_nature,
\r
8552 author = {Hughes, J.M. and Smith, T.W. and Kosterlitz, H.W. and Fothergill, L.A. and Morgan, B.A. and Morris, H.R.},
\r
8553 title = {Identification of two related pentapeptides from the brain with potent opiate agonist activity},
\r
8554 journal = {Nature},
\r
8556 pages = {577-580},
\r
8560 @article{HutHoog1985,
\r
8561 author = {Hutchinson, M.F. and Hoog, F.R. de},
\r
8562 title = {Smoothing noisy data with spline functions},
\r
8563 journal = {Numer.Math},
\r
8569 @article{Hutchison1994_JF,
\r
8570 author = {Hutchison, J.M. and Lo, A.W. and Poggio, T.},
\r
8571 title = {A nonparametric approach to pricing and hedging derivative securities via learning networks},
\r
8572 journal = {J. of Finance},
\r
8574 pages = {851-889},
\r
8578 author = {Huyer, W. and Neumaier, A.},
\r
8579 title = {Global optimization by multilevel coordinate search},
\r
8580 journal = {Journal of Global Optimization},
\r
8583 pages = {331-355},
\r
8584 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
8585 Reprint available from: Huyer W Univ Vienna, Inst Math Strudlhofgasse 4 A-1090 Vienna Austria Univ Vienna, Inst Math A-1090 Vienna Austria 0001 J. Glob. Optim},
\r
8586 abstract = {Inspired by a method by Jones et al. (1993), we present a global optimization algorithm based on multilevel coordinate search. It is guaranteed to converge if the function is continuous in the neighborhood of a global minimizer. By starting a local search from certain good points, an improved convergence result is obtained. We discuss implementation details and give some numerical results. [References: 30] 30},
\r
8587 keywords = {Global optimization. Bound constraints. Local optimization. Coordinate
\r
8589 Algorithm. Minimization. Selection.
\r
8590 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
8593 Reprint available from: Huyer W. Univ Vienna, Inst Math, Strudlhofgasse
\r
8594 4, A-1090 Vienna, Austria.},
\r
8598 @book{Hwang1987_book,
\r
8599 author = {Hwang, C.-L. and Lin, M.J.},
\r
8600 title = {Group Decision Making under Multiple Criteria},
\r
8601 publisher = {Springer},
\r
8602 address = {Berlin},
\r
8606 @book{Hwang1979_book,
\r
8607 author = {Hwang, C.-L. and Masud, A.S.M.},
\r
8608 title = {Multiple Objective Decitions Making -- Methods and Applications},
\r
8609 publisher = {Springer},
\r
8610 address = {Heidelberg},
\r
8614 @book{Hwang1981_book,
\r
8615 author = {Hwang, C.-L. and Yoon, K.},
\r
8616 title = {Multiple Attribute Decision Making. Methods and Applications},
\r
8617 publisher = {Springer},
\r
8618 address = {Heidelberg},
\r
8622 author = {Ierapetritou, M. G. and Floudas, C. A.},
\r
8623 title = {Effective Continuous-Time Formulation for Short-Term Scheduling - 1 - Multipurpose Batch Processes},
\r
8624 journal = {Industrial and Engineering Chemistry Research},
\r
8627 pages = {4341-4359},
\r
8628 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
8629 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
8630 abstract = {During the last decade, the problem of production scheduling has been realized to be one of the most important problems in industrial plant operations especially when multipurpose/multiproduct batch processes are involved. This paper presents a novel mathematical formulation for the short-term scheduling of batch plants. The proposed formulation is based on a continuous time representation and results in a mixed integer linear programming (MILP) problem. The novel elements of the proposed formulation are (i) the decoupling of the task events from the unit events, (ii) the time sequencing constraints, and (iii) its linearity. In contrast to the previously presented continuous-time scheduling formulations, the proposed approach leads to smaller and simpler mathematical models which exhibit fewer binary and continuous variables, have smaller integrality gaps, require fewer constraints, need fewer linear programming relaxations, and can be solved in significantly less CPU time. Several examples are presented that illustrate the effectiveness of the proposed formulation, and comparisons with other approaches are provided. [References: 14]},
\r
8631 keywords = {Parallel semicontinuous processes. General algorithm. Operations.
\r
8633 Chemical engineering.},
\r
8637 author = {Ierapetritou, M. G. and Floudas, C. A.},
\r
8638 title = {Effective Continuous-Time Formulation for Short-Term Scheduling - 2 - Continuous and Semicontinuous Processes},
\r
8639 journal = {Industrial and Engineering Chemistry Research},
\r
8642 pages = {4360-4374},
\r
8643 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
8644 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
8645 abstract = {Part 1 presented a novel continuous-time mathematical formulation for the short-term scheduling of batch processes. Most production networks, however, involve batch and continuous processes. On the basis of the same principles, this paper extends the proposed formulation to describe continuous processes. Two industrial case studies from fast moving consumer goods manufacturing are presented to illustrate the capability of the proposed formulation to describe plants with both batch and continuous processes, to incorporate cleanup requirements, and to consider storage requirements and limitations. It is demonstrated that the proposed approach outperforms all previously proposed continuous-time models for the short-term scheduling of continuous processes. [References: 12]},
\r
8646 keywords = {Plants.
\r
8647 Chemical engineering.},
\r
8651 author = {Ierapetritou, M. G. and Floudas, C. A.},
\r
8652 title = {Short-Term Scheduling - New Mathematical Models Vs Algorithmic Improvements},
\r
8653 journal = {Computers and Chemical Engineering},
\r
8655 number = {Suppl S},
\r
8656 pages = {S 419-S 426},
\r
8657 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
8658 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
8659 abstract = {In this paper, a novel formulation is presented for the short-term scheduling of batch plants. The proposed formulation is based on a continuous time representation and results in a Mixed Integer Linear Programming (MILP) problem. In contrast to the previously published continuous-time scheduling formulations, the proposed approach leads to smaller and simpler mathematical models which exhibit fewer binary and continuous variables, have smaller integrality gaps, require fewer constraints, need fewer linear programming relaxations, and can be solved in significantly less CPU time. Several examples are presented that illustrate the effectiveness of the proposed formulation and comparisons with other approaches are provided. (C) 1998 Elsevier Science Ltd. All rights reserved. [References: 12]},
\r
8660 keywords = {General algorithm. Batch-operations. Plants.
\r
8661 Chemical engineering.},
\r
8665 author = {Ierapetritou, M. G. and Floudas, C. A. and Vasantharajan, S. and Cullick, A. S.},
\r
8666 title = {Optimal location of vertical wells: Decomposition approach},
\r
8667 journal = {AICHE Journal},
\r
8670 pages = {844-859},
\r
8671 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
8672 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Mobil Technol Co, Strateg Res Ctr Dallas, TX 75244 USA 0014 AICHE J},
\r
8673 abstract = {The generation of a reservoir development plan with well locations, give a reservoir property map and a set of infrastructure constraints, represents a very challenging problem. The problem of selecting the optimal vertical well locations was formulated with 3-D information as a MILP problem where the binary variables correspond to the decisions of well locations and vertical well completions. A novel decomposition-based solution procedure is proposed to address real fields characterized by 60,000 grid points. The approach is based on the ideas of refining the feasible set of candidate well locations by applying quality cut constraints. For the solution of the subproblems required at each iteration, a model reformulation was then suggested that enables the efficient determination of the optimal well locations. Two industrial case studies are considered to illustrate the applicability of the proposed procedure to realistic large-scale problems. [References: 10] 10},
\r
8674 keywords = {Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
8677 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
8678 Princeton, NJ 08544, USA, .},
\r
8682 author = {Ierapetritou, M. G. and Hene, T. S. and Floudas, C. A.},
\r
8683 title = {Effective continuous-time formulation for short-term scheduling. 3. Multiple intermediate due dates},
\r
8684 journal = {Industrial and Engineering Chemistry Research},
\r
8687 pages = {3446-3461},
\r
8688 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
8689 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0033 Ind. Eng. Chem. Res},
\r
8690 abstract = {The problem of short-term scheduling often involves the satisfaction of variable product demands at specific due dates within the time horizon under consideration. Ierapetritou and Floudas (Ind. Eng. Chem. Res. 1998, 37, 4341-4359, 4360-4374) presented a new continuous time formulation to effectively address the problem of short-term scheduling in batch, continuous, and mixed production facilities where product demands are specified at the end of the time horizon. The primary objective of this paper is to extend the continuous-time formulation so as to deal with intermediate due dates. The mathematical model is developed and the operation mode of the plant (batch or semicontinuous) is further exploited to result in the most efficient solution strategy. Several examples are provided to illustrate the capabilities of the proposed continuous-time formulations, and it is demonstrated that a variety of problems presented in the literature can be addressed efficiently. [References: 7] 7},
\r
8691 keywords = {Semicontinuous processes.
\r
8692 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
8695 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
8696 Princeton, NJ 08544, USA, .},
\r
8700 author = {Ierapetritou, M. G. and Pistikopoulos, E. N. and Floudas, C. A.},
\r
8701 title = {Operational Planning under Uncertainty},
\r
8702 journal = {Computers and Chemical Engineering},
\r
8704 number = {Suppl S},
\r
8705 pages = {S 553-S 557},
\r
8706 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
8707 Reprint available from: Pistikopoulos EN IMPERIAL COLL SCI TECHNOL and MED DEPT CHEM ENGN CTR PROC SYST ENGN LONDON SW7 2BY ENGLAND IMPERIAL COLL SCI TECHNOL and MED DEPT CHEM ENGN CTR PROC SYST ENGN LONDON SW7 2BY ENGLAND 0090},
\r
8708 abstract = {This paper presents a novel approach for the incorporation of future plan feasibility and potential economic risk in planning problems under uncertainty. It is based on the concepts of plan flexibility and regret as measures of the impact of uncertainty on the future plan operation and economics. For two-period linear planning models, analytical expressions of flexibility and regret as functions of the uncertain parameters are obtained with which an optimal plan can be determined that maximizes an expected profit while ensuring operability and monitoring financial risk. An important feature of this new planning framework is that, in contrast to previous approaches, it neither requires discretization of the uncertainty nor is centered on worst-case considerations. An example is presented to illustrate the steps of the algorithmic procedure. [References: 16] 16},
\r
8709 keywords = {Planning. Uncertainty. Flexibility. Regret. Economic risk.
\r
8710 Decision flexibility. Design.
\r
8712 Reprint available from: Pistikopoulos EN. IMPERIAL COLL SCI TECHNOL and
\r
8713 MED, DEPT CHEM ENGN, CTR PROC SYST ENGN, LONDON SW7 2BY.},
\r
8717 author = {Ierapetritou, M. G. and Pistikopoulos, E. N. and Floudas, C. A.},
\r
8718 title = {Operational Planning under Uncertainty},
\r
8719 journal = {Computers and Chemical Engineering},
\r
8722 pages = {1499-1516},
\r
8723 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
8724 Reprint available from: Pistikopoulos EN UNIV LONDON IMPERIAL COLL SCI TECHNOL and MED DEPT CHEM ENGN and CHEM TECHNOL CTR PROC SYST ENGN LONDON SW7 2BY ENGLAND UNIV LONDON IMPERIAL COLL SCI TECHNOL and MED DEPT CHEM ENGN and CHEM TECHNOL CTR PROC SYST ENGN LONDON SW7 2BY ENGLAND PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0011},
\r
8725 abstract = {This paper is concerned with the problem of operational and production planning under varying conditions and changing economic circumstances. The effect of uncertainty on future plant operation is investigated via the incorporation of explicit future plan feasibility constraints into a two-stage stochastic programming formulation with an objective to maximize an expected profit over a time horizon, and the use of the Value of Perfect Information, VPI. This value, which is described as the difference between two alternative behavioural models of actions under uncertainty, the here-and-now and the wait-and-see models, is especially useful when a decision must be made in the face of uncertainty whether to expand capacities and/or to introduce new technologies. The importance of obtaining this information at the decision stage and properly integrating it with plan feasibility aspects is illustrated with a number of example problems. Copyright (C) 1996 Elsevier Science Ltd [References: 26] 26},
\r
8726 keywords = {Capacity expansion. Flexibility. Optimization. Recourse.
\r
8727 Decomposition. Programs. Bounds. Models. Design.
\r
8728 Chemical engineering.
\r
8729 Reprint available from: Pistikopoulos EN. UNIV LONDON IMPERIAL COLL SCI
\r
8730 TECHNOL and MED, DEPT CHEM ENGN and CHEM TECHNOL, CTR PROC SYST ENGN, LONDON
\r
8735 @techreport{Indiveri2008,
\r
8736 author = {Indiveri, G.},
\r
8737 title = {Notes on an Entropy-like Method for Robust Parameter Identifcation},
\r
8738 institution = {Jacobs University},
\r
8739 type = {Technical Report},
\r
8740 month = {July 2008},
\r
8741 abstract = {This reports describes the basic ideas behind a novel parameter identication
\r
8742 algorithm exhibiting high robustness with respect to outlying data. The algorithm
\r
8743 consists in minimizing an entropy-like cost function of the identication residuals.
\r
8744 Robustness to outliers is obtained as a consequence of the fact that the used cost
\r
8745 function rewards unevenly distributed residuals rather than some kind of weighted
\r
8746 mean square error (MSE). In particular residuals are normalized to the MSE and
\r
8747 the minimization of the devised entropy-like function rewards the presence of a
\r
8748 majority of low relative errors and a minority of large ones, rather than a least
\r
8749 MSE that tends to level out residuals hence often hiding outliers. A preliminary
\r
8750 theoretical analysis of the algorithm is reported together with experimental results
\r
8751 to demonstrate the method. This work builds on ideas initially elaborated in 1999
\r
8752 and extended only in the Summer of 2006 during a research visit at the IUB
\r
8757 @article{Iqbal1992_JSC,
\r
8758 author = {Iqbal, R.},
\r
8759 title = {A one-pass algorithm for shape-preserving quadratic spline interpolation},
\r
8760 journal = {J. Sci. Comput. },
\r
8762 pages = {359-376},
\r
8766 @article{Iqbal1992,
\r
8767 author = {Iqbal, Rafhat},
\r
8768 title = {A one-pass algorithm for shape-preserving quadratic spline interpolation},
\r
8769 journal = {J. Sci. Comput.},
\r
8772 pages = {359-376},
\r
8777 author = {Irpino, A. and Verde, R.},
\r
8778 title = {Dynamic clustering of interval data using a Wasserstein-based distance},
\r
8779 journal = {Pattern Recognition Letters},
\r
8782 pages = {1648-1658},
\r
8783 note = {doi: DOI: 10.1016/j.patrec.2008.04.008},
\r
8784 keywords = {Interval data
\r
8786 Wasserstein distance
\r
8791 @article{Sugeno1985_IJMMS,
\r
8792 author = {Ishii, K. and Sugeno, M.},
\r
8793 title = {A model of human evaluation process using fuzzy measure},
\r
8794 journal = {International Journal of Man-Machine Studies},
\r
8800 author = {Ishikawa, Takeo and Tsukui, Yusuke and Matsunami, Michio},
\r
8801 title = {A combined method for the global optimization using radial basis function and deterministic approach},
\r
8802 journal = {IEEE Transactions on Magnetics},
\r
8805 pages = {1730(4)},
\r
8806 abstract = {The present paper proposes a combined method for the global optimization of realistic engineering problems using radial basis functions and a deterministic approach. A die mold model for orientation of magnetic powder is optimized to show the effectiveness of the proposed method.
\r
8807 Index terms - Global optimization, radial basis function, sequential quadratic programming method},
\r
8808 keywords = {Mathematical optimization Technique
\r
8809 Quadratic programming Usage},
\r
8813 author = {Ishizuka, Y. and Fujiwara, M. and Kanazawa, K. and Nemoto, T. and Fujita, K. and H., Nakanishi},
\r
8814 title = {Three-dimensional structure of the inclusion complex between phloridzin and beta-cyclodextrin},
\r
8815 journal = {Carbohydrate Research},
\r
8818 pages = {1737-1743},
\r
8819 abstract = {The inclusion of phloridzin into beta-cyclodextrin was studied as a model of molecular recognition in membranes. Effects on H-1 NMR spectra and NOE correlational peaks between phloridzin and beta-cyclodextrin were observed in the complex. Strong NOEs were observed between hydrogens of a phenol group in phloridzin and beta-cyclodextrin. The three-dimensional structure of the inclusion complex between phloridzin and beta-cyclodextrin was simulated with distance constraints estimated by the intensity of NOE peaks using the DADAS90 programs. Two inclusion possibilities were suggested-the large rim of beta-cyclodextrin as an entrance of the inclusion and the small rim of beta-cyclodextrin as the entrance. In both cases, the phenol group of phloridzin was included in the hydrophobic space of beta-cyclodextrin.},
\r
8820 keywords = {journal
\r
8826 glucose cotransporter
\r
8827 molecular dynamics (MD)
\r
8828 alpha-cyclodextrin
\r
8831 sodium cation, Na+
\r
8838 author = {Jablonsky, M.J. and Jackson, P.L. and Krishna, N.R.},
\r
8839 title = {Solution structure of an insect-specific neurotoxin from the new worls scorpion Centruroides sculpturatus Ewing},
\r
8840 journal = {Biochemistry},
\r
8843 pages = {8273-8282},
\r
8844 keywords = {journal
\r
8845 molecular structure
\r
8846 nuclear magnetic resonance (NMR)
\r
8847 nuclear Overhauser effect spectroscopy (NOESY)
\r
8848 nuclear Overhauser effect (NOE)
\r
8853 @article{Jackson1921,
\r
8854 author = {Jackson, D.},
\r
8855 title = {Note on the median of a set of numbers},
\r
8856 journal = {Bulletin of the Americam Math. Soc.},
\r
8858 pages = {160-164},
\r
8862 @article{Jacobs2000,
\r
8863 author = {Jacobs, D. W. and Weinshall, D. and Gdalyahu, Y.},
\r
8864 title = {Classification with nonmetric distances: image retrieval and class representation},
\r
8865 journal = {IEEE Transactions on Pattern Analysis and Machine Intelligence},
\r
8868 pages = {583-600},
\r
8869 keywords = {correlation methods
\r
8870 image classification
\r
8871 image representation
\r
8873 learning by example
\r
8874 appearance-based vision
\r
8877 class representation
\r
8878 exemplar-based methods
\r
8879 nearest-neighbor methods
\r
8880 nonmetric dataspaces
\r
8881 nonmetric distances
\r
8882 nonmetric similarity functions
\r
8883 nonmetric similarity judgments
\r
8884 robust image matching methods
\r
8885 triangle inequality
\r
8886 vector correlation},
\r
8890 @book{Jacoby_book,
\r
8891 author = {Jacoby, S.L.S and Kowalik, J.S. and Pizzo, J.T.},
\r
8892 title = {Iterative Methods for Nonlinear Optimization },
\r
8893 publisher = {Prentice Hall},
\r
8894 address = {Englewood Cliffs, N.J . },
\r
8898 @article{Jaeckel1972_AMS,
\r
8899 author = {Jaeckel, L.A.},
\r
8900 title = {Estimating regression coefficients by minimizing the dispersion of the residuals},
\r
8901 journal = {Annals of Math. Statistics},
\r
8903 pages = {1449-1458},
\r
8907 @article{Jain1999_ACM,
\r
8908 author = {Jain, A.K. and Murty, M.N. and Flynn, P.J.},
\r
8909 title = {Data Clustering: A Review},
\r
8910 journal = {ACM Computing Surveys},
\r
8912 pages = {264-323},
\r
8916 author = {Jain, P. and Agogino, A. M.},
\r
8917 title = {Global optimization using the multistart method},
\r
8918 journal = {Journal of Mechanical Design},
\r
8921 pages = {p770(6)},
\r
8922 abstract = {Multistart is a stochastic global optimization method for finding the global optimum of highly nonlinear mechanical problems. In this paper we introduce and develop a variant of the multistart method in which a fraction of the sample points in the feasible region with smallest function value are clustered using the Vector Quantization technique. The theories of lattices and sphere packing are used to define optimal lattices. These lattices are optimal with respect to quantization error and are used as code points for vector quantization. The implementation of these ideas has resulted in the VQ-multistart algorithm for finding the global optimum with substantial reductions in both the incore memory requirements and the computation time. We solve several mathematical test problems and a mechanical optimal design problem using the VQ-multistart algorithm.},
\r
8923 keywords = {Structural optimization Technique
\r
8924 Mathematical optimization Technique},
\r
8928 @article{Jajo2005,
\r
8929 author = {Jajo, N.K.},
\r
8930 title = {A review of robust regression and diagnostic procedures in linear regression (in Chinese)},
\r
8931 journal = {Acta Math. Appl. Sin. Engl. Ser.},
\r
8934 pages = {209--224},
\r
8938 author = {Jalaie, M. and Lipkowitz, K.B.},
\r
8939 title = {Published force field parameters for molecular mechanics, molecular dynamics, and Monte Carlo simulations},
\r
8940 booktitle = {Reviews in Computational Chemistry},
\r
8941 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
8942 publisher = {Wiley-VCH},
\r
8943 address = {New York},
\r
8945 pages = {441-486},
\r
8946 keywords = {potential energy surface (PES)
\r
8947 molecular dynamics (MD)
\r
8948 molecular mechanics (MM)
\r
8949 molecular modelling
\r
8951 valence force field
\r
8952 empirical force field (EFF)
\r
8953 Monte Carlo (MC)},
\r
8957 author = {James, T.L. and Schmitz, U. and Dötsch, V.},
\r
8958 title = {Nuclear Magnetic Resonance of Biological Macromolecules, Part A},
\r
8959 publisher = {Academic Press},
\r
8960 address = {San Diego},
\r
8962 series = {Methods in Enzymology},
\r
8963 note = {General techniques
\r
8964 Nucleic acids and carbohydrates},
\r
8965 keywords = {nuclear magnetic resonance (NMR)
\r
8973 author = {James, T.L. and Schmitz, U. and Dötsch, V.},
\r
8974 title = {Nuclear Magnetic Resonance of Biological Macromolecules, Part B},
\r
8975 publisher = {Academic Press},
\r
8976 address = {San Diego},
\r
8978 series = {Methods in Enzymology},
\r
8979 note = {pt. B. Proteins: Techniques for proteins
\r
8980 Classes of proteins
\r
8981 Macromolecular complexes},
\r
8982 keywords = {nuclear magnetic resonance (NMR)
\r
8990 @article{Jenei1998_fssa,
\r
8991 author = {Jenei, S.},
\r
8992 title = {On Archimedian triangular norms},
\r
8993 journal = {Fuzzy Sets and Systems},
\r
8995 pages = {179-186},
\r
8999 @article{Jenei1999_FSS,
\r
9000 author = {Jenei, S. and De Baets, B.},
\r
9001 title = {On the direct decomposability of t-norms on product lattices},
\r
9002 journal = {Fuzzy Sets and Systems},
\r
9004 pages = {699-707},
\r
9005 note = {doi: DOI: 10.1016/S0165-0114(03)00125-8},
\r
9006 keywords = {Partially ordered monoid
\r
9008 Residuated lattice
\r
9013 @article{Jenei1998_fss,
\r
9014 author = {Jenei, S. and Fodor, J.},
\r
9015 title = {On continuous triangular norms},
\r
9016 journal = {Fuzzy Sets and Systems},
\r
9018 pages = {273-282},
\r
9022 @article{Jenei1999_FSS,
\r
9023 author = {Jenei, S. and Pap, E.},
\r
9024 title = {Smoothly generated {A}rchimedean approximation of continuous triangular norm},
\r
9025 journal = {Fuzzy Sets and Systems},
\r
9031 @inproceedings{Jeng2011,
\r
9032 author = {Jeng, J.-T. and Chuang, C-T. and Chuang, C.-C.},
\r
9033 title = {Least trimmed squares based CPBUM neural networks},
\r
9034 booktitle = {International Conference on System Science and Engineering},
\r
9035 publisher = {IEEE},
\r
9036 pages = {187-192},
\r
9037 keywords = {Chebyshev approximation
\r
9039 learning (artificial intelligence)
\r
9040 least squares approximations
\r
9042 polynomial approximation
\r
9043 Chebyshev polynomial functional link network
\r
9044 LTS computational architecture
\r
9046 gradient-descent algorithm
\r
9047 learning algorithm
\r
9048 least trimmed square based CPBUM neural networks
\r
9052 training data set},
\r
9056 author = {Jensen, F.},
\r
9057 title = {Introduction to Computational Chemistry},
\r
9058 publisher = {John Wiley and Sons},
\r
9059 address = {Chichester (UK)},
\r
9061 ab initio quantum calculations
\r
9062 classical trajectory (CT)
\r
9063 computer-aided instruction (CAI)
\r
9064 density-functional theory (DFT)
\r
9067 molecular mechanics (MM)
\r
9068 molecular modelling
\r
9069 molecular orbital (MO) theory
\r
9070 potential energy surface (PES)
\r
9072 self-consistent field (SCF)
\r
9073 semiempirical theory
\r
9076 transition state theory (TST)},
\r
9080 author = {Jones, D. R. and Perttunen, C. D. and Stuckman, B. E.},
\r
9081 title = {Lipschitzian Optimization without the Lipschitz Constant},
\r
9082 journal = {Journal of Optimization Theory and Applications},
\r
9085 pages = {157-181},
\r
9086 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
9087 Reprint available from: Jones DR GM CORP CTR RES and DEV WARREN, MI 48090 USA BROOKS and KUSHMAN DEPT PATENT and COMP LAW SOUTHFIELD, MI USA 0009},
\r
9088 abstract = {We present a new algorithm for finding the global minimum of a multivariate function subject to simple bounds. The algorithm is a modification of the standard Lipschitzian approach that eliminates the need to specify a Lipschitz constant. This is done by carrying out simultaneous searches using all possible constants from zero to infinity. On nine standard test functions, the new algorithm converges in fewer function evaluations than most competing methods. The motivation for the new algorithm stems from a different way of looking at the Lipschitz constant. In particular, the Lipschitz constant is viewed as a weighting parameter that indicates how much emphasis to place on global versus local search. In standard Lipschitzian methods, this constant is usually large because it must equal or exceed the maximum rate of change of the objective function. As a result, these methods place a high emphasis on global search and exhibit slow convergence. In contrast, the new algorithm carries out simultaneous searches using all possible constants, and therefore operates at both the global and local level. Once the global part of the algorithm finds the basin of convergence of the optimum, the local part of the algorithm quickly and automatically exploits it. This accounts for the fast convergence of the new algorithm on the test functions. [References: 16] 16},
\r
9089 keywords = {Global optimization. Lipschitzian optimization. Space covering. Space
\r
9091 Global optimization. Algorithm. Minimization. Maximum.
\r
9093 Reprint available from: Jones DR. GM CORP, CTR RES and DEV, WARREN, MI
\r
9098 author = {Jones, D.T.},
\r
9099 title = {A practical guide to protein structure prediction},
\r
9100 booktitle = {Protein Structure Prediction: Methods and Protocols},
\r
9101 editor = {Webster, D.M.},
\r
9102 publisher = {Humana},
\r
9103 address = {Totowa (NJ)},
\r
9104 pages = {131-154},
\r
9105 keywords = {protein
\r
9107 molecular modelling
\r
9112 author = {Juan, A. and Ferrer, A. and Serrat, C. and Faulin, J. and Beliakov, G. and Hester, J.},
\r
9113 title = {Potential Applications of Discrete-Event Simulation and Fuzzy Rule-Based Systems to Structural Reliability and Availability},
\r
9114 booktitle = {Simulation Methods for Reliability and Availability of Complex Systems },
\r
9115 editor = {Faulin, J.; Juan, A.; Martorell, S.; Ramirez-Marquez, E.},
\r
9116 publisher = {Springer},
\r
9117 address = {Heidelberg, New York},
\r
9121 @article{Jupp_1978,
\r
9122 author = {Jupp, D. L. B.},
\r
9123 title = {Approximation to data by splines with free knots},
\r
9124 journal = {SIAM J. Numer. Anal.},
\r
9126 pages = {328-343},
\r
9130 @incollection{Jurio2012_inbook,
\r
9131 author = {Jurio, Aranzazu and Pagola, Miguel and Bustince, Humberto and Beliakov, Gleb},
\r
9132 title = {Color Image Magnification with Interval-Valued Fuzzy Sets},
\r
9133 booktitle = {Advances in Intelligent and Soft Computing},
\r
9134 editor = {Melo-Pinto, Pedro and Couto, Pedro and Serôdio, Carlos and Fodor, János and De Baets, Bernard},
\r
9135 series = {Advances in Intelligent and Soft Computing},
\r
9136 publisher = {Springer },
\r
9137 address = {Berlin / Heidelberg},
\r
9139 pages = {313-324},
\r
9143 @article{Jurio2012_TIP,
\r
9144 author = {Jurio, A. and Pagola, M. and Mesiar, R. and Beliakov, G. and Bustince, H.},
\r
9145 title = {Image Magnification Using Interval Information},
\r
9146 journal = {IEEE Trans. on Image Processing},
\r
9148 pages = {3112-3123},
\r
9152 @inproceedings{PaternainIEEE_IS_2010,
\r
9153 author = {Jurio, A. and Paternain, D. and Bustince, H. and Guerra, C. and Beliakov, G.},
\r
9154 title = {A construction method of Atanassov's intuitionistic fuzzy sets for image processing},
\r
9155 booktitle = {5th IEEE International Conference on Intelligent Systems},
\r
9156 address = {Paris},
\r
9157 publisher = {IEEE},
\r
9158 pages = {337-342},
\r
9159 keywords = {fuzzy set theory
\r
9161 Atanassov intuitionistic fuzzy sets
\r
9162 image magnification algorithm},
\r
9166 author = {Jurio, A. and Paternain, D. and Bustince, H. and Guerra, C. and Beliakov, G.},
\r
9167 title = {A construction method of Atanassov's intuitionistic fuzzy sets for image processing},
\r
9168 booktitle = {Intelligent Systems (IS), 2010 5th IEEE International Conference},
\r
9169 pages = {337-342},
\r
9170 keywords = {fuzzy set theory
\r
9172 Atanassov intuitionistic fuzzy sets
\r
9173 image magnification algorithm},
\r
9177 author = {Jurio, A. and Paternain, D. and Lopez-Molina, C. and Bustince, H. and Mesiar, R. and Beliakov, G.},
\r
9178 title = {A construction method of interval-valued Fuzzy Sets for image processing},
\r
9179 booktitle = {Advances in Type-2 Fuzzy Logic Systems (T2FUZZ), 2011 IEEE Symposium on},
\r
9181 keywords = {fuzzy set theory
\r
9184 construction method
\r
9185 image magnification algorithm
\r
9186 interval-valued fuzzy sets},
\r
9190 @misc{JurioIEEESS_2011,
\r
9191 author = {Jurio, A. and Paternain, D. and Lopez-Molina, C. and Mesiar, R. and Beliakov, G. and Bustince, H.},
\r
9192 title = {A construction method of Interval-Valued Fuzzy Sets for image processing},
\r
9193 publisher = {IEEE},
\r
9194 volume = {in press},
\r
9198 author = {Jurs, P.C.},
\r
9199 title = {Chemometrics and multivariate analysis in analytical chemistry},
\r
9200 booktitle = {Reviews in Computational Chemistry},
\r
9201 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
9202 publisher = {VCH Publishers},
\r
9203 address = {New York},
\r
9205 pages = {169-212},
\r
9206 keywords = {standard review
\r
9211 author = {Juttler, B.},
\r
9212 title = {Surface fitting using convex tensor-product splines},
\r
9213 journal = {J. Comp. Appl. Math.},
\r
9219 author = {Kamath, S. and Colby, R. H. and Kumar, S. K. and Karatasos, K. and Floudas, G. and Fytas, G. and Roovers, J. E. L.},
\r
9220 title = {Segmental dynamics of miscible polymer blends: Comparison of the predictions of a concentration fluctuation model to experiment},
\r
9221 journal = {Journal of Chemical Physics},
\r
9224 pages = {6121-6128},
\r
9225 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9226 Reprint available from: Kumar SK Penn State Univ, Dept Mat Sci and Engn University Pk, PA 16802 USA Penn State Univ, Dept Mat Sci and Engn University Pk, PA 16802 USA Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Natl Res Council Canada, Inst Environm Chem Ottawa ON K1A 0R6 Canada 0052 J. Chem. Phys},
\r
9227 abstract = {We recently proposed a concentration fluctuation model to describe the segmental dynamics of miscible polymer blends [Kumar , J. Chem. Phys. 105, 3777 (1996)]. This model assumes the existence of a cooperative volume, similar to that in the Adam-Gibbs picture of the glass transition, over which segments have to reorganize in a concerted fashion to facilitate stress relaxation. No molecular theory exists for the cooperative volume. Consequently, here we critically compare two alternative functional dependences for this quantity in the context of the segmental dynamics of the most extensively studied miscible polymer blend, 1,4-polyisoprene (PI) and polyvinylethylene (PVE): (a) The Donth model, which assumes the Vogel form for the temperature dependence of relaxation processes, with a relaxation time that diverges at the Vogel temperature, roughly 50 K below the glass transition, and (b) a more recent dynamic scaling model that predicts the relaxation time diverges algebraically, only about 10 K below the glass transition. We find that the dynamic scaling model provides a near-quantitative description of the segmental relaxation in PI/PVE blends. In contrast, the Donth model predicts that the relaxation time spectrum for PI, the faster relaxing component, is bimodal, in qualitative disagreement with NMR experiments and our dielectric measurements reported here. Our results therefore emphasize two findings. First, our model can describe the segmental relaxations of the components of a polymer blend in a near-quantitative manner. Second, and more fundamentally, it appears that the dynamic scaling model describes segmental dynamics of polymers near their glass transition. (C) 1999 American Institute of Physics. [S0021-9606(99)52137-5]. [References: 31] 31},
\r
9228 keywords = {Dielectric alpha-relaxation. Component dynamics. 1,2-polybutadiene.
\r
9230 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
9231 Chemical and Earth Sciences.
\r
9233 Reprint available from: Kumar SK. Penn State Univ, Dept Mat Sci and Engn,
\r
9234 University Pk, PA 16802, USA, .},
\r
9238 @inproceedings{Kang1997,
\r
9239 author = {Kang, I. and Kim, T. and Li, K},
\r
9240 title = {A Spatial Data Mining Method by Dealunay Triangulation},
\r
9241 booktitle = {5th ACM Intl. Workshop on Advances in Geographic Inf. Sys.},
\r
9242 address = {Las Vegas, USA},
\r
9243 publisher = {ACM Press},
\r
9248 author = {Kapantaidakis, G. C. and Kaldis, S. P. and Sakellaropoulos, G. P. and Chira, E. and Loppinet, B. and Floudas, G.},
\r
9249 title = {Interrelation between phase state and gas permeation in polysulfone/polyimide blend membranes},
\r
9250 journal = {Journal of Polymer Science Part B-Polymer Physics},
\r
9253 pages = {2788-2798},
\r
9254 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9255 Reprint available from: Floudas G Fdn Res and Technol Hellas, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Crete Greece Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Aristotelian Univ Salonika GR-54006 Salonika Greece Chem Proc Engn Inst Salonika 54006 Greece 0008 J. Polym. Sci. Pt. B-Polym. Phys},
\r
9256 abstract = {The phase state of polysulfone/polyimide (PSF/PI) blends has been studied by differential scanning calorimetry, rheology, and X-ray scattering. The blends rich in PSF form miscible blends when prepared by solution casting from a common solvent. In these PSF-rich blends, the single dynamic process in rheology shifts and broadens, with composition reflecting the change in local friction and the enhancement of concentration fluctuations, respectively. Heating to temperatures above the glass transition temperature results in phase separation into PSF- and PI-rich domains. An apparent phase diagram has been constructed, and helium permeability has been measured in different regimes corresponding to miscible, partially miscible, and completely phase-separated states. We find that one component (PI) controls the permeability values and activation energies for helium permeation in the blends. Gas permeation is found to he very sensitive to local concentration fluctuations and thus can be used as a probe of the phase state in polymer blends. (C) 1999 John Wiley and Sons, Inc. [References: 39] 39},
\r
9257 keywords = {Polymer blends. Phase state. Gas permeation.
\r
9258 Transport properties. Separation membranes. Polyimide membranes.
\r
9259 Aromatic polyimides. Polymer membranes. Permeability. Methacrylate).
\r
9260 Fluctuations. Relaxation. Sorption.
\r
9261 Organic Chemistry/Polymer Science in Current Contents(R)/Physical,
\r
9262 Chemical and Earth Sciences.
\r
9264 Reprint available from: Floudas G. Fdn Res and Technol Hellas, Inst Elect
\r
9265 Struct and Laser, POB 1527, Heraklion 71110, Crete.},
\r
9269 author = {Karatasos, K. and Anastasiadis, S. H. and Floudas, G. and Fytas, G. and Pispas, S. and Hadjichristidis, N. and Pakula, T.},
\r
9270 title = {Composition Fluctuation Effects on Dielectric Normal-Mode Relaxation in Diblock Copolymers .2. Disordered State in Proximity to the Odt and Ordered State},
\r
9271 journal = {Macromolecules},
\r
9274 pages = {1326-1336},
\r
9275 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
9276 Reprint available from: Anastasiadis SH FDN RES and TECHNOL HELLAS INST ELECTR STRUCT and LASER POB 1527 GR-71110 IRAKLION GREECE FDN RES and TECHNOL HELLAS INST ELECTR STRUCT and LASER GR-71110 IRAKLION GREECE UNIV ATHENS DEPT CHEM GR-15701 ZOGRAFOS GREECE MAX PLANCK INST POLYMER RES D-55021 MAINZ GERMANY 0035},
\r
9277 abstract = {Dielectric relaxation spectroscopy has been used to investigate the block end-to-end vector relaxation in symmetric poly(styrene-b-1,4-isoprene) diblock copolymers both in the ordered state and in the disordered state close to the disorder-to-order transition (ODT). Evidence is presented of two new types of dielectrically active chain relaxations by approaching the ODT from the disordered state and in the ordered state. In the ordered state and besides the usual isoprene subchain overall orientation, a new block relaxation process appears with slow dynamics and amplitude that depends on the sample preparation. The slow process is related to the coherently ordered microstructure and is attributed to the relaxation of the conformal interfaces formed in the ordered state; this assignment is supported by computer simulation results. In the disordered state, a bifurcation of the single dielectric relaxation is observed; the total amplitude increases as the temperature approaches the ODT, whereas the high-frequency process shows an apparent weak temperature dependence. The fast process may be related to polyisoprene subchains that feel higher polyisoprene concentrations near the ODT, whereas the slow relaxation mode can be attributed to the induced orientation correlations near and above the ODT, as supported also by computer simulations. [References: 91] 91},
\r
9278 keywords = {Microphase-separation transition. Random-phase approximation. Condensed
\r
9279 macromolecular systems. Domain-boundary structure. Block-copolymer.
\r
9280 Cis-polyisoprene. Monte-carlo. Mutual diffusion. Self-diffusion.
\r
9281 Cooperative relaxations.
\r
9282 Organic chemistry/polymer science.
\r
9283 Reprint available from: Anastasiadis SH. FDN RES and TECHNOL HELLAS, INST
\r
9284 ELECTR STRUCT and LASER, POB 1527, GR-71110 IRAKLION.},
\r
9288 author = {Kasabov, N},
\r
9289 title = {Foundations of Neural Networks, Fuzzy Systems and Knowledge Engineering},
\r
9290 publisher = {The MIT Press},
\r
9294 @inproceedings{Kaymak1994_IEEEFUZZY,
\r
9295 author = {Kaymak, U. and van Nauta Lemke, H.R.},
\r
9296 title = {Selecting an Aggregation Operator For Fuzzy Decision Making},
\r
9297 booktitle = {3rd IEEE Intl. Conf. on Fuzzy Systems},
\r
9299 pages = {1418-1422},
\r
9303 @article{Kearsley_2006,
\r
9304 author = {Kearsley, A. J.},
\r
9305 title = {Projections Onto Order Simplexes and Isotonic Regression},
\r
9306 journal = {J. Res. Natl. Inst. Stand. Technol.},
\r
9308 pages = {121-125},
\r
9312 @article{Kelley1960_siam,
\r
9313 author = {Kelley, J. E.},
\r
9314 title = {The cutting-plane method for solving convex programs},
\r
9315 journal = {J. of SIAM},
\r
9317 pages = {703-712},
\r
9321 author = {King, M. and Beliakov, G.},
\r
9322 title = {New data induced metric for density based clustering},
\r
9323 booktitle = {6th Intl. Conf. Optimization Techniques and Applications},
\r
9324 editor = {Rubinov, A.},
\r
9325 address = {Ballarat},
\r
9329 author = {Kiwiel, K.C.},
\r
9330 title = {Methods of Descent for Nondifferentiable Optimization},
\r
9331 publisher = {Springer Verlag},
\r
9332 address = {Berlin},
\r
9336 @book{Kiwiel1985_book,
\r
9337 author = {Kiwiel, K.C.},
\r
9338 title = {Methods of Descent of Nondifferentiable Optimization},
\r
9339 publisher = {Springer},
\r
9340 address = {Berlin},
\r
9342 series = {Lecture Notes in Mathematics},
\r
9346 author = {Klement, E.P.},
\r
9347 title = {Construction of fuzzy $\sigma$--algebras using triangular norms},
\r
9348 journal = {J. Math. Anal. Appl.},
\r
9349 pages = {543--566},
\r
9353 @article{Klement2005_Kyb,
\r
9354 author = {Klement, E.P. and Kolesarova, A.},
\r
9355 title = {Extension to copulas and quasi-copulas as special 1-Lipschitz aggregation operators},
\r
9356 journal = {Kybernetica},
\r
9358 pages = {329-348},
\r
9362 @book{Klement2005_book,
\r
9363 author = {Klement, E.P. and Mesiar, R.},
\r
9364 title = {Logical, Algebraic, Analytic, and Probabilistic Aspects of Triangular Norms},
\r
9365 publisher = {Elsevier},
\r
9366 address = {New York},
\r
9370 author = {Klement, E.P. and Mesiar, R. and Pap, E.},
\r
9371 title = {On the relationship of associative compensatory operators to triangular norms and conorms},
\r
9372 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
9374 pages = {129--144},
\r
9378 @article{Klement1996_ijufks,
\r
9379 author = {Klement, E.P. and Mesiar, R. and Pap, E.},
\r
9380 title = {On the relationship of associative compensatory operators to triangular norms and conorms},
\r
9381 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
9383 pages = {129-144},
\r
9387 @book{Klement2000_book,
\r
9388 author = {Klement, E.P. and Mesiar, R. and Pap, E.},
\r
9389 title = {Triangular Norms},
\r
9390 publisher = {Kluwer},
\r
9391 address = {Dordrecht},
\r
9395 @incollection{KMP2003_volume,
\r
9396 author = {Klement, E.P. and Mesiar, R. and Pap, E.},
\r
9397 title = {Triangular norms: Basic notions and properties},
\r
9398 editor = {Klement, E.P. and Mesiar, R. and Pap, E.},
\r
9399 pages = {this volume},
\r
9403 author = {Klepeis, J. L. and Androulakis, I. P. and Ierapetritou, M. G. and Floudas, C. A.},
\r
9404 title = {Predicting Solvated Peptide Conformations Via Global Minimization of Energetic Atom-to-Atom Interactions},
\r
9405 journal = {Computers and Chemical Engineering},
\r
9408 pages = {765-788},
\r
9409 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
9410 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
9411 abstract = {A global optimization method is described for identifying the global minimum energy conformation, as well as lower and upper bounds on the global minimum conformer of solvated peptides. Potential energy contributions are calculated using the ECEPP/3 force field model. In considering the effects of hydration, two implicit free energy models are compared. One method is based an the calculation of solvent-accessible surface areas, while the other uses information on the solvent-accessible volume of hydration shells. Detailed information on the potential and salvation energy contributions is presented for the terminally blocked single.residue peptides. In addition, based on a procedure that allows the exclusion of domains of the (phi, psi) space, a number of oligopeptide structure prediction problems are considered, and the role of the solvation model in defining global minimum conformations is addressed. (C) 1998 Elsevier Science Ltd. All rights reserved. [References: 57]},
\r
9412 keywords = {Protein folding. Solvation. Global optimization.
\r
9413 Pancreatic trypsin-inhibitor. Hydrogen-bond interactions. Occurring
\r
9414 amino-acids. Nonbonded interactions. Surface-area. Force-field.
\r
9415 Intermolecular potentials. Packing configurations. Geometrical
\r
9416 parameters. Optimization approach.
\r
9417 Chemical engineering.},
\r
9421 author = {Klepeis, J. L. and Floudas, C. A.},
\r
9422 title = {Comparative study of global minimum energy conformations of hydrated peptides},
\r
9423 journal = {Journal of Computational Chemistry},
\r
9426 pages = {636-654},
\r
9427 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9428 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0010 J. Comput. Chem},
\r
9429 abstract = {A global optimization method is described for identifying the global minimum energy conformation, as well as lower and upper bounds on the global minimum conformer of solvated peptides. Ln considering the effects of hydration, two independent continuum-based solvation models are employed. The first method is based on the calculation of solvent-accessible surface areas, whereas the second method uses information on the solvent-accessible volume of hydration shells. The hydration effects predicted by the area- and volume-based models, using a variety of atomic solvation parameter (ASP) sets, are tested and compared by identifying global minimum energy structures of terminally blocked peptides and oligopeptides. Significant differences are observed, indicating that appropriate model selection is essential for accurately predicting hydrated peptide structures. Using this information, the applicability of these hydration models and ASP sets is discussed. (C) 1999 John Wiley and Sons, Inc. [References: 56] 56},
\r
9430 keywords = {Protein folding. Solvation. Global optimization. Met-enkephalin.
\r
9432 Differentiable constrained nlps. Accessible surface-areas. Solvation
\r
9433 free-energies. Optimization method. Solute molecules. Shell-model.
\r
9434 Alpha-bb. Protein-structure. Organic-molecules. Aqueous-solution.
\r
9435 Chemistry in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9437 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
9438 Princeton, NJ 08544, USA, .},
\r
9442 author = {Klepeis, J. L. and Floudas, C. A.},
\r
9443 title = {Free energy calculations for peptides via deterministic global optimization},
\r
9444 journal = {Journal of Chemical Physics},
\r
9447 pages = {7491-7512},
\r
9448 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9449 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0045 J. Chem. Phys},
\r
9450 abstract = {The alpha BB algorithm is a deterministically based global optimization method that has been successfully used to locate the global minimum energy conformations of peptide systems. The goal of this procedure is to identify the native conformation of a given peptide by identifying the structure possessing the global minimum potential energy. However, a rigorous conformational search should locate the structure exhibiting the global minimum free energy. In this work, novel methods are developed for locating free energy global minimum conformations and clusters of peptides. These methods are based on an harmonic approximation for entropic effects, which requires the ability to generate a dense ensemble of distinct low energy local minima. Two approaches, both based on the general concepts of the aBB branch and bound framework, are used to generate these ensembles. In performing these calculations, potential-energy contributions were modeled using an all-atom force field. In addition, hydration effects were also considered by utilizing a solvent-accessible volume of hydration shell model. The free energy analysis was applied to both the unsolvated and solvated forms of met- and leu-enkephalin. It was found that both methods produce dense, Boltzmann-type, distributions of low-energy metastable states. The inclusion of entropic effects was also found to influence the prediction of free energy global minima. In addition, a statistical treatment of the thermodynamics of folding showed that the transition temperature, which signified a collapse from high energy, extended structures to a ground-statelike ensemble, could be identified. (C) 1999 American Institute of Physics. [S0021-9606(99)51515-8]. [References: 51] 51},
\r
9451 keywords = {Hydration shell-model. Differentiable constrained nlps. Hydrogen-bond
\r
9452 interactions. Occurring amino-acids. Solute molecules. Alpha-bb.
\r
9453 Nonbonded interactions. Force-field. Intermolecular potentials.
\r
9454 Packing configurations.
\r
9455 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
9456 Chemical and Earth Sciences.
\r
9458 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
9459 Princeton, NJ 08544, USA, .},
\r
9463 author = {Klepeis, J. L. and Floudas, C. A.},
\r
9464 title = {Deterministic global optimization and torsion angle dynamics for molecular structure prediction},
\r
9465 journal = {Computers and Chemical Engineering},
\r
9468 pages = {1761-1766},
\r
9469 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
9470 Reprint available from: Floudas CA Princeton Univ, Sch Engn Appl Sci, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Sch Engn Appl Sci, Dept Chem Engn Princeton, NJ 08544 USA 0235 Comput. Chem. Eng},
\r
9471 abstract = {The problem of protein folding has become the subject of intense theoretical and experimental study over the past few decades. This work presents a new method for protein structure prediction using distance and dihedral angle restraints derived from NMR data. Both the formulation and solution approach differ substantially from traditional molecular structure prediction techniques. The traditional formulation is recast as a constrained global optimization problem whose solution is obtained through the use of the alpha BB algorithm, a deterministic global optimization approach suitable for nonconvex constrained problems. To enhance the efficiency of this method, torsion angle dynamics is introduced as an integral part of the solution approach. The proposed algorithm is tested on the Compstatin structure prediction problem. (C) 2000 Elsevier Science Ltd. All rights reserved. [References: 20] 20},
\r
9472 keywords = {Global optimization. Torsion angle dynamics. Molecular structure
\r
9474 Differentiable constrained nlps. Alpha-bb. Structure refinement. Nmr
\r
9475 data. Conformations. Algorithm. Simulation. Complement.
\r
9476 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
9479 Reprint available from: Floudas CA. Princeton Univ, Sch Engn Appl Sci,
\r
9480 Dept Chem Engn, Princeton, NJ 08544, USA, .},
\r
9484 author = {Klepeis, J. L. and Floudas, C. A. and Morikis, D. and Lambris, J. D.},
\r
9485 title = {Predicting peptide structures using NMR data and deterministic global optimization},
\r
9486 journal = {Journal of Computational Chemistry},
\r
9489 pages = {1354-1370},
\r
9490 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9491 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Univ Calif San Diego, Dept Chem and Biochem La Jolla, CA 92093 USA Univ Penn, Dept Pathol and Lab Med Philadelphia, PA 19104 USA 0003 J. Comput. Chem},
\r
9492 abstract = {The ability to analyze large molecular structures by NMR techniques requires efficient methods for structure calculation. Currently, there are several widely available methods for tackling these problems, which, in general, rely on the optimization of penalty-type target functions to satisfy the conformational restraints. Typically, these methods combine simulated annealing protocols with molecular dynamics and local minimization, either in distance or torsional angle space. In this work, both a novel formulation and algorithmic procedure for the solution of the NMR structure prediction problem is outlined. First, the unconstrained, penalty-type structure prediction problem is reformulated using nonlinear constraints, which can be individually enumerated for all, or subsets, of the distance restraints. In this way, the violation can be controlled as a constraint, in contrast to the usual penalty-type restraints. In addition, the customary simplified objective function is replaced by a full atom force field in the torsional angle space. This guarantees a better description of atomic interactions, which dictate the native structure of the molecule along with the distance restraints. The second novel portion of this work involves the solution method. Rather than pursue the typical simulated annealing procedure, this work relies on a deterministic method, which theoretically guarantees that the global solution can be located. This branch and bound technique, based on the alpha BB algorithm, has already been successfully applied to the identification of global minimum energy structures of peptides modeled by full atom force fields. Finally, the approach is applied to the Compstatin structure prediction, and it is found to possess some important merits when compared to existing techniques. (C) 1999 John Wiley and Sons, Inc. [References: 31] 31},
\r
9493 keywords = {Global optimization. Structure calculation. Nmr. Compstatin.
\r
9494 Complement inhibitor.
\r
9495 Differentiable constrained nlps. Torsion angle dynamics. Alpha-bb.
\r
9496 Conformations. Design. Complement. Algorithm.
\r
9497 Chemistry in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9499 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
9500 Princeton, NJ 08544, USA, .},
\r
9504 @article{Klepeis1998_compchem,
\r
9505 author = {Klepeis, J. L. and Ierapetritou, M. G. and Floudas, C. A.},
\r
9506 title = {Protein Folding and Peptide Docking - a Molecular Modeling and Global Optimization Approach},
\r
9507 journal = {Computers and Chemical Engineering},
\r
9509 number = {Suppl S},
\r
9510 pages = {S 3-S 10},
\r
9511 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
9512 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
9513 abstract = {Global optimization approaches are proposed for addressing both the protein folding and peptide docking problems. In the protein folding problem, the ultimate goal involves predicting the native protein conformation. A common approach,based on the thermodynamic hypothesis, assumes that this conformation corresponds to the structure exhibiting the global minimum free energy. However, molecular modeling of these systems results in highly nonconvex energy hypersurfaces. In order to locate the global minimum energy structure on this surface, a powerful global optimization method, alpha BB, is applied. The approach is shown to be extremely effective in locating global minimum energy structures of solvated oligopeptides. A challenging problem related to protein folding is peptide docking. In addressing the peptide docking problem, the task is not only to predict a macromolecular-ligand structure but to also rank the binding; affinities of a set of potential ligands. Many methods have used qualitative descriptions of the macromolecular-ligand complexes in order to avoid the need to perform a global search on the nonconvex energy hypersurface. In this work, a novel decomposition based approach that incorporates quantitative, atomistic-level energy modeling and global optimization is proposed. This approach employs the alpha BB global optimization method and is applied to the prediction of peptide docking to the MHC HLA-DR1 protein. (C) 1998 Elsevier Science Ltd. All rights reserved. [References: 34]},
\r
9514 keywords = {Conformational-analysis. Alpha-bb. Polypeptides.
\r
9515 Chemical engineering.},
\r
9519 @book{Klir1992_book,
\r
9520 author = {Klir, G. and Folger, T.},
\r
9521 title = {Fuzzy sets, uncertainty, and information},
\r
9522 publisher = {Prentice Hall},
\r
9523 address = {Singapore},
\r
9527 @article{Klir1997_FSS,
\r
9528 author = {Klir, G. and Wang, Z. and D., Harmanec},
\r
9529 title = {Constructing fuzzy measures in expert systems},
\r
9530 journal = {Fuzzy Sets and Systems},
\r
9532 pages = {251-264},
\r
9537 author = {Knuth, D.E.},
\r
9538 title = {The Art of Computer Programming, Volume 3: Sorting and Searching},
\r
9539 publisher = {Addison-Wesley},
\r
9540 address = {Boston, MA},
\r
9545 @inproceedings{Kobbelt1998_conf,
\r
9546 author = {Kobbelt, I. and Stamminger, M. and Seidel, H.-P.},
\r
9547 title = {Density Estimation on Delaunay Triangulations},
\r
9548 booktitle = {IEEE Workshop. Image and Multidimensional Digit. Sig. Proces.},
\r
9549 editor = {Steinbach, E. and Runze, G.},
\r
9550 address = {Alpbach, Austria},
\r
9551 pages = {307-310},
\r
9555 @article{Kocic1997_cma,
\r
9556 author = {Kocic, L.M. and Milovanovic, G.V.},
\r
9557 title = {Shape-preserving approximations by polynomials and splines},
\r
9558 journal = {Computer and Mathematics with Applications},
\r
9564 @article{Kojadinovic2007_EJOR2,
\r
9565 author = {Kojadinovic, I.},
\r
9566 title = {A weight-based approach to the measurement of the interaction among criteria in the framework of aggregation by the bipolar {C}hoquet integral},
\r
9567 journal = {Europ. J. Oper. Res.},
\r
9569 pages = {498-517},
\r
9573 @misc{Kojadinovic2005_kappa,
\r
9574 author = {Kojadinovic, I. and Grabisch, M.},
\r
9575 title = {Non additive measure and integral manipulation functions, R package version 0.2},
\r
9576 publisher = {Available from: <http://www.polytech.univ-nantes.fr/kappalab>},
\r
9580 @article{Kojadinovic2007_EJOR,
\r
9581 author = {Kojadinovic, I. and Marichal, J.-L.},
\r
9582 title = {Entropy of bi-capacities},
\r
9583 journal = {Europ. J. Oper. Res.},
\r
9585 pages = {168-184},
\r
9589 @article{Kojadinovic2005_IS,
\r
9590 author = {Kojadinovic, I. and Marichal, J.-L. and Roubens, M.},
\r
9591 title = {An axiomatic approach to the definition of the entropy of a discrete Choquet capacity},
\r
9592 journal = {Inform. Sci.},
\r
9594 pages = {131-153},
\r
9598 author = {Kokossis, A. C. and Floudas, C. A.},
\r
9599 title = {Optimization of Complex Reactor Networks .2. Nonisothermal Operation},
\r
9600 journal = {Chemical Engineering Science},
\r
9603 pages = {1037-1051},
\r
9604 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
9605 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0009},
\r
9606 abstract = {In this paper, the synthesis problem of complex nonisothermal reactor networks is addressed. The focus is on developing a superstructure of alternatives for the nonisothermal reactor system, and subsequently formulate and solve the synthesis problem according to the proposed general structure. The nonisothermal case features alternatives related to the type of temperature control for the reactors and includes options for directly or indirectly intercooled or interheated reactors. The approach is applicable to any homogeneous exothermic or endothermic complex reaction and the synthesis problem, formulated as a mixed integer nonlinear programming (MINLP) problem, can handle both thermodynamic and economic objective functions. The solution of the resulting MINLP problem provides information about the optimal type of temperature control, the optimal temperature profile, the feeding, recycling and bypassing strategy as well as the optimal type and size of the reactor units (CSTR, PFR) to be used. The efficiency of the method is illustrated with three different examples considering complex nonisothermal reaction mechanisms. [References: 30] 30},
\r
9607 keywords = {Attainable region.
\r
9609 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
9610 PRINCETON, NJ 08544, USA.},
\r
9614 author = {Kokossis, A. C. and Floudas, C. A.},
\r
9615 title = {Stability in Optimal Design - Synthesis of Complex Reactor Networks},
\r
9616 journal = {AICHE Journal},
\r
9619 pages = {849-861},
\r
9620 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
9621 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0010},
\r
9622 abstract = {A systematic methodology applicable to the optimal design of stable process systems is presented. It is based on the formulation of a parametric problem that provides bounds on the optimal stable solution and an iterative algorithmic approach that attains convergence of the bounds in a finite number of iterations. The bounds on the optimal stable solution are based on analytical expressions of bounds on the eigenvalues of the Jacobian matrix using the concept of the measure of the matrix. When extended to the synthesis problem of reactor networks, the approach is able to couple the optimization problem with stability issues even in cases where the number of reactors is large and the reaction mechanism is described by a general complex reaction scheme. Furthermore, since at the synthesis level the reactor network represents an exhaustive superposition of the existing structural and operational alternatives, the approach fully exploits these alternatives and coordinates a weighted optimal search that improves the objective and accommodates a stable reactor network. This approach is not restricted to the synthesis of reactor networks and can be applied to the design of total process flowsheets. [References: 54] 54},
\r
9623 keywords = {Stirred tank reactors. Optimization algorithm gop. Fluidized-bed
\r
9624 reactors. Cstr parameter space. Multiplicity patterns. Dynamic
\r
9625 behavior. Nonconvex nlps. Fine-structure. Safe design. Operation.
\r
9627 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
9628 PRINCETON, NJ 08544, USA.},
\r
9632 author = {Kokossis, A. C. and Floudas, C. A.},
\r
9633 title = {Stability Issues in Process Synthesis},
\r
9634 journal = {Computers and Chemical Engineering},
\r
9636 number = {Suppl S},
\r
9637 pages = {S 93-S 97},
\r
9638 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
9639 Reprint available from: Kokossis AC PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0016},
\r
9640 abstract = {A systematic methodology is presented for the optimal design of stable systems. The methodology is based upon the formulation of a parametric problem that bounds the optimal stable solution to which it converges within a number of iterations. The approach can be applied to the optimal design of total process flowsheets, as well as to the optimal synthesis of reactor networks where it can simultaneously address optimization and stability issues in superstructures comprised by large numbers of interconnected reactors which process complex reaction schemes. [References: 8] 8},
\r
9641 keywords = {Process synthesis. Complex reactor networks. Stability. Optimization.
\r
9643 Reprint available from: Kokossis AC. PRINCETON UNIV, DEPT CHEM ENGN,
\r
9644 PRINCETON, NJ 08544, USA.},
\r
9648 @article{Mesiar2007_IS,
\r
9649 author = {Koles\'arov\'a, A. and Mesiar, R. and Mayor, G.},
\r
9650 title = {Weighted ordinal means},
\r
9651 journal = {Inform. Sci.},
\r
9653 pages = { 3822-3830},
\r
9657 @article{Mesiar2006_TFS,
\r
9658 author = {Koles\'arov\'a, A. and Mesiar, R. and Mordelov\'a, J. and Sempi, C.},
\r
9659 title = {Discrete copulas},
\r
9660 journal = {IEEE Trans. on Fuzzy Systems},
\r
9662 pages = {608-705},
\r
9666 @article{Kolesarova2003_Kyb,
\r
9667 author = {Kolesarova, A.},
\r
9668 title = {1-Lipschitz aggregation operators and quasi-copulas},
\r
9669 journal = {Kybernetica},
\r
9671 pages = {615-629},
\r
9675 @article{Kolesarova2002_IJUFKS,
\r
9676 author = {Kolesarova, A. and Muel, E. and Mordelova, J.},
\r
9677 title = {Construction of kernel aggregation operators from marginal values},
\r
9678 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
9679 volume = {10 Suppl.},
\r
9684 @phdthesis{Koller2007,
\r
9685 author = {Koller, M.},
\r
9686 title = {Robust Statistics: Tests for Robust Linear Regression},
\r
9687 university = {Eidgenossische Technische Hochschule Zurich},
\r
9688 type = {Masters Thesis},
\r
9689 abstract = {Analyzing data using statistical methods means to break reality down to a mathematical
\r
9690 framework, a model. Often this model is based on strong assumptions, for
\r
9691 example normally distributed data. Classical statistics provides methods that fit the
\r
9692 chosen model perfectly. But in reality the model assumptions usually hold only approximately.
\r
9693 Anomalies and untrue assumptions might render the statistical analysis
\r
9695 Robust statistics aims for methods that are based on weaker assumptions and
\r
9696 thus allow small deviations from the classical model. However, robust statistics is not
\r
9697 restricted to the use of robust estimation methods alone. It also extends to methods
\r
9698 used to draw inference. In the past, there has not been much research focused on
\r
9700 In this thesis we study the quality of inference performed by of two state-of-the-art
\r
9701 robust regression procedures. We then propose a design adapted scale estimator and
\r
9702 use it as part of a new robust regression estimator, the MMD-estimator. This new
\r
9703 estimator improves the quality of robust tests considerably.
\r
9704 A simulation study is performed to compare the performance of the mentioned
\r
9705 regression procedures in combination with various covariance matrix estimators. We
\r
9706 found large differences between the tested methods. Some methods were able to approximately
\r
9707 reach the desired level in the corresponding tests for most tested scenarios
\r
9708 while others produced estimates that were only useful in specific high sample settings.
\r
9709 We infer that the covariance matrix estimator needs to be carefully selected for every
\r
9714 @article{Kolmogorov1957_dan,
\r
9715 author = {Kolmogorov, A.N.},
\r
9716 title = {On the representation of continuous functions of many variables by superposition of continuous functions of one variable and addition},
\r
9717 journal = {Dokl. Acad. Nauk USSR},
\r
9719 pages = {953-956},
\r
9723 author = {Kovacevic-Vujcic, V. V. and Cangalovic, M. M.},
\r
9724 title = {TABU search methodology in global optimization},
\r
9725 journal = {Computers and Mathematics with Applications},
\r
9728 pages = {125-133},
\r
9729 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
9730 Reprint available from: Kovacevic-Vujcic VV Univ Belgrade, Fac Org Sci, Lab Operat Res Karnegijeva 4 Belgrade Yugoslavia Univ Belgrade, Fac Org Sci, Lab Operat Res Belgrade Yugoslavia Ohio State Univ, Dept Math Newark, OH 43055 USA Univ Belgrade, Fac Math Belgrade Yugoslavia 0012 Comput. Math. Appl},
\r
9731 abstract = {This paper investigates the application of TABU search methodology in global optimization. A general multilevel TABU search algorithm is proposed. The algorithm is applied to the problem of finding constrained global minima of a piecewise smooth function of the form Phi(x) = max{phi(1)(x),...,phi(m)(x)} subject to box constraints. The tests are performed on a special class of problems of this type arising from the synthesis of radar polyphase codes. It is shown that problems of this type are NP-hard. (C) 1999 Elsevier Science Ltd. All rights reserved. [References: 8] 8},
\r
9732 keywords = {Global optimization. Heuristic methods. Tabu search.
\r
9733 Computer Science and Engineering in Current Contents(R)/Engineering,
\r
9734 Computing and Technology.
\r
9736 Reprint available from: Kovacevic-Vujcic VV. Univ Belgrade, Fac Org Sci,
\r
9737 Lab Operat Res, Karnegijeva 4, Belgrade, Yugoslavia.},
\r
9741 author = {Krotov, V. F.},
\r
9742 title = {Global methods in optimal control theory},
\r
9743 publisher = {Marcel Dekker},
\r
9744 address = {New York},
\r
9745 series = {Monographs and textbooks in pure and applied mathematics; 195.},
\r
9748 Includes bibliographical references and index.},
\r
9749 keywords = {Control theory.
\r
9750 Mathematical optimization.
\r
9751 Global analysis (Mathematics)},
\r
9755 @article{Kubica2002,
\r
9756 author = {Kubica, J.M.},
\r
9757 title = {Noise limits in reconstruction of optical parameters of silica-based double-layer planar waveguides on silicon},
\r
9758 journal = {J. of Lightwave Technology},
\r
9760 pages = {114-119},
\r
9765 author = {Kuhn, H.W.},
\r
9766 title = {A note on {F}ermat's problem},
\r
9767 journal = {Math. Program.},
\r
9773 author = {Kuncheva, L. I. and Bezdek, J. C.},
\r
9774 title = {Selection of cluster prototypes from data by a genetic algorithm},
\r
9775 booktitle = {5th European Congress on Intelligent Techniques and Soft Computing},
\r
9776 address = {Aachen, Germany},
\r
9777 pages = {1683-1688},
\r
9781 @article{Kuncheva1998_IEEE,
\r
9782 author = {Kuncheva, L. I. and Bezdek, J. C.},
\r
9783 title = {Nearest Prototype Classification - Clustering, Genetic Algorithms, or Random Search},
\r
9784 journal = {IEEE Transactions on Systems, Man and Cybernetics Part C: Applications and Reviews},
\r
9787 pages = {160-164},
\r
9788 abstract = {Three questions related to the nearest prototype classifier (NPC) are addressed: 1) when is it better to construct the prototypes instead of selecting them as a subset of the given labeled data, 2) how can we trade classification accuracy for a reduction in the number of prototypes, and 3) how good is pure random search (RS) for selection of prototypes from the data? We compare the resubstitution performance of the NPC on the IRIS data set, where the prototypes are either extracted by ''replacement'' (X-prototypes) or by ''selection'' (S-prototypes). Results for the R-prototypes are taken from a previous study and are contrasted with S-prototype results obtained by a genetic algorithm (GA) or by RS. The best results reached by both algorithms (GA and RS), followed by resubstitution NPC, are two errors with sets of three S-prototypes. This compares favorably to the best result found with R-prototypes, viz., three errors with five R-prototypes. Based on our results, He recommend GA selection for the NPC. A by-product of this research is a counter example to minimality of a recently published ''minimal consistent set selection'' procedure. [References: 12]},
\r
9789 keywords = {Classifier design. Genetic algorithms (gas). Nearest prototypes.
\r
9790 Random search (rs).
\r
9791 Ai, robotics and automatic control.},
\r
9795 author = {Kuper, T.},
\r
9796 title = {Global Optimization Leads to Better Designs},
\r
9797 journal = {Laser Focus World},
\r
9800 pages = {153-155},
\r
9801 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
9802 Reprint available from: Kuper T OPT RES ASSOCIATES PASADENA, CA 91107 USA},
\r
9803 keywords = {Optics and acoustics.},
\r
9807 author = {Kutteh, R. and Straatsma, T.P.},
\r
9808 title = {Molecular dynamics with general holonomic constraints and application to internal coordinate constraints},
\r
9809 booktitle = {Reviews in Computational Chemistry},
\r
9810 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
9811 publisher = {Wiley-VCH},
\r
9812 address = {New York},
\r
9815 keywords = {constrained mechanics
\r
9816 holonomic constraints
\r
9817 molecular dynamics (MD)
\r
9818 molecular mechanics (MM)
\r
9819 molecular modelling
\r
9820 velocity Verlet algorithm
\r
9825 @book{Kvasov2000_book,
\r
9826 author = {Kvasov, B.},
\r
9827 title = {Methods of Shape Preserving Spline Approximation},
\r
9828 publisher = {World Scientific},
\r
9829 address = {Singapore},
\r
9833 @article{Luthi2005_MP,
\r
9834 author = {L\"uthi, H.-J. and Doege, J.},
\r
9835 title = {Convex risk measures for portfolio optimization and concepts of flexibility},
\r
9836 journal = { Mathematical Programming, Series B},
\r
9838 pages = {541 - 559 },
\r
9842 @book{Laarhoven1987_book,
\r
9843 author = {Laarhoven, P. J. M. van and Aarts, E. H. L.},
\r
9844 title = {Simulated annealing: theory and applications},
\r
9845 publisher = {D. Reidel},
\r
9846 address = {Dordrecht; Boston
\r
9847 Norwell, MA, U.S.A.},
\r
9849 P.J.M. van Laarhoven and E.H.L. Aarts.
\r
9850 Mathematics and its applications.
\r
9852 Bibliography: p. 157-175.
\r
9853 Mathematics and its applications (D. Reidel Publishing Company)},
\r
9854 keywords = {Combinatorial optimization.
\r
9859 @article{Lahtinen1990,
\r
9860 author = {Lahtinen, Aatos},
\r
9861 title = {Shape preserving interpolation by quadratic splines},
\r
9862 journal = {Journal of Computational and Applied Mathematics},
\r
9866 keywords = {Quadratic spline
\r
9867 preserving the shape},
\r
9871 author = {Lasserre, J. B.},
\r
9872 title = {Global optimization with polynomials and the problem of moments},
\r
9873 journal = {SIAM Journal on Optimization},
\r
9876 pages = {796-817},
\r
9877 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9878 Reprint available from: Lasserre JB CNRS, LAAS 7 Ave Colonel Roche F-31077 Toulouse 4 France CNRS, LAAS F-31077 Toulouse 4 France 0011 SIAM J. Optim},
\r
9879 abstract = {We consider the problem of finding the unconstrained global minimum of a real-valued polynomial p(x): R-n-->R, as well as the global minimum of p (x), in a compact set K defined by polynomial inequalities. It is shown that this problem reduces to solving an (often finite) sequence of convex linear matrix inequality( LMI) problems. A notion of Karush-Kuhn-Tucker polynomials is introduced in a global optimality condition. Some illustrative examples are provided. [References: 20] 20},
\r
9880 keywords = {Global optimization. Theory of moments and positive polynomials.
\r
9881 Semidefinite programming.
\r
9882 Semi-algebraic sets.
\r
9883 Mathematics in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9888 @book{Lawson1995_book,
\r
9889 author = {Lawson, C. and Hanson, R.},
\r
9890 title = {Solving Least Squares Problems},
\r
9891 publisher = {SIAM},
\r
9892 address = {Philadelphia},
\r
9896 @book{Lay1972_book,
\r
9897 author = {Lay, S.R.},
\r
9898 title = {Convex sets and their applications},
\r
9899 publisher = {Wiley},
\r
9900 address = {New York},
\r
9904 @article{Lazaro2004_FSS,
\r
9905 author = {Lazaro, J. and R\"uckschlossov/'a, T. and Calvo, T.},
\r
9906 title = {Shift invariant binary aggregation operators },
\r
9907 journal = {Fuzzy Sets and Systems},
\r
9913 author = {Leach, A.R.},
\r
9914 title = {A survey of methods for searching the conformational space of small and medium-sized molecules},
\r
9915 booktitle = {Reviews in Computational Chemistry},
\r
9916 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
9917 publisher = {VCH Publishers},
\r
9918 address = {New York},
\r
9921 note = {ISBN 3-527-28338-2},
\r
9922 keywords = {standard review
\r
9923 geometry optimization
\r
9925 molecular mechanics (MM)
\r
9926 molecular modelling},
\r
9930 @book{Leach1996_book,
\r
9931 author = {Leach, A.R.},
\r
9932 title = {Molecular Modelling: Principles and Applications},
\r
9933 publisher = {Addison Wesley Longman},
\r
9934 address = {Harlow (UK)},
\r
9935 abstract = {Useful concepts in molecular modelling
\r
9936 Quantum mechanical models
\r
9937 Empirical force field models: molecular mechanics
\r
9938 Energy minimisation and related methods for exploring the energy surface
\r
9939 Computer simulation methods
\r
9940 Molecular dynamics simulation methods
\r
9941 Monte Carlo simulation methods
\r
9942 Conformational analysis
\r
9943 Three challenges in molecular modelling: free energies, solvation and simulating reactions
\r
9944 The use of molecular modelling to discover and design new molecules},
\r
9945 keywords = {standard text
\r
9946 molecular dynamics (MD)
\r
9947 molecular mechanics (MM)
\r
9948 molecular modelling
\r
9951 computational chemistry},
\r
9955 author = {Lee, J. Y. and Pillardy, J. and Czaplewski, C. and Arnautova, Y. and Ripoll, D. R. and Liwo, A. and Gibson, K. D. and Wawak, R. J. and Scheraga, H. A.},
\r
9956 title = {Efficient parallel algorithms in global optimization of potential energy functions for peptides, proteins, and crystals},
\r
9957 journal = {Computer Physics Communications},
\r
9960 pages = {399-411},
\r
9961 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9962 Reprint available from: Scheraga HA Cornell Univ, Baker Lab Chem and Chem Biol Ithaca, NY 14853 USA Cornell Univ, Baker Lab Chem and Chem Biol Ithaca, NY 14853 USA Cornell Theory Ctr Ithaca, NY 14853 USA Univ Gdansk, Fac Chem PL-80952 Gdansk Poland 0027 Comput. Phys. Commun},
\r
9963 abstract = {Global optimization is playing an increasing role in physics, chemistry, and biophysical chemistry. One of the most important applications of global optimization is to find the global minima of the potential energy of molecules or molecular assemblies, such as crystals. The solution of this problem typically requires huge computational effort. Even the fastest processor available is not fast enough to carry out this kind of computation in real time for the problems of real interest, e.g., protein and crystal structure prediction. One way to circumvent this problem is to take advantage of massively parallel computing. In this paper, we provide several examples of parallel implementations of global optimization algorithms developed in our laboratory. All of these examples follow the master/worker approach. Most of the methods are parallelized on the algorithmic (coarse-grain) level and one example of fine-grain parallelism is given, in which the function evaluation itself is computationally expensive. All parallel algorithms were initially implemented on an IBM/SP2 (distributed-memory) machine. In all cases, however, message passing is handled through the standard Message Passing Interface (MPI); consequently the algorithms can also be implemented on any distributed- or shared-memory system that runs MPI. The efficiency of these implementations is discussed. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 38] 38},
\r
9964 keywords = {Crystal structure prediction. Genetic algorithms. Global optimization.
\r
9965 Monte carlo methods. Parallel algorithms. Protein structure prediction.
\r
9966 Residue force-field. Monte-carlo method. Multiple-minima problem.
\r
9967 Membrane-bound portion. Hydrogen-bond interactions. Occurring
\r
9968 amino-acids. Conformational-analysis. Nonbonded interactions.
\r
9969 Structure simulations. Structure prediction.
\r
9970 Physics in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
9972 Reprint available from: Scheraga HA. Cornell Univ, Baker Lab Chem and Chem
\r
9973 Biol, Ithaca, NY 14853, USA, .},
\r
9977 @article{Lee1995_FSS,
\r
9978 author = {Lee, K.M. and Leekwang, H.},
\r
9979 title = {Identification of $\lambda$-fuzzy measure by genetic algorithms},
\r
9980 journal = {Fuzzy Sets and Systems},
\r
9982 pages = { 301-309},
\r
9986 @article{Lehmann2006_Nature,
\r
9987 author = {Lehmann, S. and Jackson, A.D. and Lautrup, B.E.},
\r
9988 title = {Measures for measures},
\r
9989 journal = {Nature},
\r
9991 pages = {1003-1004},
\r
9995 author = {Lehmann, T.E.},
\r
9996 title = {Molecular modeling of the three-dimensional structure of Fe(II)-bleomycin: are the Co(II) and Fe(II) adducts isostructural?},
\r
9997 journal = {Journal of Biological Inorganic Chemistry},
\r
10000 pages = {305-312},
\r
10001 abstract = {The molecular modeling of Co(II)-bleomycin previously performed by us through NMR and molecular dynamics indicates that the most favorable structure for this complex is six-coordinate, with the secondary amine in beta-aminoalanine, the N5 and N1 nitrogens in the pyrimidine and imidazole rings, respectively, and the amide nitrogen in beta-hydroxyhistidine as equatorial ligands. The primary amine and either the carbamoyl group or a solvent molecule are proposed to occupy the axial sites. In this report, the results of the molecular modeling of Fe(II)-bleomycin are presented. The NMR data for the ferrous derivative of the drug have already been reported by us, and were used here to generate the necessary restraints For this modeling work. For Co(II)-bleomycin, two new models exhibiting N-carbamoyl ligation to the metal centers were also assayed and compared with the ones previously examined. The results of this investigation on Fe(II)- and Co(II)-bleomycin are most consistent with a six-coordinate structure with five endogenous N-donors and a solvent molecule or the carbamoyl group as the sixth ligand. Comparisons of the best Co(II)- and Fe(II)-bleomycin models with the NMR-generated structures for some relevant metallo-BLMs favor the model with only endogenous ligands and N-carbamoyl ligation as the structure probably held in solution by both Co(II)- and Fe(II)-bleomycin.},
\r
10002 keywords = {distance geometry
\r
10003 nuclear magnetic resonance (NMR)
\r
10005 nuclear Overhauser effect (NOE)},
\r
10009 @article{lei2008,
\r
10010 author = {Lei, Chen and Xiang, Lian},
\r
10011 title = {Efficient Similarity Search in Nonmetric Spaces with Local Constant Embedding},
\r
10012 journal = {IEEE Transactions on Knowledge and Data Engineering},
\r
10015 pages = {321-336},
\r
10016 keywords = {query formulation
\r
10017 distance function
\r
10018 local constant embedding
\r
10019 similarity-based search},
\r
10023 author = {Leighton, Frank Thomson},
\r
10024 title = {Introduction to parallel algorithms and architectures: arrays, trees, hypercubes},
\r
10025 publisher = {M. Kaufmann Publishers},
\r
10026 address = {San Mateo, Calif.},
\r
10027 note = {91033238 //r98
\r
10028 F. Thomson Leighton.
\r
10029 Includes bibliographical references (p. [785]-801) and indexes.},
\r
10030 keywords = {Parallel algorithms.
\r
10031 Parallel processing (Electronic computers)},
\r
10035 @inproceedings{Leischner2010_IEEE,
\r
10036 author = {Leischner, N. and Osipov, V. and Sanders, P.},
\r
10037 title = {GPU samplesort},
\r
10038 booktitle = { IEEE International Parallel and Distributed Processing Symposium},
\r
10039 address = {Atlanta},
\r
10040 publisher = {IEEE},
\r
10041 pages = {DOI: 10.1109/IPDPS.2010.5470444 },
\r
10045 @incollection{Lemarechal1978,
\r
10046 author = {Lemarechal, C.},
\r
10047 title = {Bundle methods in non-smooth optimization},
\r
10048 booktitle = {Non-smooth Optimization},
\r
10049 editor = {Lemarechal, C. and Mifflin, R. },
\r
10050 publisher = {Pergamon Press},
\r
10051 address = {Oxford},
\r
10052 pages = {78-102},
\r
10056 author = {Lenzer, T. and Luther, K. and Troe, J. and Gilbert, R.G. and Lim, K.F.},
\r
10057 title = {Trajectory simulations of collisional energy transfer in highly excited benzene and hexafluorobenzene},
\r
10058 journal = {J. Chem. Phys.},
\r
10061 pages = {626-641},
\r
10062 keywords = {collisional energy transfer (CET)
\r
10063 molecular dynamics (MD)
\r
10064 quasiclassical trajectory (QCT)
\r
10065 rotational energy transfer (RET)
\r
10066 vibrational energy transfer (VET)
\r
10068 hexafluorobenzene},
\r
10072 author = {Lesk, A.M.},
\r
10073 title = {Introduction to Bioinformatics},
\r
10074 publisher = {Oxford University Press},
\r
10075 address = {New York},
\r
10076 keywords = {bioinformatics
\r
10077 computational biology},
\r
10081 author = {Leung, Yee and Zhang, Jiang-She and Xu, Zong-Ben},
\r
10082 title = {Clustering by Scale-Space Filtering},
\r
10083 journal = {IEEE Transactions on Pattern Analysis and Machine Intelligence},
\r
10087 abstract = {In pattern recognition and image processing, the major application areas of cluster analysis, human eyes seem to possess a singular aptitude to group objects and find important structures in an efficient and effective way. Thus, a clustering algorithm simulating a visual system may solve some basic problems in these areas of research. From this point of view, we propose a new approach to data clustering by modeling the blurring effect of lateral retinal interconnections based on scale space theory. In this approach, a data set is considered as an image with each light point located at a datum position. As we blur this image, smaller light blobs merge into larger ones until the whole image becomes one light blob at a low enough level of resolution. By identifying each blob with a cluster, the blurring process generates a family of clusterings along the hierarchy. The advantages of the proposed approach are: 1) The derived algorithms are computationally stable and insensitive to initialization and they are totally free from solving difficult global optimization problems. 2) It facilitates the construction of new checks on cluster validity and provides the final clustering a significant degree of robustness to noise in data and change in scale. 3) It is more robust in cases where hyperellipsoidal partitions may not be assumed. 4) It is suitable for the task of preserving the structure and integrity of the outliers in the clustering process. 5) The clustering is highly consistent with that perceived by human eyes. 6) The new approach provides a unified framework for scale-related clustering algorithms recently derived from many different fields such as estimation theory, recurrent signal processing on self-organization feature maps, information theory and statistical mechanics, and radial basis function neural networks.
\r
10088 Index Terms--Hierarchical clustering, scale space theory, cluster validity.},
\r
10089 keywords = {Pattern recognition Research
\r
10090 Image processing Research
\r
10091 Clustering (Computers) Technique},
\r
10095 author = {Lewis, S.W. and Francis, P.S. and Lim, K.F. and Jenkins, G.E.},
\r
10096 title = {Monitoring urea levels during haemodialysis with a pulsed-flow chemiluminescence analyser},
\r
10097 journal = {Analytica Chimica Acta},
\r
10100 pages = {131-139},
\r
10101 abstract = {We have developed a rapid and robust method for the determination of urea in spent haemodialysis fluid as a measure of the efficiency of haemodialysis treatments. A novel flow analysis instrument (which generates a pulsed solution flow) was coupled with a chemiluminescence detection system, based on the oxidation of urea with hypobromite. The ‘pulsed-flow chemiluminescence analyser’ exhibited high precision (1.6% relative standard deviation (R.S.D.) for a 1 ¥ 10-5M urea standard, n = 10) and good limit of detection (9 ¥10-7 M, S/N = 3) as a result of the rapid and reproducible mixing of small volumes of reagent and sample at the point of detection. The proposed chemiluminescence technique and an established urease-based laboratory procedure were compared, and showed a very similar trend for the change in urea concentration during a typical haemodialysis treatment. The relative chemiluminescence response from the oxidation of species with similar structure has revealed the inherent selectivity of the light producing pathway, but a positive interference was obtained from protein when this technique was applied to the determination of urea in serum samples. Arginine was identified as the predominant source of this interference. © 2002 Published by Elsevier Science B.V.},
\r
10102 keywords = {journal
\r
10104 pulsed flow analysis
\r
10105 chemiluminescence (CL)
\r
10112 author = {Lewis, S.W. and Francis, P.S. and Lim, K.F. and Jenkins, G.E. and Wang, X.D.},
\r
10113 title = {Pulsed flow chemistry: A new approach to solution handling for flow analysis coupled with chemiluminescence detection},
\r
10114 journal = {Analyst},
\r
10117 pages = {1869-1874},
\r
10118 abstract = {Novel instrumentation for flow analysis, coupled with chemiluminescence detection, and based on pulsed flow chemistry is described. The pulsed flow chemistry manifold allows for rapid and efficient mixing of chemiluminescent reagent with sample immediately in front of the detector, thus giving high precision (less than 1 % RSD) and detectability, particularly for rapid, short-lived emissions. The instrument is also characterised by a compact size, high sampling frequency (120 to 300 samples per hour) and low reagent consumption (less than 500 ml per cycle). Other flow analysis modes (eg. flow injection, continuous flow and stopped flow) are available by simply altering software settings. The suitability of the system was shown using chemiluminescence reactions of analytical significance, namely the oxidation of luminol with hexacyanoferrate(III) in the presence of 4-hydroxy-3-methoxybenzeneacetic acid (homovanillic acid), and the reduction of acidic potassium permanganate by morphine in the presence of polyphosphates. The latter reaction was used to determine morphine in aqueous process samples and the results obtained with the pulsed flow instrument displayed good agreement (mean difference of 1.8%) with a previously validated flow injection analysis method.},
\r
10119 keywords = {journal
\r
10121 pulsed flow analysis
\r
10122 hexacyanoferrate(III); Fe(CN)63–
\r
10124 4-hydroxy-3-methoxybenzeneacetic acid; homovanillic acid; HVA
\r
10125 potassium permanganate
\r
10128 chemiluminescence (CL)},
\r
10132 @article{Leydold1998_Mathcomp,
\r
10133 author = {Leydold, J. and H\"ormann, W.},
\r
10134 title = {A sweep-plane algorithm for generating random tuples in simple polytopes},
\r
10135 journal = {Mathematics of Computation},
\r
10137 pages = {1617-1635},
\r
10141 @incollection{Leydold2001_involume,
\r
10142 author = {Leydold, J. and H\"ormann, W.},
\r
10143 title = {Universal algorithms as an alternative for generating non-uniform continuous random variates},
\r
10144 booktitle = {Monte Carlo Simulation},
\r
10145 editor = {Schuëler, G.I. and Spanos, P.D.},
\r
10146 publisher = {A. A. Balkema},
\r
10147 address = {Rotterdam},
\r
10148 pages = {177-183},
\r
10152 author = {Li, H.-X. and Yen, V.C.},
\r
10153 title = {Fuzzy sets and fuzzy decision-making},
\r
10154 publisher = {CDC Press},
\r
10155 address = {Boca Raton},
\r
10159 author = {Li, Z. and Scheraga, H.A.},
\r
10160 title = {Monte Carlo-minimization approach to the multiple-minima problem in protein folding},
\r
10161 journal = {Proceedings of the National Academy of Science (USA)},
\r
10164 keywords = {journal
\r
10165 National Academy of Sciences (USA)
\r
10166 geometry optimization
\r
10172 author = {Liano, K.},
\r
10173 title = {Robust error measure for supervised neural network learning with outliers},
\r
10174 journal = {IEEE Trans. on Neural Networks},
\r
10177 pages = {246-250},
\r
10178 keywords = {approximation theory
\r
10179 learning (artificial intelligence)
\r
10181 influence function
\r
10182 maximum likelihood
\r
10183 mean log squared error
\r
10185 robust error measure
\r
10186 supervised neural network learning},
\r
10190 author = {Liberti, Leo and Kucherenko, Sergei},
\r
10191 title = {Comparison of deterministic and stochastic approaches to global optimization},
\r
10192 journal = {International Transactions in Operational Research},
\r
10196 note = {0969-6016},
\r
10200 @book{Liberti2006_book,
\r
10201 author = {Liberti, Leo and Maculan, N.},
\r
10202 title = {Global Optimization. From Theory to Implementation},
\r
10203 publisher = {Springer},
\r
10204 address = {New York},
\r
10208 author = {Lim, K.F.},
\r
10209 title = {Comment on "Analytic solution of relaxation in a system with exponential transition probabilities"},
\r
10210 journal = {J. Chem. Phys.},
\r
10214 keywords = {collisional energy transfer (CET)},
\r
10221 @incollection{Lim2003_ICCS,
\r
10222 author = {Lim, K.F. and Beliakov, G. and Batten, L.M.},
\r
10223 title = {A new method for locating the global optimum: Application of the cutting angle method to molecular structure prediction},
\r
10224 booktitle = {Proceedings of the 3rd International Conference on Computational Science},
\r
10225 series = {Springer-Verlag Lecture Notes in Computer Science (LNCS)},
\r
10226 publisher = {Springer-Verlag},
\r
10227 address = {Heidelberg},
\r
10229 pages = {1040-1049},
\r
10230 abstract = {Many problems in chemistry depend on the ability to identify the global minimum or maximum of a function. Examples include applications in chemometrics, optimization of reaction or operating conditions, and non-linear least-squares analysis. This paper presents the results of the application of a new method of deterministic global optimization, called the cutting angle method (CAM), as applied to the prediction of molecular geo-metries. CAM is shown to be competitive with other global optimization techniques for several benchmark molecular conformation problem. CAM is a general method that can also be applied to other computational problems involving global minima, global maxima or finding the roots of nonlinear equations.},
\r
10231 keywords = {global minimum
\r
10232 global optimization
\r
10233 geometry optimization
\r
10234 Melbourne (Australia)
\r
10235 St Petersburg (Russian Federation)},
\r
10239 @article{Lim2003_PCCP,
\r
10240 author = {Lim, K.F. and Beliakov, G. and Batten, L.M.},
\r
10241 title = {Predicting molecular structures: Application of the cutting angle method},
\r
10242 journal = {Physical Chemistry Chemical Physics},
\r
10245 pages = {3884-3890},
\r
10246 abstract = {The ability to predict molecular geometries has important applications in chemistry. Specific examples include the areas of protein space structure elucidation, the investigation of host-guest interactions, the understanding of properties of superconductors and of zeolites. This prediction of molecular geometries often depends on finding the global minimum or maximum of a function such as the potential energy. In this paper, we consider several well-known molecular conformation problems to which we apply a new method of deterministic global optimization called the Cutting Angle Method. We demonstrate that this method is competitive with other global optimization techniques for these molecular conformation problems.},
\r
10247 keywords = {journal
\r
10248 molecular mechanics (MM)
\r
10249 molecular modelling
\r
10250 molecular structure
\r
10253 global optimization
\r
10254 cutting angle method
\r
10255 potential energy surface (PES)
\r
10256 ECEPP force field
\r
10257 geometry optimization},
\r
10261 author = {Lim, K.F. and Brauman, J.I.},
\r
10262 title = {Reaction dynamics on barrierless reaction surfaces: a model for isoergic gas-phase proton-transfer reactions},
\r
10263 journal = {J. Chem. Phys.},
\r
10266 pages = {7164-7180},
\r
10267 keywords = {methanol + methoxide reaction
\r
10268 barrierless reaction surfaces
\r
10269 molecular dynamics (MD)
\r
10270 quasiclassical trajectory (QCT)
\r
10271 multiple transition states
\r
10272 entropic bottlenecks},
\r
10276 author = {Lim, K.F. and Brauman, J.I.},
\r
10277 title = {Rotational enhancement of the proton-transfer barrier for ion-molecule reactions on a double-minimum surface},
\r
10278 journal = {Chem. Phys. Lett.},
\r
10281 pages = {326-330},
\r
10282 keywords = {journal
\r
10283 methanol + methoxide reaction
\r
10284 barrierless reaction surfaces},
\r
10288 author = {Lim, K.F. and Collins, Michael Ambrose},
\r
10289 title = {Some advantages of infrared overtone spectroscopy},
\r
10290 journal = {Australian Journal of Education in Chemistry},
\r
10292 pages = {17-19 and 29},
\r
10293 keywords = {chemical education
\r
10294 teaching / learning aids
\r
10295 teaching and learning
\r
10296 laboratory instruction
\r
10297 hydrogen chloride (HCl)
\r
10298 carbon monoxide (CO)
\r
10299 vibrational spectroscopy
\r
10300 infrared (IR) spectroscopy
\r
10301 overtone spectroscopy
\r
10302 rovibrational spectroscopy
\r
10303 Fourier-transform infrared (FTIR) spectroscopy},
\r
10307 author = {Lim, K.F. and Gilbert, R.G.},
\r
10308 title = {The a priori calculation of collisional energy transfer in highly vibrationally excited molecules: the biased random walk theory},
\r
10309 journal = {J. Chem. Phys.},
\r
10312 pages = {6129-6140},
\r
10313 keywords = {azulene
\r
10314 collisional energy transfer (CET)
\r
10315 biased random walk (BRW) model},
\r
10319 author = {Lim, K.F. and Gilbert, R.G.},
\r
10320 title = {Calculation of collisional energy transfer rates in highly excited molecules},
\r
10321 journal = {J. Phys. Chem.},
\r
10325 keywords = {collisional energy transfer (CET)
\r
10326 molecular dynamics (MD)
\r
10327 quasiclassical trajectory (QCT)},
\r
10331 author = {Lim, K.F. and Gilbert, R.G.},
\r
10332 title = {Modelling collisional energy transfer in highly excited molecules},
\r
10333 journal = {J. Chem. Phys.},
\r
10336 pages = {1819-1830},
\r
10337 keywords = {biased random walk (BRW) model
\r
10338 collisional energy transfer (CET)},
\r
10342 author = {Lim, K.F. and Gilbert, R.G.},
\r
10343 title = {Trajectory simulations of collisional energy transfer of highly vibrationally excited azulene},
\r
10344 journal = {J. Phys. Chem.},
\r
10348 keywords = {azulene; helium; neon; argon; krypton; xenon; collisional energy transfer (CET)
\r
10349 molecular dynamics (MD)
\r
10350 quasiclassical trajectory (QCT)},
\r
10354 author = {Lim, K.F. and Gilbert, R.G. and Brown, T.C. and King, K.D.},
\r
10355 title = {Collisional energy transfer in highly vibrationally excited molecules: a very low-pressure pyrolysis study of acetyl chloride},
\r
10356 journal = {Int. J. Chem. Kinet.},
\r
10359 pages = {373-389},
\r
10360 keywords = {collisional energy transfer (CET)},
\r
10364 author = {Lim, K.F. and Keir, R.I.},
\r
10365 title = {Reaction dynamics on barrierless reaction surfaces. II: Microcanonical variational transition states},
\r
10366 journal = {J. Chem. Phys.},
\r
10369 pages = {1072-1078},
\r
10370 keywords = {methanol + methoxide reaction
\r
10371 barrierless reaction surfaces
\r
10372 multiple transition states
\r
10373 microcanonical variational transition state theory (mVTST)
\r
10374 entropic bottlenecks},
\r
10378 author = {Lim, K.F. and Kendle, A.},
\r
10379 title = {IT skills of university first year undergraduate students: Two 2001 matriculation cohorts},
\r
10380 journal = {UniServe Science News},
\r
10382 number = {October 2001},
\r
10383 abstract = {The use of computers is becoming more widespread in education and in the wider Australian community. This communication reports the results of surveys of two cohorts of first year undergraduate students at The University of Western Australia and Deakin University, conducted at the beginning of the 2001 academic year. The surveys confirm that general IT skills among students are increasing, but that the level of skill is variable. This is consistent with a similar survey at Deakin University which was conducted at the beginning of 2000 [Lim, K. F. and Lee, J. (2000) IT skills of university undergraduate students enrolled in a first year unit, Australian Journal of Educational Technology, 16, 215 http://cleo.murdoch.edu.au/ajet/ajet16/res/lim.html].},
\r
10384 keywords = {Information technology skills; IT skills
\r
10391 author = {Lim, K.F. and Kendle, A.},
\r
10392 title = {IT skills of university students in 2001},
\r
10393 booktitle = {Proceedings of Research and Development into University Science Teaching and Learning Workshop},
\r
10394 editor = {Fernandez, A.},
\r
10395 publisher = {UniServe Science},
\r
10396 address = {Sydney},
\r
10398 keywords = {Information technology skills; IT skills
\r
10405 author = {Lim, K.F. and Kendle, A.},
\r
10406 title = {Computer and IT skills of Australian first-year university undergraduate students},
\r
10407 journal = {Chemical Education Journal},
\r
10410 pages = {Paper 5—24},
\r
10411 abstract = {The use of computers and information technology is becoming more widespread in chemical education and in the wider community and workforce. Universities are increasing the use of computers and information technology in their teaching and learning programs. The Australian situation, reported here, can be viewed as a microcosm, reflecting a world-wide trend.
\r
10412 The penetration of general IT literacy and ability amongst Australian undergraduate students is rising rapidly. This paper reports surveys of the detailed IT skills of Australian undergraduate students. To the best of our knowledge, apart from our own work, there have been no other published surveys of specific IT skills. Most students have some reasonable computer skills at the start of their university studies, but the level of skill is not uniformly high. In fact, many IT literate students lack a sufficient level of skill to use the new technologies, including full use of web-based flexible learning. There is an urgent need for IT training for university students in order to achieve successful learning outcomes using IT and to satisfy the needs of future employers.
\r
10413 This article, which is the second in a series of investigations on the computer skills of undergraduate students at the start of university, is an expanded version of a paper presented at the World Chemistry Congress held in Brisbane (Australia) during 1-6 July 2001.},
\r
10414 keywords = {chemical education
\r
10415 Chemical Education Research
\r
10416 Teaching / Learning Aids
\r
10417 Computers in Chemistry
\r
10420 CSSJ School of Chemistry
\r
10421 Division of the Chemical Software Society of Japan},
\r
10425 author = {Lim, K.F. and Lee, J.},
\r
10426 title = {IT skills of students enrolled in a first-year undergraduate unit},
\r
10427 journal = {Aust. J. Educ. Tech.},
\r
10430 pages = {215-238},
\r
10431 abstract = {The use of computers is becoming more widespread in education and in the wider workforce. This communication reports the results of a survey of first-year undergraduate students at Deakin University, conducted at the beginning of the 2000 academic year. The high penetration of IT usage in this university sample is similar to that of a recent survey of school students conducted by Meredyth et al. [Real Time: Computers, Change and Schooling, DETYA, Canberra, 1999]. The present study indicates that the level of IT skills is variable. There is an urgent need for IT training for university students in order to achieve successful learning outcomes using IT and to satisfy the needs of future employers.},
\r
10432 keywords = {Australian Journal of Educational Technology (AJET)
\r
10433 Australasian Society for Computers in Learning in Tertiary Education (ASCILITE)
\r
10434 Australian Society for Educational Technology (ASET)
\r
10435 Information technology skills; IT skills
\r
10440 author = {Lim, K.F. and Lim, J.M. and Lee, J.},
\r
10441 title = {'Why I cannot do physical chemistry'},
\r
10442 booktitle = {Conference on Physical Chemistry},
\r
10443 address = {Christchurch, New Zealand},
\r
10444 abstract = {“I cannot do physical chemistry” is a common refrain as university students around the world experience difficulties learning physical chemistry. Recent research indicates that successful learning outcomes are related more to students’ logical thinking skills, than to any other factors, including their previous chemistry knowledge and mathematical ability [1].
\r
10446 This paper argues that the traditional textbook approach is inappropriate for the learning styles of many students, who experience learning difficulties:
\r
10447 • the “standard” problem in physical chemistry is actually a non-standard problem in the overall context of chemical and science education [2]; and
\r
10448 • the use of “Mathematical English” [3].
\r
10449 Alternative teaching approaches, using tables [4], diagrams [5] and concept maps will be presented. The relationship of these alternative approaches to current models of learning will be discussed [6].
\r
10451 [1] G. Nicoll and J. S. Francisco, J. Chem. Educ., 2001, 78, 99 <http://jchemed.chem.wisc.edu/Journal/Issues/2001/Jan/abs99.html>.
\r
10452 [2] D. Rickey and A. M. Stacy, J. Chem. Educ., 2000, 77, 915
\r
10453 <http://jchemed.chem.wisc.edu/Journal/Issues/2000/Jul/abs915.html>.
\r
10454 [3] eg, D. Hathwell and A. W. K. Metzner (ed.), Style Manual,
\r
10455 American Institute of Physics, New York, 3rd Edn., 1978.
\r
10456 [4] K. F. Lim, "A tabular approach to titration calculations",
\r
10457 submitted to J. Chem. Educ., 2001.
\r
10458 [5] B. Davidowitz and M. Rollnick, paper presented at World Chemistry Congress, Brisbane (Qld), 2001; B. Davidowitz and M. Rollnick, paper presented at CONASTA 50 "Enriching Science Education - A Golden Opportunity": The 50th conference of the Australian Science Teachers' Association, Sydney, 2001 <http://www.conasta.stansw.asn.au/proceed.htm>.
\r
10459 [6] eg, E. de Bono, Teach Your Child How to Think, Viking, London, 1992; D. Markova and A. R. Powell, How Your Child IS Smart, Conari Press, Berkeley (CA), 1992; H. L. Bee, The Developing Child, 8th Edn., Longman, New York, 1997; D. M. McInerney and V. McInerney, Educational Psychology: Constructing knowledge, 2nd Edn., Prentice Hall, Sydney, 1998.},
\r
10460 keywords = {Royal Australian Chemical Institute (RACI)
\r
10461 Royal Society of Chemistry (RSC)
\r
10462 New Zealand Institute of Chemistry (NZIC)
\r
10463 chemical education
\r
10464 child development
\r
10466 teaching and learning},
\r
10470 author = {Lim, K.F. and McCormack, D.A.},
\r
10471 title = {The conservation of quantum zero-point energies in classical trajectory simulations},
\r
10472 journal = {J. Chem. Phys.},
\r
10475 pages = {1705-1715},
\r
10476 note = {P540.5/JOU},
\r
10477 keywords = {molecular dynamics (MD)
\r
10479 constrained mechanics
\r
10480 Hénon-Heiles system
\r
10481 trajectory projection onto ZPE (TRAPZ) method},
\r
10485 author = {Lin, X. and Floudas, C. A.},
\r
10486 title = {Design, synthesis and scheduling of multipurpose batch plants via an effective continuous-time formulation},
\r
10487 journal = {Computers and Chemical Engineering},
\r
10490 pages = {665-674},
\r
10491 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
10492 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0019 Comput. Chem. Eng},
\r
10493 abstract = {Design, synthesis and scheduling issues are considered simultaneously for multipurpose batch plants. An earlier proposed continuous-time formulation for scheduling is extended to incorporate design and synthesis. Processing recipes are represented by the State-Task Network (STN). The superstructure of all possible plant designs is constructed according to the potential availability of all processing/storage units. The proposed model takes into account the trade-offs between capital costs, revenues and operational flexibility. Computational studies are presented to illustrate the effectiveness of the proposed formulation. Both linear and nonlinear models are included, resulting in MILP and mixed-integer nonlinear programming (MINLP) problems. respectively. The MILP problems are solved using a branch and bound method. Globally optimal solutions are obtained for the nonconvex MINLP problems based on a key property that arises due to the special structure of the resulting models. Comparisons with earlier approaches are also presented. (C) 2001 Elsevier Science Ltd. All rights reserved. [References: 19] 19},
\r
10494 keywords = {Design and scheduling. Multipurpose batch process. Continuous-time
\r
10495 formulation. Milp. Minlp.
\r
10496 Differentiable constrained nlps. Global optimization method. Alpha-bb.
\r
10497 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
10503 @article{Ling1965,
\r
10504 author = {Ling, C.M.},
\r
10505 title = {Representation of associative functions},
\r
10506 journal = {Publ. Math. Debrecen},
\r
10508 pages = {189-212},
\r
10512 author = {Linge, J.P. and O'Donoghue, S.I. and Nilges, M.},
\r
10513 title = {Automated assignment of ambiguous nuclear Overhauser effects with ARIA},
\r
10514 journal = {Methods Enzymol.},
\r
10520 author = {Linhananta, A. and Lim, K.F.},
\r
10521 title = {Quasiclassical trajectory calculations of collisional energy transfer: The methyl internal rotor in ethane},
\r
10522 journal = {Phys. Chem. Chem. Phys.},
\r
10525 pages = {3467-3472},
\r
10526 keywords = {classical trajectory (CT)
\r
10527 collisional energy transfer (CET)
\r
10530 quasiclassical trajectory (QCT)
\r
10532 molecular dynamics (MD)
\r
10533 rotational energy transfer (RET)
\r
10534 vibrational energy transfer (VET)},
\r
10538 author = {Linhananta, A. and Lim, K.F.},
\r
10539 title = {Quasiclassical trajectory calculations of collisional energy transfer in propane systems},
\r
10540 journal = {Phys. Chem. Chem. Phys.},
\r
10543 pages = {1385-1392},
\r
10544 abstract = {Quasiclassical trajectory calculations of collisional energy transfer (CET) and rotational energy transfer from highly vibrationally excited propane to rare bath gases are reported. The calculations employed atom-atom pairwise-additive Lennard-Jones, Buckingham-exponential and hard-sphere intermolecular potentials to examine the dependence of CET on the intermolecular potential and to establish a protocol for future work on larger alkane systems. The role of the torsional (internal) and molecular (external) rotors in the energy-transfer mechanism were investigated. Comparison of the results with our earlier work on ethane+neon systems [Phys. Chem. Chem. Phys. 1999, 1, 3467] suggests that the internal and external rotors play a significant role in the deactivation mechanism for highly vibrationally excited alkanes.},
\r
10545 keywords = {classical trajectory (CT)
\r
10546 collisional energy transfer (CET)
\r
10549 quasiclassical trajectory (QCT)
\r
10551 molecular dynamics (MD)
\r
10552 rotational energy transfer (RET)
\r
10553 vibrational energy transfer (VET)},
\r
10557 author = {Linhananta, A. and Lim, K.F.},
\r
10558 title = {Quasiclassical trajectory calculations of collisional energy transfer in propane systems: Multiple direct-encounter hard-sphere model},
\r
10559 journal = {Physical Chemistry Chemical Physics},
\r
10562 pages = {577-585},
\r
10563 abstract = {Quasiclassical trajectory calculations of collisional energy transfer from highly vibrationally excited propane + rare gas systems are reported. This work extends our hard-sphere model (A. Linhananta and K. F. Lim, Phys. Chem. Chem. Phys., 2000, 2, 1385) to examine the variation of the internal energy during collisions with a rare bath gas. This was accomplished by recording the vibrational and rotational energy of propane after each atom–atom encounter during trajectory simulations of propane + rare gas systems. This provides detailed information of the energy flow during a collision. It was found that collisions with small number of encounters transfer energy efficiently, whereas those with many encounters do not. Detailed analyses reveal that the former collisions arise from trajectories with high initial impact parameter, whereas the latter have small initial impact parameter. The reason behind this is the dependence of collision energy transfer (CET) of large polyatomic molecules on their shape. This is connected to the well-known role of rotational energy transfer (RET) as a gateway for CET.},
\r
10564 keywords = {classical trajectory (CT)
\r
10565 collisional energy transfer (CET)
\r
10568 quasiclassical trajectory (QCT)
\r
10570 molecular dynamics (MD)
\r
10571 rotational energy transfer (RET)
\r
10572 vibrational energy transfer (VET)},
\r
10576 author = {Lipkowitz, K.B. and Boyd, D.B.},
\r
10577 title = {Reviews in Computational Chemistry},
\r
10578 publisher = {Wiley-VCH},
\r
10579 address = {New York},
\r
10581 keywords = {standard review},
\r
10582 year = {1990-2001}
\r
10585 author = {Liu, Chih-Wen and Liu, Chun-Chang and Hsiao, Ying-Tung and Jwo, Wu-Shun},
\r
10586 title = {A fast global optimization approach to VAR planning for the large scale electric power systems},
\r
10587 journal = {IEEE Transactions on Power Systems},
\r
10590 pages = {p437(7)},
\r
10591 abstract = {In this paper, an innovative fast global optimization technique, Hybrid Partial Gradient Descent/Simulated Annealing(HPGDSA), for optimal VAR planning is presented. The HPGDSA is introduced to search the global optimal solution considering both quality and speed at the same time. The basic idea of the HPGDSA is that partial gradient descent and simulated annealing alternate with each other such that it reduces the CPU time of the conventional Simulated Annealing(SA) method while retaining the main characteristics of SA, i.e., the ability to get the global optimal solution. The HPGDSA was applied to a practical power system, Taiwan Power System(Tai-Power System), with satisfactory results.},
\r
10592 keywords = {Electric power systems Models
\r
10593 Electric power production Planning
\r
10594 Mathematical optimization Technique},
\r
10598 author = {Liu, Q. and Cao, Z.Q. and Shen, Q. and Dou, X. and Chen, Y.},
\r
10599 title = {Analysis of planar waveguides with index discontinuity or index slope discontinuity},
\r
10600 journal = {Optical and Quantum Electronics},
\r
10602 pages = {675-683},
\r
10606 author = {Liu, W. B. and Floudas, C. A.},
\r
10607 title = {Generalized Primal-Relaxed Dual Approach for Global Optimization},
\r
10608 journal = {Journal of Optimization Theory and Applications},
\r
10611 pages = {417-434},
\r
10612 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
10613 Reprint available from: Liu WB UNIV KENT INST MATH and STAT CANTERBURY KENT ENGLAND PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0010},
\r
10614 abstract = {A generalized primal-relaxed dual algorithm for global optimization is proposed and its convergence is proved. The (GOP) algorithm of Floudas and Visweswaran (Refs. 1-2) is shown to be a special case of this general algorithm. Within the proposed framework, the algorithm of Floudas and Visweswaran (Refs. 1-2) is further extended to the nonsmooth case. A penalty implementation of the extended (GOP) algorithm is studied to improve its efficiency. [References: 18] 18},
\r
10615 keywords = {Global optimization. Primal-relaxed dual approach. Penalty methods.
\r
10616 Nonsmooth optimization.
\r
10619 Reprint available from: Liu WB. UNIV KENT, INST MATH and STAT, CANTERBURY,
\r
10624 @article{Liu2005_IJGS,
\r
10625 author = {Liu, X.},
\r
10626 title = {On the properties of equidifferent {RIM} quantifier with generating function},
\r
10627 journal = {Int. J. General Syst},
\r
10629 pages = {579-594},
\r
10633 @article{Liu2006_IJARa,
\r
10634 author = {Liu, X.},
\r
10635 title = {On the properties of equidifferent {OWA} operator },
\r
10636 journal = {Int. J. Approx. Reasoning},
\r
10638 pages = {90-107},
\r
10642 @article{Liu2006_IJAR,
\r
10643 author = {Liu, X.},
\r
10644 title = {The solution equivalence of minimax disparity and minimum variance problems for {OWA} operators},
\r
10645 journal = {Int. J. Approx. Reasoning},
\r
10651 @article{Liu2004_IJAR,
\r
10652 author = {Liu, X. and Chen, L.},
\r
10653 title = {On the properties of parametric geometric {OWA} operator },
\r
10654 journal = {Int. J. Approx. Reasoning},
\r
10656 pages = {163-178},
\r
10660 author = {Liu, X. W. and Lou, H. W.},
\r
10661 title = {On the equivalence of some approaches to the OWA operator and RIM quantifier determination},
\r
10662 journal = {Fuzzy Sets and Systems},
\r
10665 pages = {1673-1688},
\r
10666 note = {ISI Document Delivery No.: 314PD
\r
10668 Cited Reference Count: 35
\r
10669 Liu, Xinwang Lou, Hongwei
\r
10670 ELSEVIER SCIENCE BV},
\r
10671 abstract = {The ordered weighted averaging (OWA) operator is a widely used aggregation method, and its determination is usually a prerequisite step in many related applications. The regular increasing monotone (RIM) quantifier can be seen as the continuous case of the OWA operator with the quantifier aggregation method. Some approaches with optimization criteria for the determination of OWA operator and RIM quantifier were proposed. Although these problems look different at the first sight, a deeper investigation can reveal the equivalence of solutions between them. Inspired by the solution equivalence of minimum variance problems and minimax disparity problem for OWA operator, we propose the minimax disparity RIM quantifier problem and two minimax ratio problems for OWA operator and RIM quantifier, respectively. We investigate the equivalence of solutions for the maximum entropy and minimax ratio problems, and solutions for the minimum variance and minimax disparity problems of OWA operator and RIM quantifier, respectively, by a theoretical point of view. (C) 2007 Elsevier B.V. All rights reserved.},
\r
10672 keywords = {aggregation operator
\r
10677 minimax disparity
\r
10680 MINIMAX DISPARITY
\r
10688 author = {Liwo, Adam and Lee, Jooyoung and Ripoll, Daniel R. and Pillardy, Jaroslaw and Scheraga, Harold A.},
\r
10689 title = {Protein structure prediction by global optimization of a potential energy function},
\r
10690 journal = {Proceedings of the National Academy of Sciences of the United States},
\r
10693 pages = {5482(4)},
\r
10694 abstract = {An approach based exclusively on finding the global minimum of an appropriate potential energy function has been used to predict the unknown structures of five globular proteins with sizes ranging from 89 to 140 amino acid residues. Comparison of the computed lowest-energy structures of two of them (HDEA and MarA) with the crystal structures, released by the Protein Data Bank after the predictions were made, shows that large fragments (61 residues) of both proteins were predicted with rms deviations of 4.2 and 6.0 [Angstrom] for the [C.sup.[Alpha]] atoms, for HDEA and MarA, respectively. This represents 80% and 53% of the observed structures of HDEA and MarA, respectively. Similar rms deviations were obtained for [approximately]60-residue fragments of the other three proteins. These results constitute an important step toward the prediction of protein structure based solely on global optimization of a potential energy function for a given amino acid sequence.},
\r
10695 keywords = {Proteins Structure
\r
10696 Amino acids Research},
\r
10700 author = {Lo, Chihsiung and Papalambros, P. Y.},
\r
10701 title = {A convex cutting plane algorithm for global solution of generalized polynomial optimal design models},
\r
10702 journal = {Journal of Mechanical Design},
\r
10705 pages = {p82(7)},
\r
10706 abstract = {Global optimization algorithms for generalized polynomial design models using a global feasible search approach was discussed in a previous article. A new convex cutting plane algorithm (CONCUT) based on global feasible search and with improved performance is presented in this sequel article. Computational results of the CONCUT algorithm compared to one using linear cuts (LINCUT) are given for various test problems. A speed reducer design example illustrates the application of the algorithms.},
\r
10707 keywords = {Convex surfaces Research
\r
10708 Polynomials Research
\r
10709 Structural optimization Research},
\r
10713 author = {Lo, Chihsiung and Papalambros, P. Y.},
\r
10714 title = {A deterministic global design optimization method for nonconvex generalized polynomial problems},
\r
10715 journal = {Journal of Mechanical Design},
\r
10718 pages = {p75(7)},
\r
10719 abstract = {A new design optimization method is described for finding global solutions of models with a nonconvex objective function and nonlinear constraints. All functions are assumed to be generalized polynomials. By introducing new variables, the original model is transformed into one with a linear objective function, one convex and one reversed convex constraint. A two-phase algorithm that includes global feasible search and local optimal search is used for globally optimizing the transformed model. Several examples illustrate the method.},
\r
10720 keywords = {Polynomials Research
\r
10721 Structural optimization Research},
\r
10725 @article{Locatelli2002_COA,
\r
10726 author = {Locatelli, M. and Schoen, F.},
\r
10727 title = {Fast global optimization of difficult Lennard-Jones clusters},
\r
10728 journal = {Computational Optimization and Applications},
\r
10734 @article{Loose2006_nature,
\r
10735 author = {Loose, C. and Jensen, K. and Rigoutsos, I. and Stephanopoulos, G.},
\r
10736 title = {A linguistic model for the rational design of antimicrobial peptides},
\r
10737 journal = {Nature},
\r
10739 pages = {867-869 },
\r
10743 author = {Luenberger, David G.},
\r
10744 title = {Optimization by vector space methods},
\r
10745 publisher = {Wiley},
\r
10746 address = {New York,},
\r
10747 series = {Series in decision and control.},
\r
10748 note = {[by] David G. Luenberger.
\r
10749 Bibliography: p. 312-319.},
\r
10750 keywords = {Mathematical optimization.
\r
10752 Linear topological spaces.},
\r
10756 @article{Luescher1994_ranlux,
\r
10757 author = {Luescher, M.},
\r
10758 title = {A portable high-quality random number generator for lattice field theory calculations},
\r
10759 journal = {Computer Physics Communications},
\r
10761 pages = {100-110},
\r
10765 @book{Luneburg1964,
\r
10766 author = {Luneburg, R.K.},
\r
10767 title = {Mathematical theory of optics},
\r
10768 publisher = {University of California Press},
\r
10769 address = {Berkeley},
\r
10773 @article{Luxburg2004_JMLR,
\r
10774 author = {Luxburg, U. and Bousquet, O.},
\r
10775 title = {Distance-based classification with Lipschitz functions},
\r
10776 journal = {J. of Machine Learning Research},
\r
10778 pages = {669-695},
\r
10782 author = {Luyben, M. L. and Floudas, C. A.},
\r
10783 title = {Analyzing the Interaction of Design and Control. 1. A Multiobjective Framework and Application to Binary Distillation Synthesis},
\r
10784 journal = {Computers and Chemical Engineering},
\r
10787 pages = {933-969},
\r
10788 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
10789 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0006},
\r
10790 abstract = {The design of a process determines the properties of variable interaction, disturbance rejection, and set-point tracking which comprise its inherent controllability. Process synthesis usually focuses on optimizing an economic objective without consideration of controllability. This paper outlines and illustrates a systematic procedure for incorporating open-loop steady-state controllability measures within the mathematical programming approach of process synthesis. This approach translates a superstructure of design alternatives into a multiobjective mixed-integer nonlinear (MINLP) optimization problem. With the flowsheet unknown a priori, the formulation requires expressions for the steady-state economic and control objectives in terms of the unknown design variables. Use of the epsilon-constraint method within the framework of the Generalized Benders Decomposition algorithm generates the noninferior solution set. A multiobjective optimization algorithm based on cutting planes determines a best-compromise solution among the various design and control objectives using as trade-off weights the partial derivative information from the noninferior set. The proposed procedure is then applied in binary distillation synthesis to consider multiple objectives for the RV control configuration, to examine different control configurations, and to deal with heat-integrated columns. Closed-loop dynamic simulations compare the responses of columns identified in the optimization. [References: 52] 52},
\r
10791 keywords = {Resilient processing plants. Dynamic optimization. Chemical-plants.
\r
10792 Columns. Reactors.
\r
10794 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
10795 PRINCETON, NJ 08544, USA.},
\r
10799 author = {Luyben, M. L. and Floudas, C. A.},
\r
10800 title = {Analyzing the Interaction of Design and Control. 2. Reactor Separator Recycle System},
\r
10801 journal = {Computers and Chemical Engineering},
\r
10804 pages = {971-994},
\r
10805 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
10806 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0007},
\r
10807 abstract = {Part 1 presented a systematic procedure to analyze the interaction of design and control at the process synthesis stage by incorporating both steady-state economic and open-loop controllability measures within a multiobjective mixed-integer nonlinear optimization problem. Part 2 applies this framework to study the design of a system consisting of an isothermal reactor followed by a distillation column, whose distillate stream recycles back to the reactor. For this particular flowsheet, the resulting optimization can be written as a nonlinear programming (NLP) problem. A comparison of alternative designs shows that leaving the reactor and recycle stream compositions as variables in the NLP significantly reduces the cost compared with the cost of designs when these compositions are fixed. Economic considerations drive the optimal solution toward a larger reactor with lower reactant composition and toward a stripper column with lower vapor boilup. The derivation of steady-state gain expressions relating the product compositions in the column to manipulated and disturbance variables allows the incorporation of controllability measures within the NLP. Generation of the noninferior solution sets shows the quantitative trade-off between the steady-state economic and controllability objectives. In general, process controllability measures improve as the reactor holdup decreases and as the number of trays in the column increases, but the opposite changes improve the disturbance controllability measures. Closed-loop dynamic simulations compare the responses of several designs identified in the optimization. [References: 19] 19},
\r
10808 keywords = {Dynamics.
\r
10810 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
10811 PRINCETON, NJ 08544, USA.},
\r
10815 @article{LSch1973,
\r
10816 author = {Lyche, Tom and Schumaker, Larry L.},
\r
10817 title = {Computation of Smoothing and Interpolating Natural Splines Via Local Bases},
\r
10818 journal = {SIAM Journal on Numerical Analysis},
\r
10821 pages = {1027-1038},
\r
10822 abstract = {It is shown how smoothing splines can be represented in terms of a local basis, and that the coefficients can be obtained by solution of a banded linear system. Recursion relations are developed which permit rapid and accurate calculation of the necessary basis elements.},
\r
10826 @article{Lyche1973,
\r
10827 author = {Lyche, T. and Schumaker, L. L.},
\r
10828 title = {Computation of smoothing and interpolating natural splines via local bases},
\r
10829 journal = {SIAM J. Numer. Anal.},
\r
10831 pages = {1027-1038},
\r
10835 @article{LSch1974,
\r
10836 author = {Lyche, Tom and Schumaker, Larry L.},
\r
10837 title = {Procedures for computing smoothing and interpolating natural splines},
\r
10838 journal = {Commun. ACM},
\r
10841 pages = {463-467},
\r
10845 author = {Machida, Katsunosuke},
\r
10846 title = {Principles of Molecular Mechanics},
\r
10847 publisher = {Wiley},
\r
10848 address = {New York},
\r
10849 keywords = {Molecular structure
\r
10850 molecular mechanics (MM)
\r
10851 molecular modelling
\r
10852 potential energy surface (PES)
\r
10854 computers in chemistry
\r
10856 computational chemistry},
\r
10860 @article{Mackey1977_science,
\r
10861 author = {Mackey, M.C. and Glass, L.},
\r
10862 title = {Oscillation and Chaos in Physiological Control Systems},
\r
10863 journal = {Science},
\r
10865 pages = {287-289},
\r
10869 @inproceedings{Maes2005_EUSFLAT,
\r
10870 author = {Maes, K. and Saminger, S. and De Baets, B.},
\r
10871 title = {On the characterization of self-dual aggregation operators},
\r
10872 booktitle = {EUSFLAT 2005},
\r
10873 editor = {Montseny, E. and Sobrevilla, P.},
\r
10874 address = {Barcelona, Spain},
\r
10875 publisher = {European Society for Fuzzy Logic and Technology},
\r
10876 pages = {159--164},
\r
10880 author = {Makela, M.M. and Neittaanmaki, P.},
\r
10881 title = {Nonsmooth Optimization: Analysis and Algorithms With Applications to Optimal Control},
\r
10882 publisher = {World Scientific},
\r
10883 address = {River Edge, NJ},
\r
10888 author = {Makhorin, A.},
\r
10889 title = {GNU Linear Programming Kit},
\r
10894 @article{Mammadov2007_OMS,
\r
10895 author = {Mammadov, M. and Rubinov, A. and Yearwood, J.},
\r
10896 title = {The study of drug–reaction relationships using global optimization techniques},
\r
10897 journal = {Optimization Methods and Software},
\r
10899 pages = {99-126},
\r
10903 @inproceedings{Mammadov2004_ICOTA,
\r
10904 author = {Mammadov, M.A. },
\r
10905 title = {A new global optimization algorithm based on dynamical systems approach},
\r
10906 booktitle = {6th Intl Conf. on Optimization: Techniques and Applications},
\r
10907 editor = {Rubinov, A. and Sniedovich, M.},
\r
10908 address = {Ballarat},
\r
10909 publisher = {University of Ballarat},
\r
10913 @article{Mammadov2005_PJO,
\r
10914 author = {Mammadov, M.A. and Orsi, R.},
\r
10915 title = {H_infinity systhesis via a nonsmooth, nonconvex optimization approach},
\r
10916 journal = {Pacific Journal of Optimization},
\r
10918 pages = {405-420},
\r
10922 @incollection{Mammadov2005_involume,
\r
10923 author = {Mammadov, M.A. and Rubinov, A. and Yearwood, J.},
\r
10924 title = {Dynamical systems described by relational elasticities with applications to global optimization},
\r
10925 booktitle = {Continuous Optimisation: Current Trends and Modern Applications},
\r
10926 editor = {Rubinov, A. and Jeyakumar, V.},
\r
10927 publisher = {Springer},
\r
10928 address = {New York},
\r
10929 pages = {365-385},
\r
10933 author = {Mangasarian, O. L.},
\r
10934 title = {Mathematical programming in neural networks},
\r
10935 journal = {ORSA Journal on Computing},
\r
10937 pages = {349--360},
\r
10941 author = {Mannhold, R. and Kubinyi, H. and Folkers, G. and Zerbe, O.},
\r
10942 title = {BioNMR in Drug Research},
\r
10943 publisher = {Wiley},
\r
10944 note = {Table of Contents:
\r
10946 Modern Methods for Expression of Proteins in Isotopically Enriched Form
\r
10947 Structure Calculation Using Automated Techniques
\r
10948 Achieving Better Sensitivity, Less Noise and Less Artifacts in NMR Spectra
\r
10949 NMR OF BIOMOLECULES
\r
10950 NMR Strategies for Protein Assignment
\r
10951 NMR of Membrane-Associated Peptides and Proteins
\r
10952 NMR of Nucleic Acids
\r
10953 MODERN SPECTROSCOPIC TECHNIQUES
\r
10954 Methods for the Measurement of Angle Restraints from Scalar and Dipolar Couplings as well as from Cross Correlated Relaxation: Application to Biomolecules
\r
10955 Orientational Restraints
\r
10956 Scalar Coupling Across Hydrogen Bonds
\r
10957 TROSY:Transverse Relaxation-Optimized Spectroscopy
\r
10958 MAS Solid-State NMR of Isotopically Enriched Biological Samples
\r
10959 Determination of Protein Dynamics Using 15N Relaxation Measurements
\r
10960 TOOLS FOR INVESTIGATION OF DRUG-RECEPTOR COMPLEXES AND FOR LIGAND SCREENING
\r
10961 The Determination of Equilibrium Dissociation Constants of Protein-Ligand Complexes by NMR
\r
10962 Experiments in NMR-based Screening
\r
10963 The Use of Spin-Labels in NMR-supported Lead Finding and Optimization
\r
10964 NMR of Weakly Binding Ligands
\r
10965 Isotope Filter and Editing Techniques
\r
10966 STRATEGIES FOR DRUG DEVELOPMENT USING NMR
\r
10967 Strategies for NMR Screening and Library Design
\r
10968 Strategies for Hit Finding Using NMR
\r
10969 Strategies for Drug Discovery Using NMR
\r
10970 NMR-based Drug Design: Approaches for Very Large Proteins},
\r
10971 abstract = {Thanks to the vast progress made in the investigation of biomolecules using NMR over the last few years, NMR spectroscopy offers a universal tool for examining the binding of an active substance to its target protein. Its use thereby benefits the rational development of drugs. This interaction can now be investigated in a hitherto unparalleled precision and displayed in 3D - an important prerequisite for the targeted development of new active substances. Thus it comes as no surprise that a large number of the authors are working for leading pharmaceutical companies. The book presents the theoretical background on NMR of biomolecules, plus the use of NMR techniques in determining the structures of proteins and nucleic acids. The latest methods for characterizing substance-receptor complexes are demonstrated backed by many case studies from pharmaceutical research.
\r
10973 With its successful mixture of basic information and application strategies, coupled with many real-life examples, this is an invaluable guide for both NMR spectroscopists and pharmaceutical researchers.},
\r
10974 keywords = {protein
\r
10975 nuclear magnetic resonance (NMR)
\r
10980 author = {Maranas, C.D. and Androulakis, I.P. and Floudas, C.A.},
\r
10981 title = {A deterministic global optimization approach for the protein folding problem},
\r
10982 booktitle = {Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding},
\r
10983 editor = {Pardalos, P. M. and Shalloway, D. and Xue, G.},
\r
10984 series = {DIMACS Series in Discrete Mathematics and Theoretical Computer Science},
\r
10985 publisher = {American Mathematical Society},
\r
10987 pages = {133-150},
\r
10988 abstract = {A deterministic global optimization algorithm is proposed for locating the global minimumpotential energy conformations of oligopeptide chains. The ECEPP/3 detailed potential energy model is utilized to model the energetics of the atomic interactions. The minimization of the total potential energy is formulated on the set of peptide dihedral angles. Based on previous work on the microcluster and molecular structure determination, a procedure for deriving convex lower bounding functions for the total potential energy function is utilized which involves a number of important properties. The global optimization algorithm alpha-BB which has been shown to be epsilon-{convergent to the global minimum potential energy conformation through the solution of a series of nonlinear convex optimization problems is utilized. The ECEPP/3 potential model is interfaced with alpha-BB in the program GLOFOLD, and provisions have been made to accommodate user specified partitioning of the dihedral angles into three sets. The first one (i.e., global variables), consists of dihedral angles where branching occurs. The second set (i.e., local variables) includes the dihedral variables where branching is not necessary. The third set, (i.e., fixed variables) includes the dihedral angles which are kept fixed. The proposed deterministic global optimization is applied on a number of oligopeptide folding problems.},
\r
10989 keywords = {American Mathematical Society (AMS)
\r
10990 global optimization},
\r
10994 author = {Maranas, C. D. and Androulakis, I. P. and Floudas, C. A. and Berger, A. J. and Mulvey, J. M.},
\r
10995 title = {Solving Long-Term Financial Planning Problems Via Global Optimization},
\r
10996 journal = {Journal of Economic Dynamics and Control},
\r
10999 pages = {1405-1425},
\r
11000 note = {Current Contents/Social and Behavioral Sciences
\r
11001 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CIVIL ENGN and OPERAT RES PRINCETON, NJ 08544 USA},
\r
11002 abstract = {A significant multi-stage financial planning problem is posed as a stochastic program with decision rules. The decision rule - called dynamically balanced - requires the purchase and sale of assets at each time stage so as to keep constant asset proportions in the portfolio composition. It leads to a nonconvex objective function. We show that the rule performs well as compared with other dynamic investment strategies. We specialize a global optimization algorithm for this problem class - guaranteeing finite E-optimal convergence. Computational results demonstrate the procedure's efficiency on a real-world financial planning problem. The tests confirm that local optimizers are prone to erroneously underestimate the efficient frontier. The concepts can be readily extended for other classes of long-term investment strategies. [References: 25]},
\r
11003 keywords = {Global optimization algorithm. Financial planning problems. Fixed-mix
\r
11005 Portfolio selection. Algorithm. Model.
\r
11010 author = {Maranas, C. D. and Floudas, C. A.},
\r
11011 title = {Global optimization for molecular conformation problems},
\r
11012 journal = {Annals of Operations Research},
\r
11013 pages = {85-117},
\r
11014 keywords = {Multiple-minima problem. Nuclear-magnetic-resonance. Monte-carlo
\r
11015 method. Statistical-mechanical procedure. Diffusion equation method.
\r
11016 Interproton distance restraints. Incremental pulse search.
\r
11017 Conformational-analysis. Protein-structure. Energy-minimization.
\r
11018 Physical chemistry/chemical physics.
\r
11019 Reprint available from: Maranas CD. PRINCETON UNIV, DEPT CHEM ENGN,
\r
11020 PRINCETON, NJ 08544, USA.},
\r
11024 author = {Maranas, C. D. and Floudas, C. A.},
\r
11025 title = {A deterministic global optimization approach for molecular structure determination},
\r
11026 journal = {Journal of Chemical Physics},
\r
11029 pages = {1247-1261},
\r
11030 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
11031 Reprint available from: Maranas CD PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0051},
\r
11032 abstract = {A deterministic global optimization algorithm is introduced for locating global. minimum potential energy molecular conformations. The proposed branch and bound type algorithm attains finite epsilon-convergence to the global minimum through the successive refinement of converging lower and upper bounds on the solution. These bounds are obtained through a novel convex lowering bounding of the total potential function and the subsequent solution of a series of nonlinear convex optimization problems; The minimization of the total potential energy function is performed on an independent set of internal coordinates involving only dihedral angles. A number of example problems illustrate the proposed approach. [References: 108] 108},
\r
11033 keywords = {review
\r
11034 Multiple-minima problem. Nuclear-magnetic-resonance. Monte-carlo
\r
11035 method. Statistical-mechanical procedure. Diffusion equation method.
\r
11036 Interproton distance restraints. Incremental pulse search.
\r
11037 Conformational-analysis. Protein-structure. Energy-minimization.
\r
11038 Physical chemistry/chemical physics.
\r
11039 Reprint available from: Maranas CD. PRINCETON UNIV, DEPT CHEM ENGN,
\r
11040 PRINCETON, NJ 08544, USA.},
\r
11044 author = {Maranas, C. D. and Floudas, C. A.},
\r
11045 title = {Global Optimization in Generalized Geometric Programming},
\r
11046 journal = {Computers and Chemical Engineering},
\r
11049 pages = {351-369},
\r
11050 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
11051 Reprint available from: Maranas CD PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
11052 abstract = {A deterministic global optimization algorithm is proposed for locating the global minimum of generalized geometric (signomial) problems (GGP). By utilizing an exponential variable transformation the initial nonconvex problem (GGP) is reduced to a (DC) programming problem where both the constraints and the objective are decomposed into the difference of two convex functions. A convex relaxation of problem (DC) is then obtained based on the linear lower bounding of the concave parts of the objective function and constraints inside some box region. The proposed branch and bound type algorithm attains finite E-convergence to the global minimum through the successive refinement of a convex relaxation of the feasible region and/or of the objective function and the subsequent solution of a series of nonlinear convex optimization problems. The efficiency of the proposed approach is enhanced by eliminating variables through monotonicity analysis, by maintaining tightly bound variables through rescaling, by further improving the supplied variable bounds through convex minimization, and finally by transforming each inequality constraint so as the concave part lower bounding is as tight as possible. The proposed approach is illustrated with a large number of test examples and robust stability analysis problems. Copyright (C) 1996 Elsevier Science Ltd [References: 50]},
\r
11053 keywords = {Global optimization. Generalized geometric programming. Signomials.
\r
11054 Robust stability analysis.
\r
11055 Constraints. Design.
\r
11056 Chemical engineering.},
\r
11060 author = {Maranas, C. D. and McDonald, C. M. and Harding, S. T. and Floudas, C. A.},
\r
11061 title = {Locating All Azeotropes in Homogeneous Azeotropic Systems},
\r
11062 journal = {Computers and Chemical Engineering},
\r
11064 number = {Suppl A},
\r
11065 pages = {S 413-S 418},
\r
11066 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
11067 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0070},
\r
11068 abstract = {A global optimization based approach for finding all homogeneous azeotropes in multicomponent mixtures is presented. The global optimization approach is based on a branch and bound framework in which upper and lower bounds on the solution are refined by successively partitioning the target region into small disjoint rectangles. The objective of such an approach is to locate all global minima since each global minimum corresponds to an homogeneous azeotrope. The global optimization problem is formulated from the thermodynamic criteria for azeotropy, which involve highly nonlinear and nonconvex expressions. The success of this approach depends upon constructing valid convex lower bounds for each nonconvex function in the constraints. The convex lower bounding procedure is demonstrated with the Wilson activity coefficient equation. The global optimization approach is illustrated in an example problem. [References: 11] 11},
\r
11069 keywords = {Fluid mixtures. Algorithm.
\r
11070 Chemical engineering.
\r
11071 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
11072 PRINCETON, NJ 08544, USA.},
\r
11076 @article{Marazzi2004,
\r
11077 author = {Marazzi, A. and Yohai, V.J},
\r
11078 title = {Adaptively truncated maximum likelihood regression with asymmetric errors},
\r
11079 journal = {Journal of Statistical Planning and Inference},
\r
11082 pages = {271-291 },
\r
11083 abstract = {We consider robust estimators for the linear regression model with asymmetric (or symmetric) error distribution. We assume that the error model belongs to a location-scale family of distributions. Since in the asymmetric case the mean response is very often the parameter of interest and scale is a main component of mean, we do not assume that scale is a nuisance parameter. First, we show how to convert an ordinary robust estimate for the usual model with symmetric errors to an estimate for the more general model with asymmetric errors. Then, in order to improve efficiency, we introduce the truncated maximum likelihood or TML-estimator. A TML-estimate is computed in three steps: first, an initial high breakdown point estimate is computed; then, observations that are unlikely under the estimated model are rejected; finally, the maximum likelihood estimate is computed with the retained observations. The rejection rule used in the second step is based on a cut-off parameter that can be tuned to attain the desired efficiency while maintaining the breakdown point of the initial estimator (e.g., 50%). Optionally, one can use a new adaptive cut-off that, asymptotically, does not reject any observation when the data are generated according to the model. Under the model, the influence function of this adaptive TML-estimator (or ATML-estimator) coincides with the influence function of the maximum likelihood estimator. The ATML-estimator is, therefore, fully efficient at the model; nevertheless, its breakdown point is not smaller than the breakdown point of the initial estimator. We evaluate the TML- and ATML-estimators for finite sample sizes with the help of simulations and discuss an example with real data.},
\r
11087 author = {Marichal, J-L.},
\r
11088 title = {An axiomatic approach of the discrete Choquet integral as a tool to aggregate interacting criteria},
\r
11089 journal = {IEEE Trans. on Fuzzy Syst.},
\r
11091 pages = {800--807},
\r
11095 @incollection{Marichal2000_invol,
\r
11096 author = {Marichal, J.-L.},
\r
11097 title = {On {C}hoquet and {S}ugeno integrals as agregation functions},
\r
11098 booktitle = {Fuzzy measures and integrals.Theory and Applications.},
\r
11099 editor = {Grabisch, M. and Murofushi, T. and Sugeno, M.},
\r
11100 publisher = {Physica-Verlag},
\r
11101 address = {Heidelberg},
\r
11102 pages = {247-272},
\r
11106 @article{Marichal2000_FSS,
\r
11107 author = {Marichal, J.-L.},
\r
11108 title = {On {S}ugeno integral as an aggregation function},
\r
11109 journal = {Fuzzy Sets and Systems},
\r
11111 pages = {347-365},
\r
11115 @incollection{Marichal2002_invol,
\r
11116 author = {Marichal, J.-L.},
\r
11117 title = {Aggregation of interacting criteria by means of the discrete {C}hoquet integral},
\r
11118 booktitle = {Aggregation Operators. New Trends and Applications},
\r
11119 editor = {Calvo, T. and Mayor, G. and Mesiar, R.},
\r
11120 publisher = {Physica-Verlag},
\r
11121 address = {Heidelberg, New York},
\r
11122 pages = {224-244},
\r
11126 @article{Marichal2002_EJOR,
\r
11127 author = {Marichal, J.-L.},
\r
11128 title = {Entropy of discrete {C}hoquet capacities},
\r
11129 journal = {Europ. J. Oper. Res.},
\r
11131 pages = {612-624},
\r
11135 @article{Marichal2004_EJOR,
\r
11136 author = {Marichal, J.-L.},
\r
11137 title = {Tolerant or intolerant character of interacting criteria in aggregation by the {C}hoquet integral},
\r
11138 journal = {Europ. J. Operations Research},
\r
11140 pages = {771?791},
\r
11144 @article{Markowitz1952,
\r
11145 author = {Markowitz, H.M.},
\r
11146 title = {Portfolio selection},
\r
11147 journal = {Journal of Finance},
\r
11149 pages = {77 ?91},
\r
11153 @misc{MarkowskiONLINE,
\r
11154 author = {Markowski, B.R.},
\r
11155 title = {Concept of an open compound estimator in robust regression },
\r
11159 @misc{Markowski2010,
\r
11160 author = {Markowski, B.R.},
\r
11161 title = {Concept of an open compound estimator in robust regression},
\r
11162 abstract = {In the recent years efforts were made tuning up estimators with high breakdown point for simultaneous efficiency. Some of
\r
11163 the first authors who succeeded in establishing robust and really simultaneous high efficient estimators are Gervini and
\r
11164 Yohai (2002). With their reweighted least squares estimators (REWLSEs) the authors introduced, in order to gain
\r
11165 efficiency, a scheme of adaptive weighting in place of fixed cutoff values. Herein they nevertheless have to employ a fix
\r
11166 value as a quantile and a rejecting function, both considerable as subjective moments. M-estimators e.g. come along with
\r
11167 the necessity for suitably selected loss or weight functions thus possibly causing a subjective impact on the estimates. Thus
\r
11168 we had a twofold motivation for this work. Firstly to get off those potential subjective influences postulating a new kind of
\r
11169 robust estimators which we assign ‘natural’ and secondly to gain simultaneous efficiency realizing by constructing rather
\r
11170 than by treating residuals or improving an initial estimate. The latter we conceptually perform by averaging the estimates.
\r
11171 One ‘new kind’ estimator is the Least Median of Absolute Residuals according to the Least Median of Squares (LMS,
\r
11172 Rousseeuw, 1984). In order to show our algorithmic concept we introduce (and join to the previous) a new ’natural’
\r
11173 estimator based on the theory of runs. By means of this minimal compound we reach about 50% asymptotic relative
\r
11174 efficiency relating to the least squares estimation under normal conditions. This efficiency amount can become increased
\r
11175 with every new estimator of that kind involved, according our concept. Synthetic and real data examples are given.-},
\r
11179 @book{Maronna_book,
\r
11180 author = {Maronna, R. and Martin, R. and Yohai, V.},
\r
11181 title = {Robust Statistics: Theory and Methods},
\r
11182 publisher = {Wiley},
\r
11183 address = {New York},
\r
11187 @article{Marques2003_FSS,
\r
11188 author = {Marques Pereira, R.A. and Ribeiro, R.A.},
\r
11189 title = {Aggregation with generalized mixture operators using weighting functions},
\r
11190 journal = {Fuzzy Sets and Systems},
\r
11197 author = {Martín, J. and Mayor, G.},
\r
11198 title = {Multi-argument distances},
\r
11199 journal = {Fuzzy Sets and Systems},
\r
11200 volume = {In Press},
\r
11201 pages = {DOI: 10.1016/j.fss.2010.10.018},
\r
11202 note = {doi: DOI: 10.1016/j.fss.2010.10.018},
\r
11203 keywords = {Distance
\r
11206 Sum-based multidistance
\r
11211 author = {Martin, Y.C. and Bures, M.G. and Willett, P.},
\r
11212 title = {Searching databases of three-dimensional structures},
\r
11213 booktitle = {Reviews in Computational Chemistry},
\r
11214 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
11215 publisher = {VCH Publishers},
\r
11216 address = {New York},
\r
11218 pages = {213-263},
\r
11219 keywords = {standard review
\r
11220 molecular similarity
\r
11222 quantitative structure-activity relationship (QSAR)},
\r
11226 @article{Mas2007_TFS,
\r
11227 author = {Mas, M. and Monserrat, M. and Torrent, J. and Trillas, E.},
\r
11228 title = {A survey ofn fuzzy implication functions},
\r
11229 journal = {IEEE Trans. on Fuzzy Systems},
\r
11230 volume = {in press},
\r
11234 author = {Mason, T. and Beliakov, G.},
\r
11235 title = {Short/medium term production forecasting using non-linear time series by Lipschitz approximation},
\r
11236 booktitle = {11 Australian Optimisation Day },
\r
11237 editor = {Caccetta, L.},
\r
11238 address = {Perth},
\r
11242 @book{Masters1993_book,
\r
11243 author = {Masters, T.},
\r
11244 title = {Practical Neural Network Recipes in C++},
\r
11245 publisher = {Academic Press},
\r
11246 address = {Boston},
\r
11249 1 computer disk (5 1/4 in.)
\r
11250 System requirements for computer disk: PC; C++ compiler.
\r
11251 Includes bibliographical references (p. 479-490) and index.},
\r
11252 keywords = {Neural networks (Computer science)
\r
11253 C (Computer program language)},
\r
11257 author = {Masters, Timothy},
\r
11258 title = {Advanced algorithms for neural networks: a C++ sourcebook},
\r
11259 publisher = {Wiley},
\r
11260 address = {New York},
\r
11263 1 computer disk (3 1/2 in.)
\r
11264 1. Deterministic Optimization -- 2. Stochastic Optimization -- 3. Hybrid Training Algorithms -- 4. Probabilistic Neural Networks I: Introduction -- 5. Probabilistic Neural Networks II: Advanced Techniques -- 6. Generalized Regression -- 7. The Gram-Charlier Neural Network -- 8. Dimension Reduction and Orthogonalization -- 9. Assessing Generalization Ability -- 10. Using the PNN Program.
\r
11265 Includes bibliographical references (p. [407]-425) and index.
\r
11266 System requirements for accompanying computer disk: C++},
\r
11267 abstract = {This practical guide contains a wide variety of state-of-the-art algorithms that are useful in the design and implementation of neural networks. All algorithms are presented on both an intuitive and a theoretical level, with complete source code provided on an accompanying disk. Several training algorithms for multiple-layer feedforward networks (MLFN) are featured. The probabilistic neural network is extended to allow separate sigmas for each variable, and even separate sigma vectors for each class. The generalized regression neural network is similarly extended, and a fast second-order training algorithm for all of these models is provided. The book also discusses the recently developed Gram-Charlier neural network and provides important information on its strengths and weaknesses. Readers are shown several proven methods for reducing the dimensionality of the input data.},
\r
11268 keywords = {Neural networks (Computer science)
\r
11269 Computer algorithms.},
\r
11273 author = {Masters, Timothy},
\r
11274 title = {Neural, novel and hybrid algorithms for time series prediction},
\r
11275 publisher = {John Wiley and Sons},
\r
11276 note = {Timothy Masters.
\r
11277 Neural, novel, and hybrid algorithms for time series prediction.
\r
11278 1 computer laser optical disc (4 3/4 in.)
\r
11279 Includes bibliographical references (p. [489]-507) and index.},
\r
11280 keywords = {Neural networks (Computer science)
\r
11285 author = {Mathews, C.K. and van Holde, K.E. and Ahern, K.G.},
\r
11286 title = {Biochemistry},
\r
11287 publisher = {Addison Wesley Longman},
\r
11288 address = {San Francisco},
\r
11292 undergraduate education
\r
11293 undergraduate text},
\r
11297 @article{Mausser1999_Algo,
\r
11298 author = {Mausser, H. and Rosen, D.},
\r
11299 title = {Efficient risk/return frontiers for credit risk},
\r
11300 journal = {Algo Research Quarterly},
\r
11302 pages = {35 ?47},
\r
11306 @inproceedings{Mayor1997_IFSA,
\r
11307 author = {Mayor, G. and Calvo, T.},
\r
11308 title = {Extended aggregation functions},
\r
11309 booktitle = {IFSA'97},
\r
11310 address = {Prague},
\r
11312 pages = {281--285},
\r
11316 @article{Mayor2007_TFS,
\r
11317 author = {Mayor, G. and Monreal, J.},
\r
11318 title = {Additive Generators of Discrete Conjunctive Aggregation Operations},
\r
11319 journal = {IEEE Trans. on Fuzzy Systems},
\r
11320 volume = {in press},
\r
11324 @article{Mayor2007_TFS,
\r
11325 author = {Mayor, G. and Monreal, J.},
\r
11326 title = {Additive Generators of Discrete Conjunctive Aggregation Operations},
\r
11327 journal = {IEEE Trans. on Fuzzy Systems},
\r
11329 pages = {1046-1052},
\r
11333 @incollection{Mayor2005_invol,
\r
11334 author = {Mayor, G. and Torrens, J.},
\r
11335 title = {Triangular Norms on Discrete Settings},
\r
11336 booktitle = {Logical, Algebraic, Analytic and Probabilistic Aspects of Triangular Norms},
\r
11337 editor = {Klement, E.P. and Mesiar, R.},
\r
11338 publisher = {Elsevier},
\r
11339 address = {New York},
\r
11343 @article{McAllister1981_ACM,
\r
11344 author = {McAllister, D. F. and Roulier, J. A.},
\r
11345 title = {An algorithm for computing a shape-preserving oscillatory quadratic spline},
\r
11346 journal = {ACM Trans. Math. Software },
\r
11348 pages = {331-347},
\r
11352 @article{McAllRoul1981,
\r
11353 author = {McAllister, David F. and Roulier, John A.},
\r
11354 title = {An Algorithm for Computing a Shape-Preserving Osculatory Quadratic Spline},
\r
11355 journal = {ACM Trans. Math. Softw.},
\r
11358 pages = {331-347},
\r
11362 author = {McClintick, J. and Edenberg, H.J.},
\r
11363 title = {BlastReport: A Perl script to facilitate the use of sequence databases for mapping and clustering},
\r
11364 journal = {Biotechniques},
\r
11367 pages = {1272-1277},
\r
11368 keywords = {journal
\r
11371 basic local alignment search tool (BLAST)
\r
11372 National Center for Biotechnology Information (NCBI)
\r
11379 author = {McCormack, D.A. and Lim, K.F.},
\r
11380 title = {Reply to a Comment on: "The conservation of quantum zero-point energies in classical trajectory simulations" [J. Chem. Phys. 102, 1705 (1995)]},
\r
11381 journal = {J. Chem. Phys.},
\r
11384 pages = {1991-1992},
\r
11385 note = {P540.5/JOU;
\r
11386 see #1117 [K.F. Lim and D.A. McCormack, J. Chem. Phys., 102, 1705 (1995)];
\r
11387 see #1220 [C. Schlier, J. Chem. Phys., 103 (5), 1989–1990 (1995)]},
\r
11388 keywords = {molecular dynamics (MD)
\r
11390 constrained mechanics
\r
11391 Hénon-Heiles system
\r
11392 trajectory projection onto ZPE (TRAPZ) method
\r
11393 quasiclassical trajectory (QCT)},
\r
11397 author = {McCormack, D.A. and Lim, K.F.},
\r
11398 title = {The zero-point energy problem in classical trajectory simulations at dissociation threshold},
\r
11399 journal = {J. Chem. Phys.},
\r
11402 pages = {572-574},
\r
11403 note = {P540.5/JOU},
\r
11404 abstract = {Quasiclassical trajectory calculations offer a cost-effective means of investigating the dynamics of chemical reactions. However, they suffer from the zero-point energy (ZPE) problem, whereby the (quantum) ZPE motion can contribute to an overestimation of the rate coefficient. This paper reports on some dynamics of the Henon-Heiles system. Dynamics of the water molecule at energies just below the (quantum) dissociation threshold, are also reported. The TRAPZ method [Lim and McCormack, J. Chem. Phys. 102, 1705 (1995)] leads to a definite improvement over unconstrained classical mechanics.},
\r
11405 keywords = {molecular dynamics (MD)
\r
11407 constrained mechanics
\r
11408 Hénon-Heiles system
\r
11409 trajectory projection onto ZPE (TRAPZ) method
\r
11410 quasiclassical trajectory (QCT)
\r
11411 water dissociation},
\r
11415 author = {McCormack, D.A. and Lim, K.F.},
\r
11416 title = {Zero-point energy constraints in RRKM and non-RRKM molecules},
\r
11417 journal = {Phys. Chem. Chem. Phys.},
\r
11421 keywords = {Al3 Æ Al2 + Al
\r
11423 molecular dynamics (MD)
\r
11425 constrained mechanics
\r
11427 trajectory projection onto ZPE (TRAPZ) method
\r
11428 quasiclassical trajectory (QCT)},
\r
11432 author = {McDonald, C. and Floudas, C. A.},
\r
11433 title = {Global Optimization and Analysis for the Gibbs Free Energy Function Using the Unifac, Wilson, and Asog Equations},
\r
11434 journal = {Industrial and Engineering Chemistry Research},
\r
11437 pages = {1674-1687},
\r
11438 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
11439 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0020},
\r
11440 abstract = {The Wilson equation for the excess Gibbs energy has found wide use in successfully representing the behavior of polar and nonpolar multicomponent mixtures with only binary parameters but was incapable of predicting more than one liquid phase. The UNIFAC and ASOG group contribution methods do not have this limitation and can predict the presence of multiple liquid phases. The most important area of application of all these equations is in the prediction of phase equilibria. The calculation of phase equilibria involves two important problems: (i) the minimization of the Gibbs free energy and (ii) the tangent plane stability criterion. Problem ii, which can be implemented as the minimization of the tangent plane distance function, has found wide application in aiding the search for the global minimum of the Gibbs free energy. However, a drawback of all previous approaches is that they could not provide theoretical guarantees that the true equilibrium solution will be obtained. The goal of this work is to find the equilibrium solution corresponding to the global minimum of the Gibbs free energy. A proof that the Wilson equation leads to a convex formulation for the minimization of the Gibbs energy is provided so that a local optimization technique will always converge to a global minimum. In addition, new expressions are derived for the molar Gibbs free energy function when the UNIFAC, ASOG, and modified Wilson equations are employed. These expressions are then transformed so that application of a branch and bound based global optimization algorithm originally due to Falk and Soland (1969) is possible. This allows global solutions to be obtained for both the minimization of the Gibbs free energy and the minimization of the tangent plane distance function. The algorithm is implemented in C as part of the package GLOPEQ, global optimization for the phase equilibrium problem (McDonald and Floudas, 1994d). Results for several examples are presented. [References: 41] 41},
\r
11441 keywords = {Isothermal flash problem. Liquid-equilibria. Phase. Computation.
\r
11442 Multicomponent. Distillation. Algorithm. Mixtures. Systems.
\r
11443 Chemical engineering.
\r
11444 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
11445 PRINCETON, NJ 08544, USA.},
\r
11449 author = {McDonald, C. M. and Floudas, C. A.},
\r
11450 title = {Global Optimization for the Phase and Chemical Equilibrium Problem - Application to the Nrtl Equation},
\r
11451 journal = {Computers and Chemical Engineering},
\r
11454 pages = {1111-1139},
\r
11455 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
11456 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0001},
\r
11457 abstract = {Several approaches have been proposed for the computation of solutions to the phase and chemical equilibrium problem when the problem is posed as the minimization of the Gibbs free energy function. None of them can guarantee convergence to the true optimal solution, and are highly dependent on the supplied initial point. Convergence to local solutions often occurs, yielding incorrect phase and component distributions. This work examines the problems when the liquid phase is adequately modeled by the Non-Random Two Liquid (NRTL) activity coefficient expression and the vapor phase is assumed to be ideal. The contribution of the proposed approach is two-fold. Firstly, a novel and important property of the Gibbs free energy expression involving the NRTL equation is provided. It is subsequently shown that by introducing new variables, the problem can then be transformed into one where a biconvex objective function is minimized over a set of bilinear constraints. Secondly, the Global OPtimization (GOP) algorithm is used to exploit these induced properties of the formulation to guarantee convergence to an epsilon-global solution, regardless of the starting point. A geometrical interpretation is provided for a selected smaller, but challenging, example. Numerous examples are presented which demonstrate the broad applicability of the proposed approach. [References: 66] 66},
\r
11458 keywords = {3-phase azeotropic distillation. Thermodynamic energy analysis.
\r
11459 Critical-point calculations. Isothermal flash problem. Liquid
\r
11460 equilibria. Nonconvex nlps. Algorithm gop. Computation.
\r
11461 Multicomponent. Stability.
\r
11462 Chemical engineering.
\r
11463 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
11464 PRINCETON, NJ 08544, USA.},
\r
11468 author = {McDonald, C. M. and Floudas, C. A.},
\r
11469 title = {Global Optimization for the Phase Stability Problem},
\r
11470 journal = {AICHE Journal},
\r
11473 pages = {1798-1814},
\r
11474 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
11475 Reprint available from: Mcdonald CM PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0014},
\r
11476 abstract = {The Gibbs tangent plane criterion has become important in determining the quality of obtained solutions to the phase and chemical equilibrium problem. The ability to determine if a postulated solution is thermodynamically stable with respect to perturbations in any or all of the phases is very useful in the search for the title equilibrium solution. Previous approaches have focused on finding stationary points of the tangent plane distance function. Obtaining all stationary points, however cannot be guaranteed due to the complex and nonlinear nature of the models used to predict equilibrium. Simpler fomulations for the stability problem are presented for special problems where nonideal liquid phases can be adequately modeled using the NRTL and UNIQUAC activity coefficient equations. It shows how the global minimum of the tangent plane distance function can be obtained for these problems. A global optimization approach is advantageous because a nonnegative solution can be asserted to be the globally stable equilibrium one, unlike available local algorithms. For the NRTL equation, the GOP algorithm of Floudas and Visweswaran (1990, 1993) is used to guarantee obtaining epsilon-global convergence to the global minimum. For the UNIQUAC equation, a branch and bound algorithm based on that of Falk and Soland (1969) is used to guarantee convergence to the global solution. Computational results demonstrate the efficiency of both global optimization algorithms in solving various challenging problems. [References: 35] 35},
\r
11477 keywords = {Heterogeneous azeotropic distillation. Thermodynamic energy analysis.
\r
11478 Critical-point calculations. Isothermal flash problem.
\r
11479 Chemical-equilibrium. Liquid-equilibria. Vapor-liquid. Computation.
\r
11480 Algorithm. Strategy.
\r
11481 Chemical engineering.
\r
11482 Reprint available from: Mcdonald CM. PRINCETON UNIV, DEPT CHEM ENGN,
\r
11483 PRINCETON, NJ 08544, USA.},
\r
11487 author = {McDonald, C. M. and Floudas, C. A.},
\r
11488 title = {Glopeq - a New Computational Tool for the Phase and Chemical Equilibrium Problem},
\r
11489 journal = {Computers and Chemical Engineering},
\r
11493 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
11494 Reprint available from: Mcdonald CM PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0001},
\r
11495 abstract = {Calculation of phase and chemical equilibrium represents a crucial phase in the modeling of many separation processes. For conditions of constant temperature and pressure, a necessary and sufficient condition for the true equilibrium solution is that (i) the total Gibbs free energy of the system be at its global minimum, or (ii) the minimum of the tangent plane distance function be nonnegative for all phase models used to represent the system, In this work, the goal is to obtain equilibrium solutions corresponding to a global minimum of the Gibbs free energy as efficiently as possible, for cases where the liquid phase or phases can be modeled by the NRTL, UNIQUAC, UNIFAC, Wilson, modified Wilson and ASOG equations. Vapor phases whose behavior can be described as ideal can also be handled. In achieving this goal, there are two distinct problems of relevance: (i) the minimization of the Gibbs free energy, denoted (G), and (ii) the minimization of the tangent plane distance function, or the tangent plane stability criterion, denoted (S). For all these activity coefficient models, GLOPEQ (GLobal OPtimization for the Phase and chemical EQuilibrium problem) can guarantee global solutions for problems (G) and (S), but a combined algorithm employs them in tandem, using (G) to generate candidate equilibrium solutions which can then be verified for thermodynamic stability by solving (S). Two key features of the combined algorithm are that (i) as much information as is possible is obtained from local searches, and (ii) it is preferable to verify a globally stable equilibrium solution using the tangent plane criterion, as this problem contains fewer variables than the minimization of the Gibbs free energy. Results for several examples are presented, and all but one of them are for the case of phase equilibrium, due to the paucity of examples for reacting systems that employ excess Gibbs free energy models. Copyright (C) 1996 Elsevier Science Ltd [References: 57] 57},
\r
11496 keywords = {Gibbs free-energy. Critical-point calculations. Optimization algorithm
\r
11497 gop. Isothermal flash problem. Vapor-liquid-equilibria. Global
\r
11498 optimization. Azeotropic distillation. Stability analysis. Nonconvex
\r
11499 nlps. Minimization.
\r
11500 Chemical engineering.
\r
11501 Reprint available from: Mcdonald CM. PRINCETON UNIV, DEPT CHEM ENGN,
\r
11502 PRINCETON, NJ 08544, USA.},
\r
11506 author = {McDonald, C. M. and Floudas, C. A.},
\r
11507 title = {Best paper of 1997: GLOPEQ: A new computational tool for the phase and chemical equilibrium problem Computers and Chemical Engineering, Vol 21, No. 1. p. 1-24},
\r
11508 journal = {Computers and Chemical Engineering},
\r
11511 pages = {821-822},
\r
11512 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
11513 Reprint available from: McDonald CM Dupont Co Wilmington, DE 19898 USA Dupont Co Wilmington, DE 19898 USA Princeton Univ, Fac Appl and Computat Math Princeton, NJ 08544 USA 0001 Comput. Chem. Eng},
\r
11514 abstract = {The phase and chemical equilibrium problem is of paramount importance for predicting fluid phase behavior for a very large number of separation process applications. The ubiquity of the flash calculation in chemical engineering is just one example of its prevalence. Process simulators need to be able to reliably and efficiently predict the correct number of phases that will exist at equilibrium, and the distribution of components within those phases. However, the equation based and local optimisation approaches which are in common use can provide no theoretical guarantee that the true equilibrium solution will be obtained. For conditions of constant temperature and pressure, a necessary and sufficient condition for the true equilibrium solution is that (i) the total Gibbs free energy of the system be at its global minimum, or (ii) the minimum of the tangent plane distance function be nonnegative for all phase models used to represent the system. In this contribution, the goal is to obtain equilibrium solutions corresponding to a global minimum of the Gibbs free energy as efficiently as possible, for cases where the liquid phase can be modeled by the NRTL UNIQUAC, UNIFAC, Wilson, modified Wilson and ASOG equations. Vapor phases whose behavior can be described as ideal can also be handled. In achieving this goal, there are two distinct problems of relevance: (i) the minimisation of the Gibbs free energy, denoted (G), and (ii) the minimisation of the tangent plane distance function, or the tangent plane stability criterion, denoted (S). The approach builds on previous contributions by the authors. McDonald and Floudas (Comput. chem. Engng., 19(11), 1995) use the Global optimization, GOP, algorithm of Floudas and Visweswaran (1990, 1993) to obtain global solutions for (G) when employing the NRTL equation. For the UNIQUAC equation, McDonald and Floudas (JOGO, 5:205, 1993) show how the Gibbs function can be transformed into the difference of two convex functions, so that a branch and bound deterministic global optimisation algorithm can be used to solve (G) globally. McDonald and Floudas (AIChE J., 41(7):1798, 1995) demonstrate how global solutions can be obtained for (S) when using the NRTL or UNIQUAC equations. McDonald and Floudas (IandEC Res., 34.1674, 1995) show how a similar branch and bound algorithm can also be applied for the UNIFAC, Wilson, modified Wilson and ASOG models to solve both (G) and (S). The key contribution is the presentation of an algorithm called GLOPEQ (Global OPtimization for the Phase and chemical EQuilibrium problem) which is theoretically guaranteed to converge to the global (sic equilibrium) solution for the activity coefficient models indicated, no matter the starting point. GLOPEQ solves (G) and (S) in tandem, using (G) to generate candidate equilibrium solutions which can then be verified for thermodynamic stability by solving (S). Two key features of the combined algorithm are that (i) as much information as is possible is obtained from local searches, and (ii) it is preferable to verify a globally stable equilibrium solution using the tangent plane criterion, as this problem contains fewer variables than the minimisation of the Gibbs free energy. Both these features improve computational performance greatly. The GLOPEQ algorithm uses the tangent plane criterion to establish if the Gibbs free energy of a current equilibrium solution can be reduced. However, the main difference is that deterministic global optimisation is used to solve the subproblems (G) and (S) as opposed to local optimisation techniques, thus allowing the above guarantees to be made, unlike all other previous approaches. [References: None] None},
\r
11515 keywords = {Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
11518 Reprint available from: McDonald CM. Dupont Co, Wilmington, DE 19898,
\r
11523 author = {McLachlan, G.J. and Krishnan, T.},
\r
11524 title = {The EM algorithm and extensions },
\r
11525 publisher = {Wiley-Interscience},
\r
11526 address = {Hoboken, N.J.},
\r
11531 author = {McLachlan, G.J. and Peel, D.},
\r
11532 title = {Finite Mixture Models},
\r
11533 publisher = {Wiley},
\r
11534 address = {New York},
\r
11538 @article{McMorris,
\r
11539 author = {McMorris, F. R. and Mulder, H.M. and Roberts, F.S.},
\r
11540 title = {The median procedure on median graphs},
\r
11541 journal = {Discrete Appl. Math.},
\r
11544 pages = {165-181},
\r
11549 author = {Meloun, M. and Militky, J. and Hill, M. and Brereton, R.G.},
\r
11550 title = {Crucial problems in regression modelling and their solutions},
\r
11551 journal = {Analyst},
\r
11554 pages = {433-450},
\r
11555 keywords = {analysis
\r
11556 analytical chemistry
\r
11561 linear regression
\r
11563 principle component analysis (PCA)},
\r
11567 @article{Mendel2007_CIM,
\r
11568 author = {Mendel, J.M.},
\r
11569 title = {Type-2 fuzzy sets and systems: an overview},
\r
11570 journal = {IEEE Computational Intelligence Magazine},
\r
11576 @article{Mendel2006_TFS,
\r
11577 author = {Mendel, J.M. and John, R.I. and Liu, F.},
\r
11578 title = {Interval type-2 fuzzy logic systems made simple},
\r
11579 journal = {IEEE Trans. on Fuzzy Systems},
\r
11581 pages = {808-821},
\r
11585 @article{Menger1942,
\r
11586 author = {Menger, K.},
\r
11587 title = {Statistical metrics},
\r
11588 journal = {Procs. Nat. Acad. Sci. U.S.A.},
\r
11590 pages = {535--537},
\r
11594 @article{mesiar-97,
\r
11595 author = {Mesiar, R.},
\r
11596 title = {Choquet like-integrals},
\r
11597 journal = {J. Math. Anal. Appl. },
\r
11599 pages = {477-488},
\r
11603 @article{Mesiar1995_JMAA,
\r
11604 author = {Mesiar, R.},
\r
11605 title = {Choquet-like integrals},
\r
11606 journal = {J. Math. Anal. Appl.},
\r
11608 pages = {477-488},
\r
11612 @inproceedings{Mesiar1995_EUFIT,
\r
11613 author = {Mesiar, R.},
\r
11614 title = {Compensatory operators based on triangular norms},
\r
11615 booktitle = {EUFIT},
\r
11616 editor = {Zimmermann, H.-J.},
\r
11617 address = {Aachen},
\r
11618 pages = {131-135},
\r
11622 @article{Mesiar1999_FSS,
\r
11623 author = {Mesiar, R.},
\r
11624 title = {Generalizations of $k$--order additive discrete fuzzy measures},
\r
11625 journal = {Fuzzy Sets and Systems},
\r
11627 pages = {423-428},
\r
11631 @article{Mesiar1999_IJFUKS,
\r
11632 author = {Mesiar, R.},
\r
11633 title = {$k$--order additive measures},
\r
11634 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
11636 pages = {561-568},
\r
11640 @article{Mesiar2007_EJOR,
\r
11641 author = {Mesiar, R.},
\r
11642 title = {Fuzzy set approach to the utility, preference relations, and aggregation operators},
\r
11643 journal = {Europ. J. Oper. Res.},
\r
11645 pages = {414?422},
\r
11649 author = {Mesiar, R. and Komornikova, M.},
\r
11650 title = {Aggregation operators},
\r
11651 booktitle = {PRIM'96, XI.
\r
11652 Conference on Applied Mathematics},
\r
11653 editor = {Herceg, D. and Surla, K.},
\r
11654 pages = {193--211},
\r
11658 @incollection{Mesiar1998_invol,
\r
11659 author = {Mesiar, R. and Komornikova, M.},
\r
11660 title = {Triangular norm-based aggregation of evidence under fuzziness},
\r
11661 booktitle = {Aggregation and Fusion of Imperfect Information},
\r
11662 editor = {Bouchon-Meunier, B.},
\r
11663 publisher = {Physica-Verlag},
\r
11664 address = {Heidelberg},
\r
11669 @incollection{Mesiar2007_invol,
\r
11670 author = {Mesiar, R. and Komornikova, M. and Kolesarova, A. and Calvo, T.},
\r
11671 title = {Aggregation functions: A revision},
\r
11672 booktitle = {Fuzzy Sets and Their Extensions: Representation, Aggregation and Models},
\r
11673 editor = {Bustince, H. and Herrera, F. and Montero, J.},
\r
11674 publisher = {Springer},
\r
11675 address = {Heidelberg},
\r
11679 @article{Mesiar2008_IS,
\r
11680 author = {Mesiar, R. and Spirkova, J. and Vavrikova, L.},
\r
11681 title = {Weighted aggregation operators based on minimization},
\r
11682 journal = {Inform. Sci.},
\r
11684 pages = {1133-1140},
\r
11688 @inproceedings{Mesiar_2003_ifsa,
\r
11689 author = {Mesiar, R. and Valaskova, L.},
\r
11690 title = {Universal fuzzy measures},
\r
11691 booktitle = {IFSA},
\r
11692 pages = {139-142},
\r
11696 @article{Mesiar1999_tatra,
\r
11697 author = {Mesiar, R. and Vivona, D.},
\r
11698 title = {Two-step integral with respect to fuzzy measure},
\r
11699 journal = {Tatra Mount. Math. Publ.},
\r
11701 pages = {359-368},
\r
11705 @phdthesis{Mesiarova2005_thesis,
\r
11706 author = {Mesiarova, A.},
\r
11707 title = {Special Classes of Triangular Norms},
\r
11708 university = {Slovak Technical University},
\r
11713 author = {Mesiarova, A.},
\r
11714 title = {Triangular Norms},
\r
11715 university = {Slovak Technical University},
\r
11720 @article{Mesiarova2006_IJUFKS,
\r
11721 author = {Mesiarova, A.},
\r
11722 title = {Extremal k-{L}ipschitz t-conorms},
\r
11723 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
11725 pages = {247-257},
\r
11729 @article{Mesiarova2006_Aeq,
\r
11730 author = {Mesiarova, A.},
\r
11731 title = {A note on two open problems of {A}lsina, {F}rank and {S}chweizer},
\r
11732 journal = {Aequationes Mathematicae},
\r
11738 @article{Mesiarova2007_IJGS,
\r
11739 author = {Mesiarova, A.},
\r
11740 title = {Approximation of k-{L}ipschitz t-norms by strict and nilpotent k-{L}ipschitz t-norms},
\r
11741 journal = {Int. J. General Syst},
\r
11743 pages = {205 - 218},
\r
11747 @article{Mesiarova2007_IJAR,
\r
11748 author = {Mesiarova, A.},
\r
11749 title = {k-lp-{L}ipschitz t-norms},
\r
11750 journal = {Int. J. Approx. Reasoning},
\r
11752 pages = {596-604 },
\r
11756 @article{Meuth2007_IEEE,
\r
11757 author = {Meuth, R.J.},
\r
11758 title = {GPUs surpass computers at repetitive calculations},
\r
11759 journal = {IEEE Potentials},
\r
11765 author = {Mezey, P.G.},
\r
11766 title = {Molecular surfaces},
\r
11767 booktitle = {Reviews in Computational Chemistry},
\r
11768 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
11769 publisher = {VCH Publishers},
\r
11770 address = {New York},
\r
11772 pages = {265-294},
\r
11773 keywords = {standard review
\r
11775 van der Waals (vdW) surfaces (vdWS)
\r
11777 solvent-accessible volume model},
\r
11781 @incollection{Micchelli1977_invol,
\r
11782 author = {Micchelli, C.A. and Rivlin, T.J.},
\r
11783 title = {A survey of optimal recovery},
\r
11784 booktitle = {Optimal Estimation in Approximation},
\r
11785 editor = {Micchelli, C.A. and Rivlin, T.J.},
\r
11786 publisher = {Plenum Press},
\r
11787 address = {New York},
\r
11792 @incollection{Micchelli1984_invol,
\r
11793 author = {Micchelli, C.A. and Rivlin, T.J.},
\r
11794 title = {Lectures on optimal recovery},
\r
11795 booktitle = {Numerical Analysis},
\r
11796 editor = {Turner, P.R.},
\r
11797 series = {Lecture Notes in Mathematics},
\r
11798 publisher = {Springer},
\r
11799 address = {Heidelberg},
\r
11805 @article{Micchelli1976_NM,
\r
11806 author = {Micchelli, C.A. and Rivlin, T.J. and Winograd, S.},
\r
11807 title = {The optimal recovery of smooth functions},
\r
11808 journal = {Numer. Math.},
\r
11810 pages = {191-200},
\r
11814 @book{Michalewicz1994_book,
\r
11815 author = {Michalewicz, Z.},
\r
11816 title = {Genetic Algorithms + Data Structures = Evolution Programs},
\r
11817 publisher = {Springer-Verlag},
\r
11818 address = {Berlin; New York},
\r
11819 edition = {2nd, extended},
\r
11821 Zbigniew Michalewicz.
\r
11822 Pt. I. Genetic Algorithms. 1. GAs: What Are They? 2. GAs: How Do They Work? 3. GAs: Why Do They Work? 4. GAs: Selected Topics -- Pt. II. Numerical Optimization. 5. Binary or Float? 6. Fine Local Tuning. 7. Handling Constraints. 8. Evolution Strategies and Other Methods -- Pt. III. Evolution Programs. 9. The Transportation Problem. 10. The Traveling Salesman Problem. 11. Drawing Graphs, Scheduling, Partitioning, and Path Planning. 12. Machine Learning.
\r
11823 Includes bibliographical references (p. [321]-336) and index.
\r
11824 Genetic algorithms plus data structures equals evolution programs.},
\r
11825 keywords = {Computer algorithms.
\r
11826 Data structures (Computer science)
\r
11827 Computer programs.},
\r
11831 author = {Michie, D. and Spiegelhalter, D. and Taylor, C.},
\r
11832 title = {Machine learning, neural and statistical classification},
\r
11833 publisher = {Ellis Horwood},
\r
11837 author = {Mierzwa, M. and Floudas, G. and Stepanek, P. and Wegner, G.},
\r
11838 title = {Effect of pressure on the side-chain crystallization of poly(n-octadecyl methacrylate) studied by dielectric spectroscopy},
\r
11839 journal = {Physical Review B},
\r
11842 pages = {14012-14019},
\r
11843 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
11844 Reprint available from: Floudas G Fdn Res and Technol Hellas, Inst Elect Struct and Laser POB 1527 Heraklion 71110 Crete Greece Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Acad Sci Czech Republ, Inst Macromol Chem Prague 16206 Czech Republic Max Planck Inst Polymerforsch D-55021 Mainz Germany 0046 Phys. Rev. B},
\r
11845 abstract = {We have studied the effect of temperature and pressure on the crystallization of poly(n-octadecyl methacrylate) (PnODMA) by dielectric spectroscopy within the T range from 253 to 363 K and for pressures up to 2.5 kbars. Upon crystallization the spectrum shifts to lower frequencies and broadens considerably towards the low-frequency side. There is a strong increase of pair correlations as we approach the transition from the melt state indicating pretransitional ordering. From the T and P dependence of the relative dielectric intensity the existence of the rigid amorphous phase was documented. From the T and P dependence of the relaxation times the activation energies and activation volumes were obtained and found that the crystal state possess higher activation parameters reflecting the dynamics of the restricted amorphous phase. The effect of pressure on the morphology is to increase the crystal thickness by incorporating additional methylene units to the side-chain crystals. [References: 23] 23},
\r
11846 keywords = {Poly(ether ether ketone). Glass-transition. Polymers. Dynamics.
\r
11847 Relaxation. Crystallinity. Polyisoprene. Temperature. Dependence.
\r
11849 Applied Physics/Condensed Matter/Materials Science in Current
\r
11850 Contents(R)/Physical, Chemical and Earth Sciences.
\r
11855 @book{Mettinen1998_book,
\r
11856 author = {Miettinen, K.},
\r
11857 title = {Nonlinear Multiobjective Optimization},
\r
11858 publisher = {Springer},
\r
11859 address = {Berlin, New York},
\r
11863 @article{Mikhailov2003_FSS,
\r
11864 author = {Mikhailov, L.},
\r
11865 title = {Deriving priorities from fuzzy pairwise comparison judgements},
\r
11866 journal = {Fuzzy Sets and Systems},
\r
11868 pages = {365-385},
\r
11872 author = {Miller, David and Rao, Ajit V. and Rose, Kenneth and Gersho, Allen},
\r
11873 title = {A global optimization technique for statistical classifier design},
\r
11874 journal = {IEEE Transactions on Signal Processing},
\r
11877 pages = {p3108(15)},
\r
11878 abstract = {A global optimization technique minimizes the rate of misclassification in the designing of statistical classifiers. The method gives an annealing approach for optimization to incorporate structural constraints and minimize the probability of error. The approach finds application in prototype-based, radial basis function and multilayer perception classifiers. This design method yields better classifiers than those obtained by other methods.},
\r
11879 keywords = {Mathematical optimization Usage
\r
11880 Statistical process control Research},
\r
11884 @inproceedings{Miller2004,
\r
11885 author = {Miller, E.},
\r
11886 title = {A New Class of Entropy Estimators for Multi-Dimensional Densities},
\r
11887 booktitle = {IEEE Intl Conf. on Acoustics, Speech, and Signal Processing},
\r
11888 address = {Montreal, Canada},
\r
11892 author = {Miller, Ronald E.},
\r
11893 title = {Optimization: foundations and applications},
\r
11894 publisher = {Wiley},
\r
11895 address = {New York},
\r
11898 Ronald E. Miller.
\r
11899 Pt. I. Foundations: Linear Methods. 1. Matrix Algebra. 2. Systems of Linear Equations -- Pt. II. Foundations: Nonlinear Methods. 3. Unconstrained Maximization and Minimization. 4. Constrained Maximization and Minimization -- Pt. III. Applications: Iterative Methods for Nonlinear Problems. 5. Solving Nonlinear Equations. 6. Solving Unconstrained Maximization and Minimization Problems -- Pt. IV. Applications: Constrained Optimization in Linear Models. 7. Linear Programming: Fundamentals. 8. Linear Programming: Extensions. 9. Linear Programming: Interior Point Methods -- Pt. V. Applications: Constrained Optimization in Nonlinear Models. 10. Nonlinear Programming: Fundamentals. 11. Nonlinear Programming: Duality and Computational Methods.
\r
11900 "A Wiley-Interscience publication."
\r
11901 Includes bibliographical references and index.},
\r
11902 abstract = {"Optimization: Foundations and Applications presents a series of approaches to the challenges faced by analysts who must find the best way to accomplish particular objectives, usually with the added complication of constraints on the available choices. Ronald E. Miller provides detailed coverage of both classical, calculus-based approaches and newer, computer-based iterative methods."--BOOK JACKET. "With special emphasis on questions most frequently asked by those encountering this material for the first time, Optimization: Foundations and Applications is an extremely useful resource for professionals in such areas as mathematics, engineering, economics and business, regional science, geography, sociology, political science, management and decision sciences, public policy analysis, and numerous other social sciences."--BOOK JACKET.},
\r
11903 keywords = {Mathematical optimization.},
\r
11907 @article{Miranda1999_IJUFKS,
\r
11908 author = {Miranda, P. and Grabisch, M.},
\r
11909 title = {Optimization issues for fuzzy measures},
\r
11910 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
11912 pages = {545-560},
\r
11916 @incollection{Miranda2002_springervol,
\r
11917 author = {Miranda, P. and Grabisch, M.},
\r
11918 title = {Characterizing k-additive fuzzy measures},
\r
11919 booktitle = {Technologies for constructing intelligent systems},
\r
11920 editor = {Bouchon-Meunier, B. and Gutierrez-Rios, J. and Magdalena, L. and Yager, R.},
\r
11921 publisher = {Springer},
\r
11922 address = {Berlin},
\r
11924 pages = {209-222},
\r
11928 @article{Mitchell2004_IJFUKS,
\r
11929 author = {Mitchell, H.B.},
\r
11930 title = {AN INTUITIONISTIC {OWA} OPERATOR},
\r
11931 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
11933 pages = {843-860},
\r
11937 @article{Mladineo1986_mprog,
\r
11938 author = {Mladineo, R.},
\r
11939 title = {An algorithm for finding the global maximum of a multimodal, multivariate function},
\r
11940 journal = {Math. Progr.},
\r
11942 pages = {188-200},
\r
11946 author = {Mockus, Jonas},
\r
11947 title = {Bayesian approach to global optimization: theory and applications},
\r
11948 publisher = {Kluwer Academic},
\r
11949 address = {Dordrecht; Boston},
\r
11952 1 computer disk (5 1/4 in.)
\r
11953 Mathematics and its applications. Soviet series.
\r
11954 System requirements for computer disk: Any computer with standard FORTRAN.
\r
11956 Includes bibliographical references (p. 237-246)
\r
11957 Mathematics and its applications (Kluwer Academic Publishers). Soviet series.},
\r
11958 keywords = {Mathematical optimization.
\r
11959 Bayesian statistical decision theory.},
\r
11963 @article{Sukhorukova2012_ANZIAM,
\r
11964 author = {Moloney, D. and Sukhorukova, N. and Pamplew, P. and Ugon, J. and Li, G. and Beliakov, G. and Philippe, C. and Amiel, H. and Ugon, A.},
\r
11965 title = {Detecting K-complexes for sleep stage identi?cation using nonsmooth optimisation},
\r
11966 journal = {ANZIAM Journal},
\r
11967 volume = {in press},
\r
11971 author = {MOLONEY, D. and SUKHORUKOVA, N. and VAMPLEW, P. and UGON, J. and LI, G. and BELIAKOV, G. and PHILIPPE, C. and AMIEL, H. and UGON, A.},
\r
11972 title = {DETECTING K-COMPLEXES FOR SLEEP STAGE IDENTIFICATION USING NONSMOOTH OPTIMIZATION},
\r
11973 journal = {The ANZIAM Journal},
\r
11976 pages = {319-332},
\r
11980 author = {Momany, F.A. and McGuire, R.F. and Burgess, A.W. and Scheraga, H.A.},
\r
11981 title = {Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids},
\r
11982 journal = {Journal of Physical Chemistry},
\r
11985 pages = {2361-2381},
\r
11986 keywords = {empirical conformational energy program for peptides and proteins (ECEPP)
\r
11987 ECEPP force field
\r
11988 geometry optimization
\r
11989 molecular mechanics (MM)
\r
11990 molecular modelling
\r
11991 molecular structure},
\r
11995 @article{Monjardet,
\r
11996 author = {Monjardet, B.},
\r
11997 title = {“Math\'ematique Sociale" and Mathematics. A case study: Condorcet’s effect and medians.},
\r
11998 journal = {Electronic Journal for History of Probability and Statistics},
\r
12005 @article{Monjardet_ADM,
\r
12006 author = {Monjardet, B. and Hammer, P. L. },
\r
12007 title = {Theorie De La Mediane Dans Les Treillis Distributes Finis Et Applications},
\r
12008 journal = {Annals of Discrete Mathematics},
\r
12009 volume = {Volume 9},
\r
12011 note = {doi: DOI: 10.1016/S0167-5060(08)70040-2},
\r
12015 author = {Moore, E.A.},
\r
12016 title = {Molecular Modelling and Bonding},
\r
12017 publisher = {Royal Society of Chemistry},
\r
12018 address = {Cambridge (UK)},
\r
12020 series = {The Molecular World},
\r
12021 abstract = {Why do molecules adopt particular shapes? What determines the physical and chemical properties of a material? Molecular Modelling and Bonding answers these questions by introducing the ideas behind molecular and quantum mechanics, using a largely non-mathematical approach. Atomic and molecular orbitals, computational chemistry and bonding in solids are also discussed. A Case Study, Molecular Modelling in Drug Design, explores ways in which computer modelling, in conjunction with experimental techniques, is used to design new drugs. The accompanying CD-ROM illustrates applications of molecular and quantum mechanics, and includes many of the structures and orbitals illustrated in the text. It provides the programs necessary to view orbitals and 3D structures.},
\r
12023 chemical education
\r
12024 undergraduate education
\r
12025 undergraduate textbook
\r
12026 molecular modelling
\r
12027 molecular mechanics (MM)
\r
12028 molecular orbital (MO) theory
\r
12029 quantum chemistry},
\r
12033 author = {Moore, J.W.},
\r
12034 title = {Challenges at the molecular frontier (Editorial)},
\r
12035 journal = {Journal of Chemical Education},
\r
12039 keywords = {chemical education},
\r
12044 author = {Moré, J. and Wright, S. J.},
\r
12045 title = {Optimization Software Guide},
\r
12046 publisher = {SIAM},
\r
12047 address = {Philadelphia},
\r
12051 author = {Moré, J. and Wu, Z.},
\r
12052 title = {Global continuation for distance geometry problems},
\r
12053 journal = {SIAM Journal of Optimization},
\r
12056 pages = {814-836},
\r
12057 abstract = {Distance geometry is a general methodology for fomulating conformational problems in terms of distance and chirality constraints. In this paper, the distance geometry problem is that of determining the coordinates of a set of points in space from a given set of pairwise disjoint measurements. It is a common method for formulating space conformational problems in terms of distance measurements and recently this approach has been used in determining the structure of proteins from nuclear magnetic resonance data. In this paper the authors consider the case where only a subset of the distances between atoms is given and formulate this distance geometry problem and a global minimization problem of special structure. It is shown that global smoothing techniques and continuation approaches can be used to find globally optimal solutions. Some preliminary computational results and comparison with the multistart method for global optimization are presented.},
\r
12058 keywords = {global optimization
\r
12059 distance geometry
\r
12060 conformational analysis
\r
12061 molecular structure},
\r
12065 author = {Moré, J. and Wu, Z.},
\r
12066 title = {Distance geometry optimization for protein structures},
\r
12067 journal = {Journal of Global Optimization},
\r
12070 pages = {219-234},
\r
12071 abstract = {We study the performance of the $\ssf{dgsol}$ code for the solution of distance geometry problems with lower and upper bounds on distance constraints. The $\ssf{dgsol}$ code uses only a sparse set of distance constraints, while other algorithms tend to work with a dense set of constraints either by imposing additional bounds or by deducing bounds from the given bounds. Our computational results show that protein structures can be determined by solving a distance geometry problem with $\ssf{dgsol}$ and that the approach based on $\ssf{dgsol}$ is significantly more reliable and efficient than multi-starts with an optimization code.},
\r
12072 keywords = {global optimization
\r
12073 distance geometry
\r
12074 conformational analysis
\r
12075 molecular structure},
\r
12079 @article{More2009_SIAM,
\r
12080 author = {More, J.J and Wild, S.M. },
\r
12081 title = {Benchmarking derivative-free optimization algorithms},
\r
12082 journal = {SIAM J. Optim.},
\r
12084 pages = {172-191},
\r
12088 author = {Morse, H. Stephen},
\r
12089 title = {Practical parallel computing},
\r
12090 publisher = {AP Professional},
\r
12091 address = {Boston},
\r
12093 H. Stephen Morse.
\r
12094 Pt. 1. Preliminaries. 1. The Status and Future of Massively Parallel Processing. 2. Can Parallel Machines Be Used Efficiently? 3. An Introduction to Hardware Architectures -- Pt. 2. Software Issues. 4. Shared Memory Parallel Language Constructs. 5. Message Passing. 6. SIMD and Array-Based Languages. 7. Linda. 8. The Development Environment for Parallel Software. 9. Operating System Issues -- Pt. 3. Management Issues. 10. Benchmarking Parallel Applications. 11. Porting and Developing Parallel Applications. 12. Matching Applications to Architectures.
\r
12095 Includes index.},
\r
12096 keywords = {Parallel processing (Electronic computers)},
\r
12100 author = {Motulsky, H. and Brown, R.},
\r
12101 title = {Detecting outliers when fitting data with nonlinear regression - a new method based on robust nonlinear regression and the false discovery rate},
\r
12102 journal = {BMC Bioinformatics},
\r
12104 pages = {123-140},
\r
12108 @incollection{Motzkin1953,
\r
12109 author = {Motzkin, T.S. and Raiffa, H. and Thompson, G.L. and Thrall, R.M.},
\r
12110 title = {The double description method},
\r
12111 booktitle = {Contribution to theory of games},
\r
12112 editor = {Kuhn, H.W. and Tucker, A.W.},
\r
12113 publisher = {Princeton University Press},
\r
12114 address = {Princeton, RI},
\r
12120 author = {Mount, D.M.},
\r
12121 title = {{ANN:} A Library for Approximate Nearest Neighbor Searching},
\r
12123 number = {September 2011},
\r
12127 author = {Mount, D.W.},
\r
12128 title = {Bioinformatics: Sequence and Genome Analysis},
\r
12129 publisher = {CSHL Press},
\r
12130 address = {Cold Spring Harbor, NY},
\r
12134 @incollection{Muegge2001_inbook,
\r
12135 author = {Muegge, I. and Rarey, M.},
\r
12136 title = {Small molecule docking and scoring},
\r
12137 booktitle = {Reviews in Computational Chemistry},
\r
12138 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
12139 publisher = {Wiley-VCH},
\r
12140 address = {New York},
\r
12143 keywords = {potential energy surface (PES)
\r
12144 molecular mechanics (MM)
\r
12145 molecular modelling
\r
12154 @article{Muhlbauer2009,
\r
12155 author = {Muhlbauer, A. and Spichtinger, P. and Lohmann, U.},
\r
12156 title = {Application and Comparison of Robust Linear Regression Methods for Trend Estimation},
\r
12157 journal = {Journal of Applied Meteorology and Climatology},
\r
12159 pages = {1961-1970},
\r
12160 abstract = {In this study, robust parametric regression methods are applied to temperature and precipitation time series in Switzerland and the trend results are compared with trends from classical least squares (LS) regression and nonparametric approaches. It is found that in individual time series statistically outlying observations are present that influence the LS trend estimate severely. In some cases, these outlying observations lead to an over-/underestimation of the trends or even to a trend masking. In comparison with the classical LS method and standard nonparametric techniques, the use of robust methods yields more reliable trend estimations and outlier detection.},
\r
12164 @article{Mulansky1998_JAT,
\r
12165 author = {Mulansky, B. and Neamtu, M.},
\r
12166 title = {Interpolation and approximation from convex sets},
\r
12167 journal = {J. Approx. Theory},
\r
12169 pages = {82-100},
\r
12173 @article{Mulansky2000_JCAM,
\r
12174 author = {Mulansky, B. and Neamtu, M.},
\r
12175 title = {Interpolation and approximation from convex sets II. Infinite-dimensional interpolation},
\r
12176 journal = {J. Comp. Appl. Math.},
\r
12178 pages = {333-346},
\r
12182 @article{Muller1995,
\r
12183 author = {Müller, C. H.},
\r
12184 title = {Breakdown points for designed experiments},
\r
12185 journal = {Journal of Statistical Planning and Inference},
\r
12188 pages = {413-427},
\r
12189 note = {0378-3758
\r
12190 doi: DOI: 10.1016/0378-3758(94)00086-B},
\r
12191 keywords = {Linear model
\r
12193 Least median of squares
\r
12194 Least trimmed squares
\r
12200 @inproceedings{Murofushi-Soneda-93,
\r
12201 author = {Murofushi, T. and Soneda, S.},
\r
12202 title = {Techniques for reading fuzzy measures (iii): {I}nteraction index},
\r
12203 booktitle = {9th Fuzzy Systems Symposium},
\r
12204 address = {Sapporo, Japan},
\r
12205 pages = {693-696},
\r
12209 @inproceedings{Murofushi-Sugeno-91,
\r
12210 author = {Murofushi, T. and Sugeno, M.},
\r
12211 title = {Non--additivity of fuzzy measures representing preferential dependence},
\r
12212 booktitle = {2nd Int. Conf on Fuzzy Systems and Neural Networks},
\r
12213 address = {Iizuka, Japan},
\r
12214 pages = {617-120},
\r
12218 @article{MuroSugeno-93,
\r
12219 author = {Murofushi, T. and Sugeno, M.},
\r
12220 title = {Some quantities represented by the {C}hoquet integral},
\r
12221 journal = {Fuzzy Sets and Systems},
\r
12223 pages = {229-235},
\r
12227 author = {Murtagh, B.A. and Saunders, M.A.},
\r
12228 title = {MINOS 5.4 User's Guide},
\r
12229 institution = {Systems Optimization Laboratory, Department of Operations Research, Stanford University},
\r
12233 @article{Torra2005_TFS,
\r
12234 author = {Narukawa, Y. and Torra, V.},
\r
12235 title = {Fuzzy Measure and Probability Distributions: Distorted Probabilities},
\r
12236 journal = {IEEE Trans. on Fuzzy Systems},
\r
12238 pages = {617-629},
\r
12242 @article{Narukawa2005_IJUFKS,
\r
12243 author = {Narukawa, Y. and Torra, V.},
\r
12244 title = {Graphical interpretation of the twofold integral and its generalization},
\r
12245 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
12247 pages = {415 - 424},
\r
12251 @article{Nayeem1991_jCompChem,
\r
12252 author = {Nayeem, A. and Vila, J. and Scheraga, H.A.},
\r
12253 title = {A comparative study of the simulated annealing and Monte Carlo with minimization approaches to the minimum energy structures of polypeptides: met-enkephalin},
\r
12254 journal = {J. Comp. Chem},
\r
12256 pages = {594-605},
\r
12260 @article{NelderMead,
\r
12261 author = {Nelder, J. A. and Mead, R.},
\r
12262 title = {A simplex method for function minimization},
\r
12263 journal = {Computer Journal},
\r
12265 pages = {308-313},
\r
12269 @article{Nelsen2007,
\r
12270 author = {Nelsen, R. and Quesada-Molina, J.J. and Rodriguez-Lallena, J.A. and Ubeda-Flores, M.},
\r
12271 title = {On the construction of copulas and quasi-copulas with given diagonal sections},
\r
12272 journal = {Mathematics and Economics},
\r
12273 volume = {in press},
\r
12277 @book{Nelsen1998_book,
\r
12278 author = {Nelsen, R.B.},
\r
12279 title = {An Introduction to Copulas},
\r
12280 publisher = {Springer},
\r
12281 address = {Berlin},
\r
12285 @article{Nelsen2004_JMA,
\r
12286 author = {Nelsen, R.B. and Quesada Molina, J.J. and Rodriguez Lallena, J.A. and Ubeda Flores, M.},
\r
12287 title = {Best-possible bounds on sets of bivariate distribution functions},
\r
12288 journal = {J. of Multivariate Analysis},
\r
12290 pages = {348-358},
\r
12294 @article{Nemethy1992,
\r
12295 author = {Némethy, G. and Gibson, K.D. and Palmer, K.A. and Yoon, C.N. and Paterlini, G. and Zagari, A. and Rumsey, S. and Scheraga, H.A.},
\r
12296 title = {Energy parameters in polypeptides. 10. Improved geometrical parameters and nonbonded interactions for use in the ECEPP/3 algorithm, with application to proline-containing peptides},
\r
12297 journal = {Journal of Physical Chemistry},
\r
12300 pages = {6472-6484},
\r
12301 keywords = {empirical conformational energy program for peptides and proteins (ECEPP)
\r
12302 ECEPP/3 force field
\r
12303 geometry optimization
\r
12304 molecular mechanics (MM)
\r
12305 molecular modelling
\r
12306 molecular structure},
\r
12310 author = {Némethy, G. and Pottle, M.S. and Scheraga, H.A.},
\r
12311 title = {Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acids},
\r
12312 journal = {Journal of Physical Chemistry},
\r
12315 pages = {1883-1887},
\r
12316 keywords = {empirical conformational energy program for peptides and proteins (ECEPP)
\r
12317 ECEPP/2 force field
\r
12318 geometry optimization
\r
12319 molecular mechanics (MM)
\r
12320 molecular modelling
\r
12321 molecular structure},
\r
12325 @article{Neumaier1997_siam,
\r
12326 author = {Neumaier, A.},
\r
12327 title = {Molecular modeling of proteins and mathematical prediction of protein structure},
\r
12328 journal = {SIAM Review},
\r
12331 pages = {407-460},
\r
12332 abstract = {The mathematical formulation and solution of the protein folding problem is investigated. The problem involves the mathematical prediction of protein structure given the structure defined by the amino acid sequence of the protein. Among the main facets of the static problem in a mathematical viewpoint are selection of the proper potential energy function, parameter identification and global optimization of the potential.},
\r
12333 keywords = {Protein folding Research
\r
12334 Proteins Structure
\r
12335 Biochemistry Research},
\r
12339 @article{Neumaier2005_MP,
\r
12340 author = {Neumaier, A. and Shcherbina, O. and Huyer, W. and Vinko, T.},
\r
12341 title = {A comparison of complete global optimization solvers},
\r
12342 journal = {Math. Programming B},
\r
12344 pages = { 335-356},
\r
12348 author = {Neykova, N. and Filzmoserb, P. and Dimovac, R. and Neytcheva, P.},
\r
12349 title = {Robust fitting of mixtures using the trimmed likelihood estimator},
\r
12350 journal = {Computational Statistics and Data Analysis},
\r
12352 pages = {299-308},
\r
12356 author = {Ngai, K. L. and Floudas, G. and Rizos, A. K.},
\r
12357 title = {Distribution of Reorientational Times of Optically Anisotropic Molecular Liquids from Depolarized Light-Scattering Studies},
\r
12358 journal = {Journal of Chemical Physics},
\r
12361 pages = {6957-6963},
\r
12362 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
12363 Reprint available from: Ngai KL USN RES LAB WASHINGTON, DC 20375 USA FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER IRAKLION 71110 CRETE GREECE UNIV CRETE DEPT CHEM IRAKLION 71409 CRETE GREECE},
\r
12364 abstract = {Several optically anisotropic glass-forming liquids have been studied by depolarized Rayleigh scattering in the region of the alpha relaxation. These liquids have a fourfold difference in T-g's, a fivefold difference in optical anisotropies gamma(eff)(2)'s, and a sevenfold difference in hydrodynamic volumes V-h's. The analysis of the distribution of relaxation times has been carried out using both the raw intensity data and the corresponding susceptibility representation of the same data. These results are combined with light scattering and dielectric data obtained at lower frequencies. Notwithstanding the great differences in T-g's, gamma(eff)(2)'s, and V-h's, the liquids show that their distributions of relaxation times from light scattering narrow with increasing temperature. In some, though not all, liquids, an unbiased analysis of the data indicates that the distribution tends to narrow towards a single exponential time (Debye) spectrum consistent with the extrapolation of the dielectric relaxation measurements from lower temperatures. The light-scattering results, consistent with dielectric and shear viscosity data, are discussed in their relation to current theoretical interpretations. (C) 1997 American Institute of Physics. [References: 66]},
\r
12365 keywords = {Ortho-terphenyl. Neutron-scattering. Glass-transition. Supercooled
\r
12366 liquid. Alpha-relaxation. Dielectric-relaxation. Aroclor solutions.
\r
12367 Toluene solutions. Solvent mobility. Beta-relaxation.
\r
12368 Physical chemistry/chemical physics.},
\r
12372 @book{Nguyen2000_book,
\r
12373 author = {Nguyen, H.T. and Walker, E.A.},
\r
12374 title = {A First Course in Fuzzy Logic},
\r
12375 publisher = {Chapman \& Hall},
\r
12376 address = {Boca Raton},
\r
12380 @article{Nguyen2010_CSDA,
\r
12381 author = {Nguyen, T. D. and Welsch, R.},
\r
12382 title = {Outlier detection and least trimmed squares approximation using semi-definite programming},
\r
12383 journal = {Computational Statistics & Data Analysis},
\r
12384 volume = {DOI: 10.1016/j.csda.2009.09.037},
\r
12385 note = {doi: DOI: 10.1016/j.csda.2009.09.037},
\r
12389 author = {Nicholls, A.W. and Akira, K. and Lindon, J.C. and Farrant, R.D. and Wilson, I.D. and Harding, J. and Killick, D.A. and Nicholson, J.K.},
\r
12390 title = {NMR spectroscopic and theoretical chemistry studies on the internal acyl migration reactions of the 1-O-acyl-b-D-glucopyranuronate conjugates of 2-, 3-, and 4-(trifluoromethyl)benzoic acids},
\r
12391 journal = {Chemical Research in Toxicology},
\r
12394 pages = {1414-1424},
\r
12395 keywords = {nuclear magnetic resonance (NMR)
\r
12396 molecular conformation},
\r
12400 author = {Nickel, S. and Schobel, A.},
\r
12401 title = {A geometric approach to global optimization},
\r
12402 journal = {Journal of Global Optimization},
\r
12405 pages = {109-126},
\r
12406 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
12407 Reprint available from: Nickel S Univ Kaiserslautern, Fachbereich Math D-67653 Kaiserslautern Germany Univ Kaiserslautern, Fachbereich Math D-67653 Kaiserslautern Germany 0001 J. Glob. Optim},
\r
12408 abstract = {In this paper we consider the problem of optimizing a piecewise-linear objective function over a non-convex domain. In particular we do not allow the solution to lie in the interior of a prespecified region R. We discuss the geometrical properties of this problems and present algorithms based on combinatorial arguments. In addition we show how we can construct quite complicated shaped sets R while maintaining the combinatorial properties. [References: 20] 20},
\r
12409 keywords = {Reverse convex constraints. Geometric approach. Discretization.
\r
12410 Piecewise linear programs.
\r
12411 Simplex algorithm. Convex-functions.
\r
12412 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
12415 Reprint available from: Nickel S. Univ Kaiserslautern, Fachbereich Math,
\r
12416 D-67653 Kaiserslautern, Germany, .},
\r
12420 author = {Nicolai, T. and Floudas, G.},
\r
12421 title = {Dynamics of Linear and Star Poly(Oxypropylene) Studied by Dielectric Spectroscopy and Rheology},
\r
12422 journal = {Macromolecules},
\r
12425 pages = {2578-2585},
\r
12426 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
12427 Reprint available from: Nicolai T UNIV MAINE UMR CNRS F-72085 LE MANS 9 FRANCE FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER IRAKLION 71110 CRETE GREECE},
\r
12428 abstract = {We give a quantitative comparison of dielectric and viscoelastic relaxation of identical poly(oxypropylene) (POP) diols and triols with molar masses in the range 260-11 000 g/mol. The segmental relaxation probed in dielectric spectroscopy (DS) is slower by a factor of 8 +/- 1, while the conformational relaxation of the whole chain is faster by a factor of 2.5 +/- 0.5. The molar mass dependence of the conformational relaxation is close to the prediction of the Rouse model. POP diol with molar mass larger than 4000 g/L shows the influence of entanglement. A ''fast'' beta-relaxation with Arrhenius temperature dependence is observed in all samples by DS. Measurements made on very low molar mass samples show that hydroxyl end groups are involved in this relaxation. [References: 32]},
\r
12429 keywords = {Poly(propylene glycol). Brillouin-scattering. Light-scattering.
\r
12430 Relaxation spectroscopy. Temperature. Polymers. Liquid.
\r
12431 Organic chemistry/polymer science.},
\r
12435 author = {Nigra, P. and Kais, S.},
\r
12436 title = {Pivot method for global optimization: a study of water clusters},
\r
12437 journal = {Chem. Phys. Lett.},
\r
12439 pages = {433-438},
\r
12443 author = {Nilges, M.},
\r
12444 title = {Structure calculation from NMR data},
\r
12445 journal = {Current Opinion in Structural Biology},
\r
12448 pages = {617-623},
\r
12449 abstract = {NMR calculation methods have kept pace with the rapid extension of NMR experiments to larger molecules. By including additional data and effects of local dynamics in the refinement, we can obtain a more complete picture of the molecule in solution. The structure determination process is being aided by new methods to solve some aspects of spectral assignment during the structure calculation.},
\r
12450 keywords = {MD molecular dynamics
\r
12451 MDSA MD-based simulated annealing
\r
12452 NOE nuclear Overhauser effect
\r
12453 ROE rotating frame Overhauser effect},
\r
12457 author = {Nilges, M. and Clore, G.M. and Gronenborn, A.M.},
\r
12458 title = {Determination of three-dimensional structures of proteins from interproton distance data by hybrid distance geometry-dynamical simulated annealing calculations},
\r
12459 journal = {FEBS Letters},
\r
12461 pages = {317-324},
\r
12462 keywords = {journal
\r
12463 Federation of European Biochemical Societies (FEBS)
\r
12464 distance geometry
\r
12465 nuclear magnetic resonance (NMR)
\r
12466 molecular structure
\r
12467 Simulated annealing
\r
12472 author = {Nilges, M. and O'Donoghue, S.I.},
\r
12473 title = {Ambiguous NOEs and automated NOE assignment},
\r
12474 journal = {Progress in Nuclear Magnetic Resonance Spectroscopy},
\r
12477 pages = {107-139},
\r
12479 Nuclear magnetic resonance
\r
12480 Nuclear Overhauser effect
\r
12481 Simulated annealing
\r
12482 Distance geometry
\r
12483 Three-dimensional solution structureSymmetric oligomer},
\r
12487 author = {Nobbs, S.F.},
\r
12488 title = {Extraction, isolation and structural determination of organic compounds from Scaevola spinescens R. Br.},
\r
12489 university = {University of Adelaide},
\r
12490 notes = {Scaevola spinescens R. Br. is a plant used by aborigines as a traditional medicine for the treatment of some cancers.
\r
12492 Supervisor: Simon Pyke},
\r
12494 keywords = {Scaevola spinescens R. Br.
\r
12495 S. spinescens R. Br.
\r
12497 nuclear magnetic resonance (NMR)
\r
12499 nuclear Overhauser effect (NOE)
\r
12500 distance geometry
\r
12501 molecular structure},
\r
12505 @book{Nocedal1999_book,
\r
12506 author = {Nocedal, J. and Wright, S.},
\r
12507 title = {Numerical Optimization},
\r
12508 publisher = {Springer},
\r
12509 address = {New York},
\r
12513 author = {Nordlander, E.J. and Bund, A.F., IV and Bader, M.},
\r
12514 title = {Program ATCOOR: A program for calculation and utilization of molecular atomic coordinates from bond parameters},
\r
12515 journal = {Computers Chem.},
\r
12521 author = {Norman Katz, I. and Vogl, Steven R.},
\r
12522 title = {A Weiszfeld algorithm for the solution of an asymmetric extension of the generalized Fermat location problem},
\r
12523 journal = {Computers & Mathematics with Applications},
\r
12526 pages = {399-410},
\r
12527 note = {doi: DOI: 10.1016/j.camwa.2009.07.007},
\r
12528 keywords = {Generalized Fermat location
\r
12529 Asymmetric distance
\r
12530 Weiszfeld algorithm},
\r
12535 author = {Notebaert, P. and Eikland, K. and Berkelaar, M.},
\r
12536 title = {LP_SOLVE},
\r
12541 @article{Nunkesser2010_CSDA,
\r
12542 author = {Nunkesser, R. and Morell, O.},
\r
12543 title = {An evolutionary algorithm for robust regression},
\r
12544 journal = {Computational Statistics & Data Analysis},
\r
12545 volume = {DOI: 10.1016/j.csda.2010.04.017},
\r
12546 note = {doi: DOI: 10.1016/j.csda.2010.04.017},
\r
12547 keywords = {Random search heuristics
\r
12548 Robust regression
\r
12549 Least trimmed squares (LTS)
\r
12550 Least median of squares (LMS)
\r
12551 Least quantile of squares (LQS)
\r
12552 Least quartile difference (LQD)},
\r
12556 author = {NVIDIA},
\r
12557 title = {www.nvidia.com/cuda},
\r
12561 author = {Oezguen, N. and Adamian, L. and Xu, Y. and Rajarathnam, K. and Braun, W.},
\r
12562 title = {Automated assignment and 3D structure calculations using combinations of 2D homonuclear and 3D heteronuclear NOESY spectra},
\r
12563 journal = {Journal of Biomolecular NMR},
\r
12566 pages = {249-263},
\r
12567 abstract = {The NOAH/DIAMOD suite uses feedback filtering and self-correcting distance geometry to generate 3D structures from unassigned NOESY spectra. In this study we determined the minimum set of experiments needed to generate a high quality structure bundle. Different combinations of 3D N-15-edited, C-13-edited HSQC-NOESY and 2D homonuclear H-1-H-1 NOESY spectra of the 77 amino acid protein, myeloid progenitor inhibitory factor-1 (MPIF-1) were used as input for NOAH/DIAMOD calculations. The quality of the assignments of NOESY cross peaks and the accuracy of the automatically generated 3D structures were compared to those obtained with a conventional manual procedure. Combining data from two types of experiments synergistically increased the number of peaks assigned unambiguously in both individual spectra. As a general trend for the accuracy of the structures we observed structural variations in the backbone fold of the final structures of about 2 Angstrom for single spectral data, of 1 Angstrom to 1.5 Angstrom for double spectral data, and of 0.6 Angstrom for triple spectral data sets. The quality of the assignments and 3D structures from the optimal data using all three spectra were similar to those obtained from traditional assignment methods with structural variations within the bundle of 0.6 Angstrom and 1.3 Angstrom for backbone and heavy atoms, respectively. Almost all constraints (97%) of the automatic NOESY cross peak assignments were cross compatible with the structures from the conventional manual assignment procedure, and an even larger proportion (99%) of the manually derived constraints were compatible with the automatically determined 3D structures. The two mean structures determined by both methods differed only by 1.3 Angstrom rmsd for the backbone atoms in the well-defined regions of the protein. Thus NOAD/DIAMOD analysis of spectra from labeled proteins provides a reliable method for high throughput analysis of genomic targets.},
\r
12568 keywords = {nuclear magnetic resonance (NMR)
\r
12570 nuclear Overhauser effect (NOE)
\r
12571 molecular structure
\r
12573 distance geometry
\r
12578 @article{Ogryczak2003_EJOR,
\r
12579 author = {Ogryczak, W. and Sliwinski, T.},
\r
12580 title = {On solving linear programs with the ordered weighted averaging objective},
\r
12581 journal = {Europ. J. Oper. Res.},
\r
12587 @inproceedings{OHagan1988,
\r
12588 author = {O'Hagan, M.O.},
\r
12589 title = {Aggregating template or rule antecedents in real-time expert systems with fuzzy set logic},
\r
12590 booktitle = {22nd Annual IEEE Asilomar Conf. Signals, Systems, Computers},
\r
12591 publisher = {Pacific Grove, CA},
\r
12592 pages = {681-689},
\r
12596 @book{Okabe2000_book,
\r
12597 author = {Okabe, A. and Boots, B. and Sugihara, K. and Chiu, S. N.},
\r
12598 title = {Spatial Tessellations: Concepts and Applications of Voronoi Diagrams},
\r
12599 publisher = {John Wiley},
\r
12600 address = {Chichester},
\r
12605 @article{Hawkins2003_SPL,
\r
12606 author = {Olive, D.J. and Hawkins, D. M.},
\r
12607 title = {Robust regression with high coverage},
\r
12608 journal = {Statistics and Probability Letters},
\r
12610 pages = {259-266},
\r
12615 author = {Optimization, Centre for Informatics and Applied},
\r
12616 title = {GANSO programming library},
\r
12620 author = {Pakula, T. and Floudas, G.},
\r
12621 title = {Dynamics and viscoelastic effects in block copolymers: Real and simulated systems BaltaCalleja FJ, Roslaniec Z},
\r
12622 journal = {Block Copolymers},
\r
12623 volume = {PG. 123-177. [Figures] [Plates]. BLOCK COPOLYMERS. PG. 123-177. 2000 [Figures] [Plates]. MARCEL DEKKER, 270 MADISON AVE, NEW YORK, NY 10016 USA. URL},
\r
12624 pages = {http://www.dekker.com MARCEL DEKKER},
\r
12625 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
12626 Reprint available from: Pakula T Max Planck Inst Polymer Res Mainz Germany Max Planck Inst Polymer Res Mainz Germany 0006},
\r
12627 keywords = {Current Book Contents in Current Contents(R)/Physical, Chemical and Earth
\r
12630 Reprint available from: Pakula T. Max Planck Inst Polymer Res, Mainz,
\r
12635 @book{Pallaschke1997_book,
\r
12636 author = {Pallaschke, D. and Rolewicz, S.},
\r
12637 title = {Foundations of Mathematical Optimization},
\r
12638 publisher = {Kluwer Academic Publishers},
\r
12639 address = {Dordrecht},
\r
12643 author = {Pande, V.S. and Rokhsar, D.S.},
\r
12644 title = {Molecular dynamics simulations of unfolding and refolding of a b hairpin fragment of protein G},
\r
12645 journal = {Proceedings of the National Academy of Science (USA)},
\r
12647 pages = {9062–9067},
\r
12648 keywords = {journal
\r
12649 National Academy of Science (USA)
\r
12651 molecular modelling
\r
12652 molecular structure},
\r
12656 @book{Pap2002_book,
\r
12657 author = {Pap, E.},
\r
12658 title = {Handbook of measure theory},
\r
12659 publisher = {North Holland/Elsevier},
\r
12660 address = {Amsterdam, Boston},
\r
12664 author = {Papalexandri, K. P. and Pistikopoulos, E. N. and Floudas, A.},
\r
12665 title = {Mass Exchange Networks for Waste Minimization - a Simultaneous Approach},
\r
12666 journal = {Chemical Engineering Research and Design},
\r
12669 pages = {279-294},
\r
12670 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
12671 Reprint available from: Pistikopoulos EN UNIV LONDON IMPERIAL COLL SCI TECHNOL and MED DEPT CHEM ENGN CTR PROC SYST ENGN PRINCE CONSORT RD LONDON SW7 2BY ENGLAND UNIV LONDON IMPERIAL COLL SCI TECHNOL and MED DEPT CHEM ENGN and CHEM TECHNOL LONDON SW7 2AZ ENGLAND PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0002},
\r
12672 abstract = {The synthesis problem of mass-exchange networks is addressed in this paper, where a number of process streams, rich in terms of certain components (typically pollutants) are integrated with lean process or utility streams in order to meet process specifications (e.g. environmental regulations) on their final compositions. A mathematical programming approach is adopted, based on a hyperstructure representation of the mass exchange network. The synthesis problem is then formulated as a mixed integer nonlinear programming optimization problem (MINLP), where both network operating and investment cost are optimized simultaneously. In contrast to all previously published work that simplifies the problem by assuming decomposition based on the concept of 'pinch', this paper treats the synthesis of mass exchange networks without decomposition. In the first part, the case of a single component is examined, whereas mass exchange in multiple components can be handled in a straightforward manner. In the second part the approach is applied to reactive mass exchange networks, where chemical sorption takes place. In the third part, the mass exchange hyperstructure is extended to include regeneration of the lean streams. A number of examples illustrate the applicability of the proposed approach to several problems of waste minimization and demonstrate the impact of simultaneously minimizing operating and investment cost. [References: 26] 26},
\r
12673 keywords = {Waste minimization. Mass exchange networks (mens). Minlp.
\r
12675 Reprint available from: Pistikopoulos EN. UNIV LONDON IMPERIAL COLL SCI
\r
12676 TECHNOL and MED, DEPT CHEM ENGN, CTR PROC SYST ENGN, PRINCE CONSORT RD.},
\r
12680 author = {Pappu, R. V. and Hart, R. K. and Ponder, J. W.},
\r
12681 title = {Analysis and application of potential energy smoothing and search methods for global optimization},
\r
12682 journal = {Journal of Physical Chemistry B},
\r
12685 pages = {9725-9742},
\r
12686 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
12687 Reprint available from: Ponder JW Washington Univ, Sch Med, Dept Biochem and Mol Biophys St Louis, MO 63110 USA Washington Univ, Sch Med, Dept Biochem and Mol Biophys St Louis, MO 63110 USA 0016 J. Phys. Chem. B},
\r
12688 abstract = {Global energy optimization of a molecular system is difficult due to the well-known "multiple minimum" problem. The rugged potential energy surface (PES) characteristic of multidimensional systems can be transformed reversibly using potential smoothing to generate a new surface that is easier to search for favorable configurations. The diffusion equation method (DEM) is one example of a potential smoothing algorithm. Potential smoothing as implemented in DEM is intuitively appealing and has certain appropriate statistical mechanical properties, but often fails to identify the global minimum even for relatively small problems. In the present paper, extensions to DEM capable of correcting its empirical behavior are systematically investigated. Two types of local search (LS) procedures are applied during the reversing schedule from the smooth deformed PES to the undeformed surface. Changes needed to generate smoothable versions of standard molecular mechanics force fields such as AMBER/OPLS and MM2 are also described. The resulting methods are applied in an attempt to determine the global energy minimum for a variety of systems in different coordinate representations. The problems studied include argon clusters, cycloheptadecane, capped polyalanine, and the docking of a-helices. Depending on the specific problem, potential smoothing and search (PSS) is performed in Cartesian, torsional, or rigid body space. For example, PSS finds a very low energy structure for cycloheptadecane with much greater efficiency than a search restricted to the undeformed potential surface. It is shown that potential smoothing is characterized by three salient features. As the level of smoothing is increased, unique minima merge into a common basin, crossings can occur in the relative energies of a pair of minima, and the spatial locations of minima are shifted due to the averaging effects of smoothing. Local search procedures improve the ability of smoothing methods to locate global minima because they facilitate the post facto correction of errors due to energy crossings that may have occurred at higher levels of smoothing. PSS methods should serve as useful tools for global energy optimization on a variety of difficult problems of practical interest. [References: 68] 68},
\r
12689 keywords = {Diffusion equation method. Finding transition-states. Multiple-minima
\r
12690 problem. Conformational-analysis. Molecular-dynamics. Density
\r
12691 distribution. Helix packing. Force-field. Minimization. Clusters.
\r
12692 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
12693 Chemical and Earth Sciences.
\r
12695 Reprint available from: Ponder JW. Washington Univ, Sch Med, Dept Biochem
\r
12696 and Mol Biophys, St Louis, MO 63110, USA, .},
\r
12700 @book{Pardalos2002_book,
\r
12701 author = {Pardalos, P. and Romeijn, H.E.},
\r
12702 title = {Handbook of Global Optimization},
\r
12703 publisher = {Kluwer Academic Publishers},
\r
12704 address = {Dordrecht},
\r
12709 author = {Pardalos, P.M.},
\r
12710 title = {Approximation and Complexity in Numerical Optimization: Continuous and Discrete Problems},
\r
12711 publisher = {Kluwer Academic Publishers},
\r
12712 address = {Dordrecht},
\r
12714 series = {Nonconvex Optimization and its Applications},
\r
12715 abstract = {There has been much recent progress in approximation algorithms for nonconvex continuous and discrete problems, from both a theoretical and a practical perspective. In discrete (or combinatorial) optimization many approaches have been developed recently that link the discrete universe to the continuous universe through geometric, analytic, and algebraic techniques. Such techniques include global optimization formulations, semidefinite programming, and spectral theory. As a result new approximate algorithms have been discovered and many new computational approaches have been developed. Similarly, for many continuous nonconvex optimization problems, new approximate algorithms have been developed based on semidefinite programming and new randomization techniques. On the other hand, computational complexity, originating from the interactions between computer science and numerical optimization, is one of the major theories that have revolutionized the approach to solving optimization problems and to analyzing their intrinsic difficulty. The main focus of complexity is the study of whether existing algorithms are efficient for the solution of problems, and which problems are likely to be tractable. The quest for developing efficient algorithms leads also to elegant general approaches for solving optimization problems, and reveals surprising connections among problems and their solutions. The two themes of approximation and complexity pervade this book.},
\r
12716 keywords = {global optimization},
\r
12720 @book{Pardalos2000_book,
\r
12721 author = {Pardalos, P. M. and Floudas, C. A.},
\r
12722 title = {Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches},
\r
12723 publisher = {Kluwer Academic Publishers},
\r
12724 address = {Boston},
\r
12726 series = {Nonconvex Optimization and its Applications},
\r
12728 edited by C.A. Floudas and P.M. Pardalos.},
\r
12729 keywords = {Chemistry Mathematical models.
\r
12730 Molecular biology Mathematical models.},
\r
12734 @book{Pardalos2002_handbook,
\r
12735 author = {Pardalos, P.M. and Resende, G.C.},
\r
12736 title = {Handbook of Applied Optimization},
\r
12737 publisher = {Oxford University Press},
\r
12738 address = {New York ; Oxford},
\r
12742 author = {Pardalos, P. M. and Rosen, J. B.},
\r
12743 title = {Constrained global optimization: algorithms and applications},
\r
12744 publisher = {Springer-Verlag},
\r
12745 address = {Berlin; New York},
\r
12747 P.M. Pardalos, J.B. Rosen.
\r
12748 Lecture notes in computer science; 268.
\r
12749 Includes bibliographies.
\r
12750 Lecture notes in computer science, 268.},
\r
12751 keywords = {Mathematical optimization.
\r
12752 Nonlinear programming.},
\r
12756 author = {Pardalos, P. M. and Shalloway, D. and Xue, G.},
\r
12757 title = {Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding},
\r
12758 publisher = {American Mathematical Society},
\r
12760 series = {DIMACS Series in Discrete Mathematics and Theoretical Computer Science},
\r
12761 abstract = {This book contains refereed papers presented at a remarkable interdisciplinary scientific meeting attended by a mix of leading biochemists and computer scientists held at DIMACS in March 1995. It describes the development of a variety of new methods which are being developed for attacking the important problem of molecular structure.
\r
12764 Focuses on global optimization algorithms and heuristics for molecular conformation and protein folding problems
\r
12765 Presents the most efficient recent algorithms
\r
12766 Covers a spectrum of algorithmic issues and applications
\r
12769 P. Amara, J. Ma, and J. E. Straub -- Global minimization on rugged energy landscapes
\r
12770 R. E. Bruccoleri -- Energy directed conformational search of protein loops and segments
\r
12771 R. H. Byrd, E. Eskow, A. van der Hoek, R. B. Schnabel, C.-S. Shao, and Z. Zou -- Global optimization methods for protein folding problems
\r
12772 B. W. Church, M. Oresic, and D. Shalloway -- Tracking metastable states to free-energy global minima
\r
12773 J. Gu and B. Du -- A multispace search algorithm for molecular energy minimization
\r
12774 H. A. Hauptman -- A minimal principle in the phase problem of X-ray crystallography
\r
12775 X. Hu, D. Xu, K. Hamer, K. Schulten, J. Koepke, and H. Michel -- Knowledge based structure prediction of the light-harvesting complex II of Rhodospirillum molishianum
\r
12776 J. Kostrowicki and H. A. Scheraga -- Some approaches to the multiple-minima problem in protein folding
\r
12777 P. Androulakis and C. A. Floudas -- A deterministic global optimization approach for the protein folding problem
\r
12778 J. J. Moré and Z. Wu -- $\varepsilon$-optimal solutions to distance geometry problems via global continuation
\r
12779 R. Pachter, Z. Wang, J. A. Lupo, S. B. Fairchild, and B. Sennett -- The design of chromophore containing biomolecules
\r
12780 A. T. Phillips, J. B. Rosen, and V. H. Walke -- Molecular structure determination by convex global underestimation of local energy minima
\r
12781 A. Sali, E. Shakhnovich, and M. Karplus -- Thermodynamics and kinetics of protein folding
\r
12782 G. Ramachandran and T. Schlick -- Beyond optimization: Simulating the dynamics of supercoiled DNA by a macroscopic model
\r
12783 M. Vieth, A. Kolinski, C. L. Brooks III, and J. Skolnick -- A hierarchical approach to the prediction of the quaternary structure of GCN4 and its mutants
\r
12784 G. L. Xue, A. J. Zall, and P. M. Pardalos -- Rapid evaluation of potential energy functions in molecular and protein conformations
\r
12785 M. M. Zacharias and D. G. Vlachos -- Simulated annealing calculations for optimization of nanoclusters: The roles of quenching, nucleation, and isomerization in cluster morphology},
\r
12786 keywords = {American Mathematical Society (AMS)
\r
12787 global optimization},
\r
12791 @article{PasRoul1977,
\r
12792 author = {Passow, E. and Roulier, J. A.},
\r
12793 title = {Monotone and Convex Spline Interpolation},
\r
12794 journal = {SIAM J. Numer. Anal.},
\r
12796 pages = {904-909},
\r
12797 abstract = {For a set of monotone (and/or convex) data, we consider the possibility of finding a spline interpolant, of pre-determined smoothness, which is monotone (and/or convex). The investigation is carried out by constructing an auxiliary set of points and using the well-known monotonicity and convexity preserving properties of Bernstein polynomials. In § 3 we consider the problem of piecewise monotone interpolation.},
\r
12801 author = {Paternain, D. and Bustince, H. and Fernandez, J. and Beliakov, G. and Mesiar, R.},
\r
12802 title = {Some averaging functions in image reduction},
\r
12806 @inproceedings{Paternain2010_FUZZIEEE,
\r
12807 author = {Paternain, D. and Bustince, H. and Fernandez, J. and Beliakov, G. and Mesiar, R.},
\r
12808 title = {Image reduction with local reduction operators},
\r
12809 booktitle = { IEEE International Conference on Fuzzy Systems },
\r
12810 address = {Barcelona, Spain},
\r
12811 publisher = {IEEE},
\r
12813 keywords = {image reconstruction
\r
12815 mathematical operators
\r
12816 averaging function
\r
12818 local reduction operator},
\r
12822 author = {Paternain, D. and Bustince, H. and Fernandez, J. and Beliakov, G. and Mesiar, R.},
\r
12823 title = {Image reduction with local reduction operators},
\r
12824 booktitle = {2010 IEEE International Conference on Fuzzy Systems },
\r
12826 keywords = {image reconstruction
\r
12828 mathematical operators
\r
12829 averaging function
\r
12831 local reduction operator},
\r
12835 @article{PaternainLNCS_2010,
\r
12836 author = {Paternain, D. and Bustince, H. and Fernandez, J. and Beliakov, G. and Mesiar, R.},
\r
12837 title = {Some Averaging Functions in Image Reduction},
\r
12838 journal = {LNCS},
\r
12840 pages = {399-408},
\r
12844 author = {Paternain, D. and Jurio, A. and Pagola, M. and Bustince, H. and Beliakov, G.},
\r
12845 title = {One image reduction algorithm for RGB color images},
\r
12846 publisher = {Atlantis Press},
\r
12847 pages = {366-373},
\r
12851 @incollection{Paternain2012_inbook,
\r
12852 author = {Paternain, D. and Lopez-Molina, C. and Bustince, H. and Mesiar, R. and Beliakov, G.},
\r
12853 title = {Image Reduction Using Fuzzy Quantifiers},
\r
12854 booktitle = {Advances in Intelligent and Soft Computing},
\r
12855 editor = {Melo-Pinto, Pedro and Couto, Pedro and Serôdio, Carlos and Fodor, János and De Baets, Bernard},
\r
12856 series = {Advances in Intelligent and Soft Computing},
\r
12857 publisher = {Springer },
\r
12858 address = {Berlin / Heidelberg},
\r
12860 pages = {351-362},
\r
12864 author = {Pathak, J. A. and Colby, R. H. and Floudas, G. and Jerome, R.},
\r
12865 title = {Dynamics in miscible blends of polystyrene and poly(vinyl methyl ether)},
\r
12866 journal = {Macromolecules},
\r
12869 pages = {2553-2561},
\r
12870 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
12871 Reprint available from: Colby RH Penn State Univ, Dept Mat Sci and Engn University Pk, PA 16802 USA Penn State Univ, Dept Mat Sci and Engn University Pk, PA 16802 USA Penn State Univ, Dept Chem Engn University Pk, PA 16802 USA FORTH, Inst Elect Struct and Laser Heraklion 71110 Crete Greece Univ Liege, Ctr Educ and Res Macromol B-4000 Liege Belgium 0021 Macromolecules},
\r
12872 abstract = {We report results on the linear viscoelasticity (oscillatory shear in the temperature range T-g(glass-transition temperature) less than or equal to T less than or equal to T-g+ 90 K) of miscible blends of polystyrene (PS) and poly(vinyl methyl ether) (PVME) and segmental relaxations, measured by dielectric spectroscopy. The Flory-Huggins interaction parameter of this blend is weakly negative, and the glass transitions of the pure components are quite disparate (Delta T-g = 125 K). PS/PVME blends have been found to be consistently thermorheologically complex at both the segmental and terminal levels: the empirical time-temperature superposition (tTS) principle applies to neither their oscillatory shear response nor their dielectric response. Using the tube model, we quantitatively compare dielectric and mechanical results. At low temperatures, the effective time scale for motion of a Kuhn segment (the shortest Rouse mode) is near the long-time end of the distribution of segmental relaxation times of PVME, in both the pure and blended states. The slowest relaxing segments thus control the longer-time relaxation processes of the chains. Miscible blends with weak interactions and large Delta T-g have concentration fluctuations that broaden the distribution of segmental relaxation times. This distribution narrows as the temperature is raised in the blend, leading to the failure of tTS for terminal dynamics. [References: 88] 88},
\r
12873 keywords = {Time-temperature superposition. Glass-transition temperature. Angle
\r
12874 neutron-scattering. Polymer blends. Polyvinyl methyl-ether).
\r
12875 Viscoelastic properties. Component dynamics. Phase-separation.
\r
12876 Segmental relaxation. Amorphous polymers.
\r
12877 Organic Chemistry/Polymer Science in Current Contents(R)/Physical,
\r
12878 Chemical and Earth Sciences.
\r
12880 Reprint available from: Colby RH. Penn State Univ, Dept Mat Sci and Engn,
\r
12881 University Pk, PA 16802, USA, .},
\r
12885 author = {Patriksson, Michael},
\r
12886 title = {A survey on the continuous nonlinear resource allocation problem},
\r
12887 journal = {European Journal of Operational Research},
\r
12891 note = {doi: DOI: 10.1016/j.ejor.2006.12.006},
\r
12892 keywords = {Convex programming
\r
12894 Large scale optimization
\r
12896 Nonlinear programming},
\r
12900 @article{Pedrycz2008_EJOR,
\r
12901 author = {Pedrycz, W.},
\r
12902 title = {Statistically grounded logic operators in fuzzy sets},
\r
12903 journal = {Europ. J. Oper. Res.},
\r
12905 pages = {520-529},
\r
12909 @article{Pelupessy2003_AA,
\r
12910 author = {Pelupessy, F. I. and Schaap, W. E. and van de Weygaert, R.},
\r
12911 title = {Density Estimators in Particle Hydrodynamics: DTFE versus regular SPH},
\r
12912 journal = {Astron.Astrophys.},
\r
12914 pages = {389-398},
\r
12918 @article{Pena1999,
\r
12919 author = {Pena, D. and Yohai, V.},
\r
12920 title = {A Fast Procedure for Outlier Diagnostics in Large Regression Problems},
\r
12921 journal = {Journal of the American Statistical Association},
\r
12924 pages = {434-445},
\r
12928 author = {Perkins, M.V. and Sampson, R.A.},
\r
12929 title = {Stereoselective synthesis of dihydropyrone-containing marine natural products. Total synthesis and structural elucidation of (-)-membrenone-C},
\r
12930 journal = {Organic Letters},
\r
12933 pages = {123-126},
\r
12934 keywords = {journal
\r
12935 American Chemical Society (ACS)
\r
12938 diastereoisomer},
\r
12942 author = {Perkins, M.V. and Sampson, R.A.},
\r
12943 title = {Total synthesis of (-)-(6S,7S,8S,9R,10S,2'S)-membrenone-A and (-)-(6S,7S,8S,9R,10S)-membrenone-B and structural assignment of (-)-membrenone-C},
\r
12944 journal = {Organic Letters},
\r
12947 pages = {1655-1658},
\r
12948 keywords = {journal
\r
12949 American Chemical Society (ACS)
\r
12952 diastereoisomer},
\r
12956 @article{Peters2011,
\r
12957 author = {Peters, Hagen and Schulz-Hildebrandt, Ole and Luttenberger, Norbert},
\r
12958 title = {Fast in-place, comparison-based sorting with CUDA: a study with bitonic sort},
\r
12959 journal = {Concurr. Comput. : Pract. Exper.},
\r
12962 pages = {681-693},
\r
12966 @misc{Peters2012,
\r
12967 author = {Peters, H. and Schulz-Hildebrandt, O. and Luttenberger, N.},
\r
12968 title = {A novel sorting algorithm for many-core architectures based on adaptive bitonic sort.},
\r
12969 publisher = {IEEE},
\r
12973 author = {Petychakis, L. and Floudas, G. and Fleischer, G.},
\r
12974 title = {Chain Dynamics of Polyisoprene Confined in Porous Media - a Dielectric Spectroscopy Study},
\r
12975 journal = {Europhysics Letters},
\r
12978 pages = {685-690},
\r
12979 note = {Current Contents/Physical, Chemical and Earth Sciences
\r
12980 Reprint available from: Petychakis L FDN RES and TECHNOL HELLAS INST ELECT STRUCT and LASER POB 1527 IRAKLION 71110 CRETE GREECE UNIV LEIPZIG DEPT PHYS D-04103 LEIPZIG GERMANY},
\r
12981 abstract = {The global dynamics of polyisoprene (PI) in the controlled porous glass (CPG) Bioran have been studied with dielectric spectroscopy by varying the end-to-end vector ([r(2)](1/2)) of the chain from dimensions smaller to much larger compared to the pore radius. Pulsed-field gradient NMR is used for the same systems and shows that all polymer chains are localized within the pores - no free PI exists. We find that the effect of confinement on the length scale of the chain relaxation shows both in the breadth and in the dynamics. In all cases the PI normal mode within the pores is significantly broadened with respect to bulk PI. The effect on the dynamics was found to depend on the size of the chain with respect to the pore radius. Silinization of the CPG has a pronounced effect on the amplitude and dynamics of the segmental and chain relaxations. [References: 17]},
\r
12982 keywords = {Glass-transition. Liquids. Relaxation. Solvation. Behavior. Pores.
\r
12987 author = {Pfeffer, F.M. and Gunnlaugsson, T. and Jensen, P. and Kruger, P.E.},
\r
12988 title = {Anion recognition using preorganized thiourea functionalized [3]polynorbornane receptors},
\r
12989 journal = {Organic Letters},
\r
12992 pages = {5357-5360},
\r
12993 abstract = {A new family of [3]polynorbornane frameworks exhibiting conformationally preorganised thiourea receptors have been designed and synthesized specifically for anion recognition. These cleft-like receptors show excellent affinity for the biologically relevant dihydrogen-phosphate (H2PO4–) and hydrogenpyrophosphate (HP2O73– Hppi3–) anions.},
\r
12997 author = {Pfeffer, F.M. and Gunnlaugsson, T. and Jensen, P. and Kruger, P.E.},
\r
12998 title = {First examples of functionalised [3]polynorbornanes for anion recognition},
\r
12999 journal = {Organic Letters},
\r
13001 pages = {5357-5360},
\r
13002 abstract = {A new family of [3]polynorbornane frameworks exhibiting conformationally preorganised thiourea receptors have been designed and synthesized specifically for anion recognition. These cleft-like receptors show excellent affinity for the biologically relevant dihydrogen-phosphate (H2PO4?) and hydrogenpyrophosphate (HP2O73? Hppi3?) anions.},
\r
13006 author = {Phansalkar, V. V. and Thathachar, M. A. L.},
\r
13007 title = {Local and Global Optimization Algorithms for Generalized Learning Automata},
\r
13008 journal = {Neural Computation},
\r
13011 pages = {950-973},
\r
13012 note = {Current Contents/Life Sciences Current Contents/Engineering, Technology and Applied Sciences.
\r
13013 Reprint available from: Phansalkar VV INDIAN INST SCI DEPT ELECT ENGN BANGALORE 560012 KARNATAKA INDIA 0007},
\r
13014 abstract = {This paper analyzes the long-term behavior of the REINFORCE and related algorithms (Williams 1986, 1988, 1992) for generalized learning automata (Narendra and Thathachar 1989) for the associative reinforcement learning problem (Barto and Anandan 1985). The learning system considered here is a feedforward connectionist network of generalized learning automata units. We show that REINFORCE is a gradient ascent algorithm but can exhibit unbounded behavior. A modified version of this algorithm, based on constrained optimization techniques, is suggested to overcome this disadvantage. The modified algorithm is shown to exhibit local optimization properties. A global version of the algorithm, based on constant temperature heat bath techniques, is also described and shown to converge to the global maximum. All algorithms are analyzed using weak convergence techniques. [References: 21] 21},
\r
13015 keywords = {Reinforcement.
\r
13016 Neurosciences and behavior
\r
13017 Ai, robotics and automatic control.
\r
13018 Reprint available from: Phansalkar VV. INDIAN INST SCI, DEPT ELECT ENGN,
\r
13019 BANGALORE 560012, KARNATAKA.},
\r
13023 author = {Phong, T. Q.},
\r
13024 title = {An Algorithm for Solving General Dc Programming Problems},
\r
13025 journal = {Operations Research Letters},
\r
13029 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
13030 Reprint available from: Phong TQ INST NATL SCI APPL ROUEN LMI BP 08 F-76131 MONT ST AIGNAN FRANCE 0002},
\r
13031 abstract = {We consider the problem of globally minimizing a d.c. (difference of two convex functions) function under d.c. constraints. Under a certain condition the problem can be reduced to an unconstrained d.c. minimization problem. A simple outer approximation algorithm is then proposed. [References: 8] 8},
\r
13032 keywords = {Nonlinear. Dc programming. Global optimization. Outer approximation.
\r
13033 Global optimization.
\r
13034 General/management.
\r
13035 Reprint available from: Phong TQ. INST NATL SCI APPL ROUEN, LMI, BP 08,
\r
13036 F-76131 MONT ST AIGNAN.},
\r
13040 @article{Pijavski1972,
\r
13041 author = {Pijavski, S.A.},
\r
13042 title = {An algorithm for finding the absolute extremum of a function},
\r
13043 journal = {USSR Comput. Math. and Math. Phys.},
\r
13049 author = {Pillardy, Jaroslaw and Czaplewski, Cezary and Liwo, Adam and Lee, Jooyoung and Ripoll, Daniel R. and Kazmierkiewicz, Rajmund and Oldziej, Stanislaw and Wedemeyer, William J. and Gibson, Kenneth D. and Arnautova, Yelena A. and Saunders, Jeff and Ye, Yuan-Jie and Scheraga, Harold A.},
\r
13050 title = {Recent improvements in prediction of protein structure by global optimization of a potential energy function},
\r
13051 journal = {Proceedings of the National Academy of Sciences of the United States},
\r
13055 abstract = {Recent improvements of a hierarchical ab initio or de novo approach for predicting both [Alpha] and [Beta] structures of proteins are described. The united-residue energy function used in this procedure includes multibody interactions from a cumulant expansion of the free energy of polypeptide chains, with their relative weights determined by Z-score optimization. The critical initial stage of the hierarchical procedure involves a search of conformational space by the conformational space annealing (CSA) method, followed by optimization of an all-atom model. The procedure was assessed in a recent blind test of protein structure prediction (CASP4). The resulting lowest-energy structures of the target proteins (ranging in size from 70 to 244 residues) agreed with the experimental structures in many respects. The entire experimental structure of a cyclic [Alpha]-helical protein of 70 residues was predicted to within 4.3 [Angstrom] [Alpha]-carbon ([C.sup.[Alpha]]) rms deviation (rmsd) whereas, for other [Alpha]-helical proteins, fragments of roughly 60 residues were predicted to within 6.0 [Angstrom] [C.sup.[Alpha]] rmsd. Whereas [Beta] structures can now be predicted with the new procedure, the success rate for [Alpha]/[Beta]- and [Beta]-proteins is lower than that for [Alpha]-proteins at present. For the [Beta] portions of [Alpha]/[Beta] structures, the [C.sup.[Alpha]] rmsd's are less than 6.0 [Angstrom] for contiguous fragments of 30-40 residues; for one target, three fragments (of length 10, 23, and 28 residues, respectively) formed a compact part of the tertiary structure with a [C.sup.[Alpha]] rmsd less than 6.0 [Angstrom]. Overall, these results constitute an important step toward the ab initio prediction of protein structure solely from the amino acid sequence.},
\r
13056 keywords = {Polypeptides Physiological aspects
\r
13057 Proteins Structure
\r
13062 author = {Pillardy, Jaroslaw and Liwo, Adam and Scheraga, Harold A.},
\r
13063 title = {An efficient deformation-based global optimization method (self-consistent basin-to-deformed-basin mapping (SCBDBM)). Application to Lennard-Jones atomic clusters},
\r
13064 journal = {Journal of Physical Chemistry A},
\r
13067 pages = {9370(8)},
\r
13068 abstract = {The self-consistent basin-to-deformed-basin mapping method has been applied to global optimization of Lennard-Jones atomic clusters. This method has been demonstrated to be a very efficient method of global optimization.},
\r
13069 keywords = {Mathematical optimization Technique
\r
13070 Protein folding Research},
\r
13074 @book{Pinter2006_book,
\r
13075 author = {Pinter, J.},
\r
13076 title = {Global Optimization with Maple},
\r
13077 publisher = {Pintér Consulting Services Inc.},
\r
13078 address = {Halifax},
\r
13082 @misc{Pinter_LGO,
\r
13083 author = {Pinter, J.},
\r
13084 title = {LGO solver suite for global and local optimization},
\r
13088 @book{Pinter2007_book,
\r
13089 author = {Pinter, J.},
\r
13090 title = {Applied Nonlinear Optimization in Modeling Environments},
\r
13091 publisher = {CRC Press},
\r
13092 address = {Boca Raton, FL},
\r
13096 @book{Pinter1996_book,
\r
13097 author = {Pintér, J.},
\r
13098 title = {Global Optimization in Action: Continuous and Lipschitz Optimization--Algorithms, Implementations, and Applications},
\r
13099 publisher = {Kluwer Academic Publishers},
\r
13100 address = {Dordrecht; Boston},
\r
13101 series = {Nonconvex optimization and its applications; v. 6.},
\r
13102 keywords = {Mathematical optimization.
\r
13103 Nonlinear programming.},
\r
13107 @article{Pison2002,
\r
13108 author = {Pison, G. and Van Aelst, S. and Willems, G.},
\r
13109 title = {Small Sample Corrections for LTS and MCD},
\r
13110 journal = {Metrika},
\r
13112 pages = {111-123},
\r
13116 author = {Pispas, S. and Floudas, G. and Hadjichristidis, N.},
\r
13117 title = {Microphase separation in ABC block copolymers with a short but strongly interacting middle block},
\r
13118 journal = {Macromolecules},
\r
13121 pages = {9074-9077},
\r
13122 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
13123 Reprint available from: Floudas G FORTH, Inst Elect Struct and Laser POB 1527 GR-71110 Iraklion Greece FORTH, Inst Elect Struct and Laser GR-71110 Iraklion Greece Univ Athens, Dept Chem GR-15771 Athens Greece 0053 Macromolecules},
\r
13124 keywords = {Triblock copolymers. C-block. Isoprene. Styrene. Morphology.
\r
13126 Organic Chemistry/Polymer Science in Current Contents(R)/Physical,
\r
13127 Chemical and Earth Sciences.
\r
13129 Reprint available from: Floudas G. FORTH, Inst Elect Struct and Laser, POB
\r
13130 1527, GR-71110 Iraklion, Greece.},
\r
13134 @misc{Pitsoulis2009,
\r
13135 author = {Pitsoulis, L. and Zioutas, G.},
\r
13136 title = {A Fast Algorithm for Robust Regression with Penalised Trimmed Squares},
\r
13137 abstract = {The presence of groups containing high leverage outliers makes linear regression
\r
13138 a difficult problem due to the masking effect. The available high
\r
13139 breakdown estimators based on Least Trimmed Squares often do not succeed
\r
13140 in detecting masked high leverage outliers in finite samples.
\r
13141 An alternative to the LTS estimator, called Penalised Trimmed Squares
\r
13142 (PTS) estimator, was introduced by the authors in [28, 29] and it appears
\r
13143 to be less sensitive to the masking problem. This estimator is defined by
\r
13144 a Quadratic Mixed Integer Programming (QMIP) problem, where in the
\r
13145 objective function a penalty cost for each observation is included which
\r
13146 serves as an upper bound on the residual error for any feasible regression
\r
13147 line. Since the PTS does not require presetting the number of outliers
\r
13148 to delete from the data set, it has better efficiency with respect to other
\r
13149 estimators. However, due to the high computational complexity of the
\r
13150 resulting QMIP problem, exact solutions for moderately large regression
\r
13151 problems is infeasible.
\r
13152 In this paper we further establish the theoretical properties of the
\r
13153 PTS estimator, such as high breakdown and efficiency, and propose an
\r
13154 approximate algorithm called Fast-PTS to compute the PTS estimator
\r
13155 for large data sets efficiently. Extensive computational experiments on
\r
13156 sets of benchmark instances with varying degrees of outlier contamination,
\r
13157 indicate that the proposed algorithm performs well in identifying groups
\r
13158 of high leverage outliers in reasonable computational time.},
\r
13162 @article{Pitsoulis2010,
\r
13163 author = {Pitsoulis, L. and Zioutas, G.},
\r
13164 title = {A Fast Algorithm for Robust Regression with Penalised Trimmed Squares},
\r
13165 journal = {Computational Statistics},
\r
13166 volume = {just appeared in "Online First"},
\r
13167 abstract = {The presence of groups containing high leverage outliers makes linear regression a difficult problem due to the masking effect. The available high breakdown estimators based on Least Trimmed Squares often do not succeed in detecting masked high leverage outliers in finite samples. An alternative to the LTS estimator, called Penalised Trimmed Squares (PTS) estimator, was introduced by the authors in Zioutas and Avramidis (2005) Acta Math Appl Sin 21:323–334, Zioutas et al. (2007) REVSTAT 5:115–136 and it appears to be less sensitive to the masking problem. This estimator is defined by a Quadratic Mixed Integer Programming (QMIP) problem, where in the objective function a penalty cost for each observation is included which serves as an upper bound on the residual error for any feasible regression line. Since the PTS does not require presetting the number of outliers to delete from the data set, it has better efficiency with respect to other estimators. However, due to the high computational complexity of the resulting QMIP problem, exact solutions for moderately large regression problems is infeasible. In this paper we further establish the theoretical properties of the PTS estimator, such as high breakdown and efficiency, and propose an approximate algorithm called Fast-PTS to compute the PTS estimator for large data sets efficiently. Extensive computational experiments on sets of benchmark instances with varying degrees of outlier contamination, indicate that the proposed algorithm performs well in identifying groups of high leverage outliers in reasonable computational time.},
\r
13168 year = {January 7, 2009}
\r
13171 author = {Plazek, D. J. and Bero, C. A. and Neumeister, S. and Floudas, G. and Fytas, G. and Ngai, K. L.},
\r
13172 title = {Viscoelastic Properties of Amorphous Polymers .3 - Low Molecular Weight Poly(Methylphenylsiloxane)},
\r
13173 journal = {Colloid and Polymer Science},
\r
13176 pages = {1430-1438},
\r
13177 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
13178 Reprint available from: Plazek DJ UNIV PITTSBURGH DEPT MAT SCI and ENGN PITTSBURGH, PA 15261 USA FDN RES and TECHNOL HELLAS IRAKLION GREECE USN RES LAB WASHINGTON, DC 20375 USA 0013},
\r
13179 abstract = {By making creep and recoverable creep measurements of a nearly monodisperse low molecular weight poly(methyl phenyl siloxane) sample, we have found on decreasing temperature towards T-g that there is continuously a change in the viscoelastic spectrum concomitant with a decrease of the steady-state recoverable compliance. This behavior is exactly the same as previously observed in low molecular weight poly(styrene), proving that this spectacular anomaly in the viscoelasticity of low molecular weight polymers is general and deserves an explanation. Photon correlation spectroscopic measurements performed on the same sample have extended the observation of the viscoelastic response to shorter times and the result corroborates the trend of variation established by the creep data. [References: 29] 29},
\r
13180 keywords = {Viscoelasticity. Creep compliance. Photon correlation spectroscopy.
\r
13181 Poly(methylphenylsiloxane).
\r
13182 Anomalous temperature-dependence. Poly(phenylmethyl siloxane).
\r
13183 Concentration fluctuations. Poly(propylene glycol). Terminal
\r
13184 dispersions. Glass-transition. Relaxation. Behavior. Dynamics.
\r
13186 Organic chemistry/polymer science.
\r
13187 Reprint available from: Plazek DJ. UNIV PITTSBURGH, DEPT MAT SCI and ENGN,
\r
13188 PITTSBURGH, PA 15261, USA.},
\r
13192 @book{Polyanin1998,
\r
13193 author = {Polyanin, A.D. and Manzhirov, A.V.},
\r
13194 title = {Handbook of integral equations},
\r
13195 publisher = {CRC Press},
\r
13196 address = {Boca Raton},
\r
13200 @article{Powell2002,
\r
13201 author = {Powell, M.J.D.},
\r
13202 title = {UOBYQA: unconstrained optimization by quadratic approximation},
\r
13203 journal = {Mathematical Programming},
\r
13205 pages = {555-582},
\r
13209 @techreport{Powell2004,
\r
13210 author = {Powell, M.J.D.},
\r
13211 title = {The NEWUOA software for unconstrained optimization without derivatives},
\r
13212 institution = {Technical Report DAMTP NA2004/08, Department of Applied Mathematics and Theoretical Physics, Cambridge University, Cambridge CB3 9EW, UK },
\r
13216 @incollection{Powell2006,
\r
13217 author = {Powell, M.J.D.},
\r
13218 title = {The NEWUOA software for unconstrained optimization without derivatives },
\r
13219 booktitle = {Large-Scale Nonlinear Optimization},
\r
13220 series = {Nonconvex Optimization and Its Applications},
\r
13221 publisher = {Springer US},
\r
13222 pages = {255-297},
\r
13223 abstract = {The NEWUOA software seeks the least value of a function F(x), x?Rn, when F(x) can be calculated for any vector of variables x. The algorithm is iterative, a quadratic model Q˜F being required at the beginning of each iteration, which is used in a trust region procedure for adjusting the variables. When Q is revised, the new Q interpolates F at m points, the value m = 2n + 1 being recommended. The remaining freedom in the new Q is taken up by minimizing the Frobenius norm of the change to ?2Q. Only one interpolation point is altered on each iteration. Thus, except for occasional origin shifts, the amount of work per iteration is only of order (m+n)2, which allows n to be quite large. Many questions were addressed during the development of NEWUOA, for the achievement of good accuracy and robustness. They include the choice of the initial quadratic model, the need to maintain enough linear independence in the interpolation conditions in the presence of computer rounding errors, and the stability of the updating of certain matrices that allow the fast revision of Q. Details are given of the techniques that answer all the questions that occurred. The software was tried on several test problems. Numerical results for nine of them are reported and discussed, in order to demonstrate the performance of the software for up to 160 variables.},
\r
13227 @article{Pradera2012_FSS,
\r
13228 author = {Pradera, Ana and Beliakov, Gleb and Bustince, Humberto},
\r
13229 title = {Aggregation functions and contradictory information},
\r
13230 journal = {Fuzzy Sets and Systems},
\r
13233 keywords = {Aggregation functions
\r
13235 Contradictory information
\r
13236 Bipolar aggregation},
\r
13240 author = {Pradera, A. and Beliakov, G. and Bustince, H. and Fernandez, J.},
\r
13241 title = {On (TS,N)-Fuzzy implications},
\r
13246 @article{Pradera2002_ijar,
\r
13247 author = {Pradera, A. and Trillas, E. and Calvo, T.},
\r
13248 title = {A general class of triangular norm-based aggregation operators: quasi-linear {T-S} operators},
\r
13249 journal = {Intl. J. of Approximate Reasoning},
\r
13251 pages = {57--72},
\r
13255 @phdthesis{Prause1999_thesis,
\r
13256 author = {Prause, K.},
\r
13257 title = {The Generalized Hyperbolic Model: Estimation, Financial Derivatives, and Risk Measures },
\r
13258 university = {Albert-Ludwigs Universit\"at},
\r
13259 type = {PhD Thesis},
\r
13263 author = {Preisach, Christine and Burkhardt, Hans and Schmidt-Thieme, Lars and Decker, Reinhold and Verde, Rosanna and Irpino, Antonio},
\r
13264 title = {A New Interval Data Distance Based on the Wasserstein Metric},
\r
13265 booktitle = {Data Analysis, Machine Learning and Applications},
\r
13266 series = {Studies in Classification, Data Analysis, and Knowledge Organization},
\r
13267 publisher = {Springer Berlin Heidelberg},
\r
13268 pages = {705-712},
\r
13269 keywords = {Computer Science},
\r
13273 author = {Press, A.H. and Teukolsky, S.A. and Vetterling, W.T. and Flannery, B.P.},
\r
13274 title = {Numerical Recipes in Fortran 77: The Art of Scientific Computing},
\r
13275 publisher = {Cambridge University Press},
\r
13276 address = {New York},
\r
13279 abstract = {FORTRAN subroutine library},
\r
13280 keywords = {graduate text
\r
13286 author = {Press, A.H. and Teukolsky, S.A. and Vetterling, W.T. and Flannery, B.P.},
\r
13287 title = {Numerical Recipes in C: The Art of Scientific Computing },
\r
13288 publisher = {Cambridge University Press},
\r
13289 address = {New York},
\r
13293 author = {Psarris, P. and Floudas, C. A.},
\r
13294 title = {Robust Stability Analysis of Systems with Real Parametric Uncertainty - a Global Optimization Approach},
\r
13295 journal = {International Journal of Robust and Nonlinear Control},
\r
13298 pages = {699-717},
\r
13299 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
13300 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA 0002},
\r
13301 abstract = {This paper presents an optimization framework for the robustness analysis of linear and nonlinear systems with real parameter uncertainty. For linear systems, a nonlinear programming formulation for the exact calculation of the stability margin is presented. The potential of decomposition-based global optimization methods for the solution of this nonconvex problem is discussed. Next the concept of the stability margin is extended to a class of nonlinear systems. A nonlinear stability margin and a uniqueness margin are defined to address the effect of parametric uncertainty on the stability of a particular steady state, as well as on the number of steady states of the system. This analysis allows for the derivation of necessary and sufficient conditions for robust stability and robust uniqueness of the steady state of the system in the presence of parametric uncertainty. [References: 33] 33},
\r
13302 keywords = {Robust stability analysis. Stability margin. Nonlinear stability
\r
13303 margin. Uniqueness margin.
\r
13304 Structured uncertainties.
\r
13305 Ai, robotics and automatic control.
\r
13306 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
13307 PRINCETON, NJ 08544, USA.},
\r
13311 author = {Qi, Liqun and Sun, Defeng and Zhou, Guanglu},
\r
13312 title = {A primal-dual algorithm for minimizing a sum of Euclidean norms},
\r
13313 journal = {J. Comput. Appl. Math.},
\r
13316 pages = {127-150},
\r
13321 author = {Qi, Liqun and Sun, Defeng and Zhou, Guanglu},
\r
13322 title = {A primal-dual algorithm for minimizing a sum of Euclidean norms},
\r
13323 journal = {Journal of Computational and Applied Mathematics},
\r
13326 pages = {127-150},
\r
13327 note = {doi: DOI: 10.1016/S0377-0427(01)00357-0},
\r
13328 keywords = {Primal-dual algorithm
\r
13332 Euclidean facilities location
\r
13333 Steiner minimum trees},
\r
13337 author = {Questier, F. and Walczak, B. and Massart, D.L. and Boucon, C. and de Jong, S.},
\r
13338 title = {Feature selection for hierarchical clustering},
\r
13339 journal = {Analytica Chimica Acta},
\r
13342 pages = {311-324},
\r
13343 abstract = {Feature selection is a valuable technique in data analysis for information-preserving data reduction. This paper describes a feature selection approach for hierarchical clustering based on genetic algorithms using a fitness function that tries to minimize the difference between the dissimilarity matrix of the original feature set and the one of the reduced feature sets. Clustering trees based on reduced feature sets are comparable with those based on the complete feature set. Special measures to favor small reduced feature sets are discussed.},
\r
13344 keywords = {journal
\r
13346 analytical chemistry
\r
13348 feature selection
\r
13349 genetic algorithm
\r
13350 hierarchical clustering},
\r
13354 author = {Rabinowitz, F. Michael},
\r
13355 title = {Algorithm 744: A stochastic algorithm for global optimization with constraints},
\r
13356 journal = {ACM Transactions on Mathematical Software},
\r
13359 pages = {p194(20)},
\r
13360 abstract = {A stochastic algorithm for determining the global optimum of an n-variabled function subject to common limitations is described. This algorithm, developed for moderate values of n, can also account for discontinuous objective and constraint functions. It can facilitate use of parallel processing. Comparison of the algorithm with Nelder-Mead Simplex algorithm and a Simulated Annealing Algorithm for nonlinear functions is discussed. Pseudocode listings are also given.},
\r
13361 keywords = {Algorithms Analysis
\r
13362 Numerical analysis Technique
\r
13363 Mathematical optimization Technique
\r
13364 Mathematical software Standards},
\r
13368 author = {Rabow, A. A. and Scheraga, H. A.},
\r
13369 title = {Lattice Neural Network Minimization - Application of Neural Network Optimization for Locating the Global-Minimum Conformations of Proteins},
\r
13370 journal = {Journal of Molecular Biology},
\r
13373 pages = {1157-1168},
\r
13374 note = {Current Contents/Life Sciences.
\r
13375 Reprint available from: Rabow AA CORNELL UNIV BAKER LAB CHEM ITHACA, NY 14853 USA 0011},
\r
13376 keywords = {Protein folding. Global optimization. Neural network optimization.
\r
13377 Lattice models. Chain-folding initiation sites.
\r
13378 Globular protein. Resolution. Chain. Model. Ribonuclease.
\r
13379 Simulations. Crambin. Nmr.
\r
13381 Molecular biology and genetics.
\r
13382 Reprint available from: Rabow AA. CORNELL UNIV, BAKER LAB CHEM, ITHACA,
\r
13387 @article{ralescu-80,
\r
13388 author = {Ralescu, D. and Adams, G. },
\r
13389 title = {The fuzzy integral},
\r
13390 journal = {J. Math. Anal. Appl.},
\r
13392 pages = {176-193},
\r
13396 @article{Ramsay1988_SS,
\r
13397 author = {Ramsay, J.O.},
\r
13398 title = {Monotone regression splines in action},
\r
13399 journal = {Statistical Science},
\r
13401 pages = {425-461},
\r
13405 author = {Ratschek, H. and Rokne, J.},
\r
13406 title = {New computer methods for global optimization},
\r
13407 publisher = {Horwood;
\r
13409 address = {Chichester, West Sussex, England
\r
13412 H. Ratschek and J. Rokne.
\r
13413 Mathematics and its applications.
\r
13415 Bibliography: p. 199-221.
\r
13416 Mathematics and its applications (Chichester, England: 1988). Numerical analysis, statistics, and operational research.},
\r
13417 keywords = {Mathematical optimization Data processing.
\r
13418 Interval analysis (Mathematics) Data processing.},
\r
13422 author = {Reiter, G. and Castelein, G. and Hoerner, P. and Riess, G. and Sommer, J. U. and Floudas, G.},
\r
13423 title = {Morphologies of diblock copolymer thin films before and after crystallization [Review]},
\r
13424 journal = {European Physical Journal A},
\r
13427 pages = {319-334},
\r
13428 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
13429 Reprint available from: Reiter G CNRS, Inst Chim Surfaces and Interfaces 15 Rue Jean Starcky,BP 2488 F-68057 Mulhouse France CNRS, Inst Chim Surfaces and Interfaces F-68057 Mulhouse France Ecole Natl Super Chim F-68093 Mulhouse France Univ Freiburg D-79104 Freiburg Germany Fdn Res and Technol Hellas, Inst Elect Struct and Laser Heraklion 71110 Crete Greece 0003 Eur. Phys. J. E},
\r
13430 abstract = {Spin-coated thin films of about 100 nm of low-molecular-weight hydrogenated poly(butadiene-b-ethyleneoxide) (PBh-PEO) diblock copolymers have been crystallized at various constant temperatures. Crystallization has been observed in real time by light microscopy. Detailed structural information was obtained by atomic force microscopy, mainly enabled by the large viscoelastic contrast between amorphous and crystalline regions. The behavior in thin films is compared to the bulk properties of the polymer. Crystallization started from an annealed microphase separated melt where optical microscopy indicated a lamellar orientation parallel to the substrate. A small difference in the length of the crystallizable block produced significantly different crystallization behavior, both in the bulk and in thin films. For thin films of the shortest diblock copolymer (45% PEO content) and for an undercooling larger than about 10 degrees, crystallization created vertically oriented lamellae. These vertical lamellae could be preferentially aligned over several micrometers when crystallization occurred close to a three-phase contact line. Annealing at temperatures closer to the melting point or keeping the sample at room temperature for several months allowed the formation of a lamellar structure parallel to the substrate. A tentative interpretation based on kinetically caused chain folding and relaxation within the crystalline state, with implications on general aspects of polymer crystallization, is presented. [References: 120] 120},
\r
13431 keywords = {Atomic-force microscopy. Equilibrium melting temperature. Poly(ethylene
\r
13432 oxide) fractions. Polymer single-crystals. X-ray-scattering.
\r
13433 Block-copolymers. Microphase separation. Triblock copolymers.
\r
13434 Growth-rate. Syndiotactic polypropylene.
\r
13435 Applied Physics/Condensed Matter/Materials Science in Current
\r
13436 Contents(R)/Physical, Chemical and Earth Sciences.
\r
13441 @article{Renaud2008_MCS,
\r
13442 author = {Renaud, J. and Levrat, E. and Fonteix, C.},
\r
13443 title = {Weights determination of {OWA} operators by parametric identification},
\r
13444 journal = {Mathematics and Computers in Simulation},
\r
13446 pages = {499?511},
\r
13450 author = {Renders, Jean-Michel and Flasse, Stephane P.},
\r
13451 title = {Hybrid methods using genetic algorithms for global optimization},
\r
13452 journal = {IEEE Transactions on Systems, Man, and Cybernetics--Part B: Cybernetics},
\r
13455 pages = {p243(16)},
\r
13456 abstract = {This paper discusses the trade-off between accuracy, reliability and computing time in global optimization. Particular compromises provided by traditional methods (Quasi-Newton and Nelder-Mead's Simplex methods) and Genetic Algorithms are addressed and illustrated by a particular application in the field of nonlinear system identification. Subsequently, new hybrid methods are designed, combining principles from Genetic Algorithms and "hill-climbing" methods in order to find a better compromise to the trade-off. Inspired by biology and especially by the manner in which living beings adapt themselves to their environment, these hybrid methods involve two interwoven levels of optimization, namely Evolution (Genetic Algorithms) and Individual Learning (Quasi-Newton), which cooperate in a global process of optimization. One of these hybrid methods appears to join the group of state-of-the-art global optimization methods: it combines the reliability properties of the Genetic Algorithms with the accuracy of Quasi-Newton method, while requiring a computation time only slightly higher than the latter.},
\r
13457 keywords = {Mathematical optimization Research
\r
13458 Combinatorial optimization Research},
\r
13462 author = {Rieping, W. and Habeck, M. and Bardiaux, B. and Bernard, A. and Malliavin, T.E. and Nilges, M.},
\r
13463 title = {ARIA2: automated NOE assignment and data integration in NMR structure calculation },
\r
13464 journal = {Bioinformatics },
\r
13465 volume = {in press},
\r
13469 author = {Rizos, A. K. and Floudas, G. and Brown, W.},
\r
13470 title = {Local and Global Motions in Concentrated Solutions of Poly(Methyl Methacrylate) Bis(2-Ethylhexyl Phthalate)},
\r
13471 journal = {Journal of Non-Crystalline Solids},
\r
13473 number = {Part 2},
\r
13474 pages = {790-793},
\r
13475 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
13476 Reprint available from: Rizos AK RES CTR CRETE POB 1527 GR-71409 IRAKLION GREECE UNIV CRETE DEPT CHEM GR-71409 IRAKLION GREECE MAX PLANCK INST POLYMER RES W-6500 MAINZ GERMANY UNIV UPPSALA INST PHYS CHEM S-75121 UPPSALA SWEDEN 0019},
\r
13477 abstract = {Photon correlation spectra (PCS) of the polarized and depolarized component of the scattered light have been recorded in concentrated solutions of low molecular weight poly(methylmethacrylate) (PMMA) in bis(2 ethylhexyl phthalate) (DOP), in the temperature range 250-360 K. At high temperatures, T, above the glass transition temperature, T-g, PCS probes the concentration fluctuations, whereas at lower T the faster density fluctuations also appear in the same time window. Near T-g, the PCS in the depolarized mode detects orientation fluctuations in the mixture that exhibit very broad distributions of relaxation times (beta(KWW) approximate to 0.2). The results are described in terms of the Kohlrausch-Williams-Watts (KWW) relaxation function and discussed in terms of the coupling scheme of relaxation. [References: 14] 14},
\r
13478 keywords = {Dynamic light-scattering. Poly(cyclohexyl methacrylate). Concentration
\r
13479 fluctuations. Relaxation spectroscopy. Dielectric-relaxation.
\r
13480 Temperature. Dependences. Density. System.
\r
13481 Applied physics/condensed matter.
\r
13482 Reprint available from: Rizos AK. RES CTR CRETE, POB 1527, GR-71409
\r
13483 IRAKLION, GREECE.},
\r
13487 @book{Robertson_book,
\r
13488 author = {Robertson, T. and Wright, F. T. and Dykstra, R. L.},
\r
13489 title = {Order Restricted Statistical Inference},
\r
13490 publisher = {Wiley},
\r
13491 address = {Chichester, New York},
\r
13495 @book{Rockafellar1970_book,
\r
13496 author = {Rockafellar, R.T.},
\r
13497 title = {Convex Analysis},
\r
13498 publisher = {Princeton University Press},
\r
13499 address = {Princeton},
\r
13503 @article{RU2000_JR,
\r
13504 author = {Rockafellar, R.T. and Uryasev, S.},
\r
13505 title = {Optimization of conditional value-at-risk},
\r
13506 journal = {Journal of Risk},
\r
13512 @article{RU2002_JBF,
\r
13513 author = {Rockafellar, R.T. and Uryasev, S.},
\r
13514 title = {Conditional value-at-risk for general loss distributions},
\r
13515 journal = {Journal of Banking and Finance},
\r
13517 pages = {1443-1471},
\r
13521 author = {Røgen, P. and Fain, B.},
\r
13522 title = {Automatic classification of protein structure by using Gauss integrals},
\r
13523 journal = {Proceedings of the National Academy of Science (USA)},
\r
13526 pages = {119-124},
\r
13527 abstract = {We introduce a method of looking at, analyzing, and comparing protein structures. The topology of a protein is captured by 30 numbers inspired by Vassiliev knot invariants. To illustrate the simplicity and power of this topological approach, we construct a measure (scaled Gauss metric, SGM) of similarity of protein shapes. Under this metric, protein chains naturally separate into fold clusters. We use SGM to construct an automatic classification procedure for the CATH2.4 database. The method is very fast because it requires neither alignment of the chains nor any chain-chain comparison. It also has only one adjustable parameter. We assign 95.51% of the chains into the proper C (class), A (architecture), T (topology), and H (homologous superfamily) fold, find all new folds, and detect no false geometric positives. Using the SGM, we display a "map" of the space of folds projected onto two dimensions, show the relative locations of the major structural classes, and "zoom into" the space of proteins to show architecture, topology, and fold clusters. The existence of a simple measure of a protein fold computed from the chain path will have a major impact on automatic fold classification.},
\r
13528 keywords = {journal
\r
13529 National Academy of Sciences (USA)
\r
13530 CATH protein database
\r
13531 scaled Gauss metric
\r
13532 structural genomics
\r
13537 author = {Rogers, J. W. and Donnelly, R. A.},
\r
13538 title = {Potential Transformation Methods for Large-Scale Global Optimization},
\r
13539 journal = {SIAM Journal on Optimization},
\r
13542 pages = {871-891},
\r
13543 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
13544 Reprint available from: Rogers JW AUBURN UNIV DEPT MATH AUBURN, AL 36849 USA AUBURN UNIV DEPT CHEM AUBURN, AL 36849 USA 0008},
\r
13545 abstract = {Several techniques for global optimization treat the objective function f as a force field potential. In the simplest case, trajectories of the differential equation mx = -del f sample regions of low potential while retaining the energy to surmount passes that might block the way to regions of even lower local minima. A potential transformation is an increasing function V:R --> R. It determines a new potential g = V(f) with the same minimizers as f, and new trajectories satisfying mx = -del g = -df/dV del f. We discuss a class of potential transformations that greatly increase the df attractiveness of low local minima and that provide, as a special case, a new approach to an equation proposed by Griewank for global optimization. Practical methods for implementing these ideas are discussed. [References: 36] 36},
\r
13546 keywords = {Generalized descent. Global optimization. Newtonian dynamics.
\r
13547 Potential transformation methods. Pt methods. Snifr.
\r
13548 Multiple-minima problem. Molecular-dynamics. Conformational space.
\r
13549 Energy surfaces. Minimization. Algorithm. Mechanics. Search.
\r
13551 Reprint available from: Rogers JW. AUBURN UNIV, DEPT MATH, AUBURN, AL
\r
13556 author = {Rojnuckarin, A. and Floudas, C. A. and Rabitz, H. and Yetter, R. A.},
\r
13557 title = {Optimal Control of a Plug Flow Reactor with a Complex Reaction Mechanism},
\r
13558 journal = {Journal of Physical Chemistry},
\r
13561 pages = {11689-11695},
\r
13562 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
13563 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT MECH and AEROSP ENGN PRINCETON, NJ 08544 USA 0023},
\r
13564 abstract = {Optimal control problems appear frequently in chemical reactor design. We study the application of a strategy belonging to the class known as gradient methods in function space to solve such problems by discretization of the function space and an iterative conjugate gradient algorithm. The algorithm is applied to a plug flow reactor model with various levels of reaction mechanism complexities. The examples, in which the properties of the algorithm are examined in detail, range from the control of the first-order reaction model of a hexane isomerization mechanism to the control of oscillation patterns and mechanistic re-routing in the oscillatory Belouzov-Zhabotinski reaction. The algorithm is successful in treating these highly nonlinear systems and hence provides a prospect of solving other complicated nonlinear optimal reactor control problems. [References: 19] 19},
\r
13565 keywords = {Belousov-zhabotinsky reaction. Chaos.
\r
13566 Physical chemistry/chemical physics.
\r
13567 Reprint available from: Floudas CA. PRINCETON UNIV, DEPT CHEM ENGN,
\r
13568 PRINCETON, NJ 08544, USA.},
\r
13572 author = {Rojnuckarin, A. and Floudas, C. A. and Rabitz, H. and Yetter, R. A.},
\r
13573 title = {Methane Conversion to Ethylene and Acetylene - Optimal Control with Chlorine, Oxygen, and Heat Flux},
\r
13574 journal = {Industrial and Engineering Chemistry Research},
\r
13577 pages = {683-696},
\r
13578 note = {Current Contents/Engineering, Technology and Applied Sciences.
\r
13579 Reprint available from: Rabitz H PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT MECH and AEROSP ENGN PRINCETON, NJ 08544 USA 0006},
\r
13580 abstract = {In this paper, an optimal control strategy is applied to the problem of finding the flux profiles for the conversion of methane to ethylene and acetylene in a plug flow reactor. A chlorine-catalyzed oxidative pyrolysis mechanism is used in the calculations, in which two mechanistic pathways to the C-2 products were examined. One involves CH3Cl and/or CH2Cl, and the other involves C2H6 and/or C2H5 as reaction intermediates. Optimal control designs were performed with respect to the final mass fractions of ethylene and acetylene in a plug flow reactor using heat, oxygen, and chlorine fluxes as controls. The simulation results show that for the temperatures (1200 K < T < 1900 K) and pressure (P = 1 atm) considered, C2H4 is formed initially, which is subsequently converted to C2H2. Because of the abundant supply of H-2 formed during the reaction, it is possible to reform C2H4 from C2H2 by controlled extraction of energy. The heat flux plays the most important role in determining the final concentration of the desired C-2 products by controlling the temperature and the rate of H-atom radical generation, and thus, the interconversion between C2H2 and C2H4 through the C2H3 radical. The solutions obtained, although not proven to be globally optimal, are of very high quality. More than 40% yield of the desired C-2 products, either ethylene or acetylene, can be obtained in all cases. [References: 32] 32},
\r
13581 keywords = {Reaction-mechanism. Homogeneous pyrolysis. Oxidative-pyrolysis. Ch3cl.
\r
13582 Optimization. C2h2.
\r
13583 Chemical engineering.
\r
13584 Reprint available from: Rabitz H. PRINCETON UNIV, DEPT CHEM ENGN,
\r
13585 PRINCETON, NJ 08544, USA.},
\r
13589 @inproceedings{Roubens-96,
\r
13590 author = {Roubens, M.},
\r
13591 title = {Interaction between criteria and definition of weights in {MCDA} problems},
\r
13592 booktitle = {44th Meeting of the European Working Group Multicriteria Aid for Decisions},
\r
13593 address = {Brussels, Belgium},
\r
13597 @book{Roubens1989_book,
\r
13598 author = {Roubens, M. and Vincke, P.},
\r
13599 title = { Preference Modeling},
\r
13600 publisher = {Springer},
\r
13601 address = {Berlin},
\r
13605 @article{Rousseeuw1984_JASA,
\r
13606 author = {Rousseeuw, P.J.},
\r
13607 title = {Least median of squares regression},
\r
13608 journal = {J. Amer. Statist. Assoc},
\r
13610 pages = {871-880},
\r
13614 @article{Rousseeuw1993_JASA,
\r
13615 author = {Rousseeuw, P.J. and Croux, C.},
\r
13616 title = {Alternatives to the Median Absolute Deviation},
\r
13617 journal = {J. Amer. Statist. Assoc},
\r
13619 pages = {1273-1283},
\r
13623 @book{Rousseeuw1987_book,
\r
13624 author = {Rousseeuw, P.J. and Leroy, A.M.},
\r
13625 title = {Robust Regression and Outlier Detection},
\r
13626 publisher = {Wiley},
\r
13627 address = {New York},
\r
13631 @article{Rousseeuw2006_DMKD,
\r
13632 author = {Rousseeuw, P.J. and Van Driessen, K.},
\r
13633 title = {Computing LTS Regression for Large Data Sets },
\r
13634 journal = {Data Mining and Knowledge Discovery},
\r
13640 author = {RoyChowdhury, Pinaki and Singh, Y. P. and Chansarkar, R. A.},
\r
13641 title = {Hybridization of Gradient Descent Algorithms with Dynamic Tunneling Methods for Global Optimization},
\r
13642 journal = {IEEE Transactions on Systems, Man, and Cybernetics--Part A: Systems and Humans},
\r
13646 abstract = {An algorithm based on gradient descent techniques with dynamic tunneling methods for global optimization is proposed. The proposed algorithm consists of gradient descent for local search and a direct search scheme, based on dynamic tunneling technique, for repelling away from local minimum to find the point of next local descent. This search process applied repeatedly finds the global minimum of an objective function. The convergence properties of the proposed algorithm is validated experimentally on benchmark problems. A comparative computational results confirm the importance of dynamic tunneling in gradient descent techniques.
\r
13647 Index Terms--Dynamic tunneling, global optimization, Lipschitz condition.},
\r
13651 author = {Rubinov, A.},
\r
13652 title = {An Equilibrium in Dynamic Models of a Linearly Homogeneous Economy},
\r
13653 journal = {Journal of Mathematical Economics},
\r
13656 pages = {179-200},
\r
13657 abstract = {An approach for determining an equilibrium in dynamic models of a linearly homogeneous economy is proposed; at every time the participants find an equilibrium of a certain static model with fixed budgets in the framework of this approach. The dynamic nature of the model is used in forming the budgets. The existence of equilibrium is proved by the convex analysis only. [References: 8] 8},
\r
13658 keywords = {Dynamic models of equilibrium. Equilibrium with fixed budgets. Linearly
\r
13659 homogeneous economy.
\r
13661 Reprint available from: Rubinov A. BEN GURION UNIV NEGEV, DEPT MATH and
\r
13662 COMP SCI, IL-84105 BEER SHEVA, ISRAEL.},
\r
13666 @article{Rubinov2001_Optimization,
\r
13667 author = {Rubinov, A. and Singer, I.},
\r
13668 title = {Topical and sub-topical functions, downward sets and abstract convexity},
\r
13669 journal = {Optimization},
\r
13671 pages = {301-357},
\r
13675 @article{Rubinov2008_MathProg,
\r
13676 author = {Rubinov, A. and Wu, Z. Y.},
\r
13677 title = {Optimality conditions in global optimization and their applications },
\r
13678 journal = {Mathematical Programming, B},
\r
13679 pages = {in press DOI 10.1007/s10107-007-0142-4},
\r
13683 @book{Rubinov2000_book,
\r
13684 author = {Rubinov, A.M.},
\r
13685 title = {Abstract Convexity and Global Optimization},
\r
13686 publisher = {Kluwer Academic Publishers},
\r
13687 address = {Dordrecht; Boston},
\r
13689 series = {Nonconvex optimization and its applications},
\r
13690 keywords = {Mathematical optimization.
\r
13691 Convex programming.},
\r
13695 @article{Rubinov1999_jgo,
\r
13696 author = {Rubinov, A. M. and Andramonov, M. Y.},
\r
13697 title = {Minimizing increasing star-shaped functions based on abstract convexity},
\r
13698 journal = {Journal of Global Optimization},
\r
13702 abstract = {We study a broad class of increasing non-convex functions whose level sets are star shaped with respect to infinity. We show that these functions (we call them ISSI functions) are abstract convex with respect to the set of min-type functions and exploit this fact for their minimization. An algorithm is proposed for solving global optimization problems with an ISSI objective function and its numerical performance is discussed. [References: 23] 23},
\r
13703 keywords = {Abstract convexity. Global optimization. Increasing function.
\r
13705 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
13708 Reprint available from: Rubinov A.M. Univ Ballarat, Sch Informat Technol and
\r
13709 Math Sci, Ballarat, Vic 3353, Australia.},
\r
13713 author = {Rubinov, A. M. and Glover, B. and Figures},
\r
13714 title = {Reformulation of a problem of economic equilibrium Fukishima M, Qi LQ},
\r
13715 journal = {Reformulation: Nonsmooth, Piecewise Smooth, Semismooth and Smoothing Methods},
\r
13716 volume = {22 PG. 335-354. 1999 [Figures]. REFORMULATION},
\r
13717 pages = {NONSMOOTH},
\r
13718 keywords = {Arrow-debreu equilibrium. Directional differentiability. Piecewise
\r
13719 smooth optimization.
\r
13721 Current Book Contents in Current Contents(R)/Engineering, Computing and
\r
13724 Reprint available from: Rubinov AM. Univ Ballarat, Sch Informat Technol and
\r
13725 Math Sci, Ballarat, Vic 3353, Australia.},
\r
13729 author = {Rubinov, A. M. and Glover, B. M.},
\r
13730 title = {Duality for Increasing Positively Homogeneous Functions and Normal Sets},
\r
13731 journal = {Rairo-Recherche Operationnelle-Operations Research},
\r
13734 pages = {105-123},
\r
13735 abstract = {A nonlinear duality operation is defined for the class of increasing positively homogeneous functions defined on the positive orthant (including zero). This class of function and the associated class of normal sets are used extensively in Mathematical Economics. Various examples are provided along with a discussion of duality for a class of optimization problems involving increasing functions and normal sets. (C) Elsevier Paris. [References: 15]},
\r
13736 keywords = {Increasing functions. Positively homogeneous functions. Duality.
\r
13737 Conjugacy operators. Normal sets. Mathematical economics.
\r
13738 Engineering mathematics.},
\r
13742 author = {Rubinov, A. M. and Glover, B. M.},
\r
13743 title = {Increasing convex-along-rays functions with applications to global optimization},
\r
13744 journal = {Journal of Optimization Theory and Applications},
\r
13747 pages = {615-642},
\r
13748 abstract = {Increasing convex-along-rays functions are defined within an abstract convexity framework. The basic properties of these functions including support sets and subdifferentials are outlined. Applications are provided to unconstrained global optimization using the concept of excess function. [References: 10] 10},
\r
13749 keywords = {Abstract convexity. Min-type functions. Convex-along-rays functions.
\r
13750 Subdifferentials. Global optimum. Excess function.
\r
13751 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
13755 J. Optim. Theory Appl},
\r
13759 @book{Rubinov2000_book1,
\r
13760 author = {Rubinov, A. M. and Glover, B. M.},
\r
13761 title = {Optimization and Related Topics},
\r
13762 publisher = {Kluwer Academic Publishers},
\r
13763 address = {Boston},
\r
13764 keywords = {Mathematical optimization.},
\r
13768 author = {Rubinov, A. M. and Glover, B. M. and Yang, X. Q.},
\r
13769 title = {Decreasing functions with applications to penalization},
\r
13770 journal = {SIAM Journal on Optimization},
\r
13773 pages = {289-313},
\r
13774 abstract = {The theory of increasing positively homogeneous functions defined on the positive orthant is applied to the class of decreasing functions. A multiplicative version of the inf-convolution operation is studied for decreasing functions. Modified penalty functions for some constrained optimization problems are introduced that are in general nonlinear with respect to the objective function of the original problem. As the perturbation function of a constrained optimization problem is decreasing, the theory of decreasing functions is subsequently applied to the study of modified penalty functions, the zero duality gap property, and the exact penalization. [References: 19] 19},
\r
13775 keywords = {Decreasing functions. Iph functions. Multiplicative inf-convolution.
\r
13776 Modified penalty functions. Exact penalization.
\r
13777 Constrained optimization. Convex.
\r
13778 Mathematics in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
13780 Reprint available from: Rubinov AM. Univ Ballarat, Sch Informat Technol and
\r
13781 Math Sci, Ballarat, Vic 3353, Australia.},
\r
13785 author = {Rubinov, A. M. and Singer, I.},
\r
13786 title = {Best approximation by normal and conormal sets},
\r
13787 journal = {Journal of Approximation Theory},
\r
13790 pages = {212-243},
\r
13791 abstract = {The aim of the present paper is to develop a theory of best approximation by elements of so-called normal sets and their complements-conormal sets in the non-negative orthant R-+(I) of a finite-dimensional coordinate space R-I endowed with the max-norm. A normal respectively. conormal) set arises as the set of all solutions of a system of inequalities f(alpha)(x) less than or equal to 0 (alpha is an element ofA). x is an element of R-+(I) (respectively. f(alpha)(x) greater than or equal to 0 (alpha is an element of A). x is an element of R-+(I)), where f(alpha) is an increasing function and A is an arbitrary set of. indices. We consider there sets as analogues tin a certain sense) of convex sets, and we use the so-called min-type functions as analogues of linear functions. We show that many results on best approximation by convex and reverse convex sets and corresponding separation theory (but not all of them) have analogues in the case under consideration. At the same time there are no convex analogues for many results related to best approximation by normal sets. (C) 2000 Academic Press. [References: 11] 11},
\r
13792 keywords = {Mathematics in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
13797 author = {Rubinov, A. M. and Uderzo, A.},
\r
13798 title = {On global optimality conditions via separation functions},
\r
13799 journal = {Journal of Optimization Theory and Applications},
\r
13802 pages = {345-370},
\r
13803 abstract = {The paper examines some axiomatic definitions of separation functions that can be employed fruitfully in the analysis of side-constrained extremum problems. A study of their general properties points out connections with abstract convex analysis and recent generalizations of Lagrangian approaches to duality and exact penalty methods. Many concrete examples are brought out. [References: 10] 10},
\r
13804 keywords = {Separation functions. Theorems of the alternative. Abstract convexity.
\r
13805 Duality. Side-constrained optimization. Image space analysis.
\r
13806 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
13812 author = {Rubinov, A. M. and Vladimirov, A. A.},
\r
13813 title = {Differences of convex compacta and metric spaces of convex compacta with applications: A survey},
\r
13814 booktitle = {Quasidifferentiability and Related Topics},
\r
13815 pages = {263-296},
\r
13816 keywords = {Differences of convex compact sets. ---difference. D-difference.
\r
13817 D-metric. Bp-metric. D-regular sets.
\r
13819 Current Book Contents in Current Contents(R)/Physical, Chemical and Earth
\r
13822 Reprint available from: Rubinov AM. Univ Ballarat, Sch Informat Technol and
\r
13823 Math Sci, Ballarat, Vic 3353, Australia.},
\r
13827 author = {Rubinov, A. M. and Zaslavski, A. J.},
\r
13828 title = {Existence and uniqueness of a solution for a minimization problem with a generic increasing function},
\r
13829 journal = {Journal of the Australian Mathematical Society Series A-Pure Mathematics and Statistics},
\r
13831 number = {Part 1},
\r
13832 pages = {85-103},
\r
13833 abstract = {In this paper we study the existence and uniqueness of a solution for minimization problems with generic increasing functions in an ordered Banach space X. The standard approaches are not suitable in such a setting. We propose a new type of perturbation adjusted for the problem under consideration, prove the existence and point out sufficient conditions providing the uniqueness of a solution. These results are proved by assuming that the space X enjoys the following property: each decreasing norm-bounded sequence has a limit. We supply a counterexample, which shows that this property is essential and give a modification of obtained results for the space C(T), which does not possess this property. [References: 9] 9},
\r
13834 keywords = {Increasing function. Optimization. Generic property. Ordered banach
\r
13836 Mathematics in Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
13838 Reprint available from: Rubinov AM. Univ Ballarat, Sch Informat Technol and
\r
13839 Math Sci, Ballarat, Vic 3353, Australia.},
\r
13843 author = {Rubinov, A. R. and Timkovsky, V. G.},
\r
13844 title = {Non-Similarity Combinatorial Problems},
\r
13845 journal = {Biosystems},
\r
13849 abstract = {Similarity problems intensively investigated in computational molecular biology have the following two stringology models: find the longest string included in any string of a given finite language, and find the shortest string including every string of a given finite language. These two problems are exemplified by the two well-known pairs of problems, the longest common subsequence (or substring) problem and the shortest common supersequence (or superstring) problem. interpretations. In this paper we consider opposite problems connected with string non-inclusion relations: find the shortest string included in no string of a given finite language and find the longest string including no string of a given finite language. The predicate ''string alpha is not included in string beta'' is interpreted either as ''alpha is not a subsequence of beta'' or as ''alpha is not a substring of beta''. The main purpose is to determine the complexity status of the non-similarity problems. Using graph approaches, we present NP-hardness proofs for the first interpretation and polynomial-time algorithms for the second one. Special cases of the problems, and related issues are discussed. [References: 16] 16},
\r
13850 keywords = {Molecular biology and genetics.
\r
13851 Reprint available from: Rubinov AR. NATL TRANSPORT INST, DEPT TRANSPORTAT
\r
13852 CONTROL, 10 TRETYA MYTISHCHINSKAYA ST, MOSCOW 129851.},
\r
13856 @book{Rudin191_book,
\r
13857 author = {Rudin, W.},
\r
13858 title = {Functional Analysis},
\r
13859 publisher = {McGraw-Hill},
\r
13860 address = {New York},
\r
13864 author = {Runkler, T. A. and Bezdek, J. C.},
\r
13865 title = {Function approximation with polynomial membership functions and alternating cluster estimation},
\r
13866 journal = {Fuzzy Sets and Systems},
\r
13869 pages = {207-218},
\r
13870 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
13871 Reprint available from: Runkler TA Siemens AG, Corp Technol D-81730 Munich Germany Siemens AG, Corp Technol D-81730 Munich Germany Univ W Florida, Dept Comp Sci Pensacola, FL 32514 USA 0002 Fuzzy Sets Syst},
\r
13872 abstract = {Nonlinear functions are often approximated using local linear models. Sets of local linear models can be represented as a first-order Takagi Sugeno (TS) system. Triangular and trapezoidal left-hand side membership functions are not compatible with TS systems because they lead to non-differentiable input-output characteristics. We develop a method to determine parameters of piecewise quadratic membership functions to obtain characteristics which exactly match the rule centers and the corresponding slopes. The right-hand side parameters are obtained using (i) fuzzy c-elliptotypes alternating optimization and (ii) alternating cluster estimation. In our experiments the smoothest and most accurate approximations are obtained with piecewise quadratic membership functions and alternating cluster estimation. (C) 1999 Elsevier Science B.V. All rights reserved. [References: 12] 12},
\r
13873 keywords = {Function approximation. Membership function extraction. Takagi-sugeno
\r
13874 model. Clustering. Elliptotypes. Alternating cluster estimation.
\r
13875 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
13878 Reprint available from: Runkler TA. Siemens AG, Corp Technol, D-81730
\r
13879 Munich, Germany, .},
\r
13883 author = {Rusiecki, Andrzej and Rutkowski, Leszek and Tadeusiewicz, Ryszard and Zadeh, Lotfi and Zurada, Jacek},
\r
13884 title = {Robust MCD-Based Backpropagation Learning Algorithm
\r
13885 Artificial Intelligence and Soft Computing – ICAISC 2008},
\r
13886 series = {Lecture Notes in Computer Science},
\r
13887 publisher = {Springer Berlin / Heidelberg},
\r
13889 pages = {154-163},
\r
13893 author = {Rusiecki, Andrzej and Sandoval, Francisco and Prieto, Alberto and Cabestany, Joan and Graña, Manuel},
\r
13894 title = {Robust LTS Backpropagation Learning Algorithm
\r
13895 Computational and Ambient Intelligence},
\r
13896 series = {Lecture Notes in Computer Science},
\r
13897 publisher = {Springer Berlin / Heidelberg},
\r
13899 pages = {102-109},
\r
13903 author = {Ryckaert, J.-P.},
\r
13904 title = {Special geometrical constraints in the molecular dynamics of chain molecules},
\r
13905 journal = {Mol. Phys.},
\r
13908 pages = {549-556},
\r
13909 keywords = {constrained dynamics; holonomic constraints},
\r
13913 author = {Ryckaert, J.P. and Ciccotti, G. and Berendsen, H.J.C.},
\r
13914 title = {Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes},
\r
13915 journal = {J. Comput. Phys.},
\r
13917 pages = {327-341},
\r
13918 keywords = {MD; Shake algorithm; holonomic constraints; Verlet algorithm},
\r
13922 author = {Ryckaert, J.-P. and Bellemans, A.},
\r
13923 title = {Molecular dynamics of liquid alkanes},
\r
13924 journal = {Discuss. Faraday Soc.},
\r
13930 @book{Saaty1980_book,
\r
13931 author = {Saaty, T.L.},
\r
13932 title = {The Analytic Hierarchy Process},
\r
13933 publisher = {McGraw-Hill},
\r
13934 address = { New York},
\r
13938 @article{Saekeang1979,
\r
13939 author = {Saekeang, C. and Chu, P.L.},
\r
13940 title = {Nondestructive determination of refractive index profile of an optical fiber: backward light scattering method},
\r
13941 journal = {Applied Optics},
\r
13943 pages = {1110-1116},
\r
13947 author = {Sahinidis, N. V. and Tawarmalani, M.},
\r
13948 title = {Applications of global optimization to process and molecular design},
\r
13949 journal = {Computers and Chemical Engineering},
\r
13952 pages = {2157-2169},
\r
13953 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
13954 Reprint available from: Sahinidis NV Univ Illinois, Dept Chem Engn 600 S Mathews Ave Urbana, IL 61801 USA Univ Illinois, Dept Chem Engn Urbana, IL 61801 USA Univ Illinois, Dept Mech and Ind Engn Urbana, IL 61801 USA 0010 Comput. Chem. Eng},
\r
13955 abstract = {The purpose of this paper is to review some recent results that demonstrate the importance of identifying global optima of MINLP formulations. We present two global optimization 'success stories' based on the application of global optimization techniques to two design problems. The first application deals with the design of just-in-time flowshops. On a collection of nine problem instances with only four degrees of freedom, global optimization provides solutions that average 17% cost savings compared to designs identified earlier in the literature using local search techniques. The second application deals with design at the molecular level and involves a considerably larger design space for identifying a replacement of Freon. The problem is difficult and has been approached by numerous research groups in the past. Global optimization identifies many novel molecular structures. (C) 2000 Elsevier Science Ltd. All rights reserved. [References: 37] 37},
\r
13956 keywords = {Global optimization. Branch and bound. Range contraction. Finiteness.
\r
13957 Convex enclosers.
\r
13958 Property prediction uncertainty. Polymer design. Solvents.
\r
13959 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
13962 Reprint available from: Sahinidis NV. Univ Illinois, Dept Chem Engn, 600
\r
13963 S Mathews Ave, Urbana, IL 61801, USA.},
\r
13967 @article{Salibian2008,
\r
13968 author = {Salibian-Barrera, M. and Willems, G. and Zamar, R.},
\r
13969 title = {The Fast-t Estimator for Regression},
\r
13970 journal = {Journal of Computational and Graphical Statistics},
\r
13973 pages = {659-682},
\r
13974 abstract = {Yohai and Zamar's t-estimators of regression have excellent statistical properties but are nevertheless rarely used in practice because of a lack of available software and the general impression that t-estimators are difficult to approximate. We will show, however, that the computational difficulties of approximating t-estimators are similar in nature to those of the more popular S-estimators. The main goal of this article is to compare an approximating algorithm for t-estimators based on random resampling with some alternative heuristic search algorithms. We show that the former is not only simpler, but that when enhanced by local improvement steps it generally outperforms the consider edheuristic search algorithms, even when the seheuristic algorithms also incorporate local improvement steps. Additionally, we show that the random resampling algorithm for approximating t-estimators has favorable statistical properties compared to the analogous and widely used algorithms for S- and least trimmed squares estimators.},
\r
13978 @article{Salibian2006,
\r
13979 author = {Salibian-Barrera, M. and Yohai, V.J.},
\r
13980 title = {A fast algorithm for S-regression estimates},
\r
13981 journal = {Journal of Computational and Graphical Statistics},
\r
13983 pages = {414-427},
\r
13987 @article{Yohai2008_AS,
\r
13988 author = {Salibian-Barrera, M. and Yohai, V.J.},
\r
13989 title = {High breakdown point robust regression with censored data},
\r
13990 journal = {Annals of Statistics},
\r
13992 pages = {118-146},
\r
13996 @inproceedings{Saminger2004_IPMU,
\r
13997 author = {Saminger, S.},
\r
13998 title = {Aggregation of bi-capacities},
\r
13999 booktitle = {10th Int. Conf. on Information Processing and Management of Uncertainty },
\r
14000 address = {Perugia, Italy},
\r
14001 pages = {335--342},
\r
14005 @article{Saminger2003_Kyb,
\r
14006 author = {Saminger, S. and Mesiar, R.},
\r
14007 title = {A general approach to decomposable bi-capacities},
\r
14008 journal = {Kybernetika},
\r
14010 pages = {631-642},
\r
14014 @article{Saminger2007_TFS,
\r
14015 author = {Saminger-Platz, S. and Mesiar, R. and Dubois, D.},
\r
14016 title = {Aggregation Operators and Commuting},
\r
14017 journal = {IEEE Trans. on Fuzzy Systems},
\r
14019 pages = {1032-1045},
\r
14023 @article{Santo2008_IEEE,
\r
14024 author = {Santo, B. and Adee, A. },
\r
14025 title = {Multicore Made Simple},
\r
14026 journal = {IEEE Spectrum },
\r
14032 @article{Sapidis1988_CAGD,
\r
14033 author = {Sapidis, N. S. and Kaklis, P. D.},
\r
14034 title = {An algorithm for constructing convexity and monotonicity preserving splines in tension },
\r
14035 journal = {Comp. Aided Geom. Des.},
\r
14037 pages = {127-137},
\r
14042 author = {Sapidis, N.S. and Kaklis, P.D.},
\r
14043 title = {An algorithm for constructing convexity and monotonicity preserving splines in tension},
\r
14044 journal = {Comp.Aided Geom. Design},
\r
14046 pages = {127-137},
\r
14050 @article{SapKak1988,
\r
14051 author = {Sapidis, N. S. and Kaklis, P. D.},
\r
14052 title = {An algorithm for constructing convexity and monotonicity-preserving splines in tension},
\r
14053 journal = {Computer Aided Geometric Design},
\r
14055 pages = {127-137},
\r
14056 keywords = {Exponential spline in tension
\r
14057 convexity-admissible data sets
\r
14058 convexity- (monotonicity-) preserving interpolants},
\r
14062 @article{SapKakLouk1988,
\r
14063 author = {Sapidis, N. S. and Kaklis, P. D. and Loukakis, T. A.},
\r
14064 title = {A method for computing the tension parameters in convexity-preserving spline-in-tension interpolation},
\r
14065 journal = {Numer. Math.},
\r
14067 pages = {179-192},
\r
14071 @inproceedings{Satish2009,
\r
14072 author = {Satish, N. and Harris, M. and Garland, M.},
\r
14073 title = {Designing Efficient Sorting Algorithms for Manycore GPUs},
\r
14074 booktitle = {IEEE International Parallel and Distributed Processing Symposium},
\r
14075 address = {Rome},
\r
14076 pages = {DOI: 10.1109/IPDPS.2009.5161005 },
\r
14080 @incollection{Sauer1994,
\r
14081 author = {Sauer, T.},
\r
14082 title = {Time series prediction by using delay coordinate embedding},
\r
14083 booktitle = {Time Series Prediciton},
\r
14084 editor = {Weigend, A.S. and Gershenfeld, N.A.},
\r
14085 publisher = {Addison-Wesley},
\r
14086 address = {Reading, MA},
\r
14087 pages = {175-193},
\r
14091 @inproceedings{Saukas_conf,
\r
14092 author = {Saukas, E.L. and Song, S.W.},
\r
14093 title = {Efficient selection algorithms on distributed memory computers},
\r
14094 booktitle = {ACM/IEEE Conference on Supercomputing },
\r
14095 address = {San Jose, CA},
\r
14096 publisher = {IEEE},
\r
14101 author = {Saupe, D. and Hamzaoui, R. and Hartenstein, H.},
\r
14102 title = {Fractal image compression: an introductory overview},
\r
14103 booktitle = {Fractal Models for Image Synthesis, Encoding, and Analysis, SIGGRAPH '96
\r
14104 Course Notes XX},
\r
14105 editor = {Saupe, D. and Hart, J.},
\r
14106 address = {New Orleans},
\r
14110 author = {Schaefer, Marvin},
\r
14111 title = {A mathematical theory of global program optimization},
\r
14112 publisher = {Prentice-Hall},
\r
14113 address = {Englewood Cliffs, N.J.,},
\r
14115 Prentice-Hall series in automatic computation.
\r
14116 Bibliography: p. 190-194.},
\r
14117 keywords = {Compiling (Electronic computers)
\r
14118 Mathematical optimization.},
\r
14122 @incollection{Scheraga1992_rev,
\r
14123 author = {Scheraga, H.A.},
\r
14124 title = {Predicting three-dimensional structure of oligopeptides},
\r
14125 booktitle = {Reviews in Computational Chemistry},
\r
14126 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
14127 publisher = {VCH Publishers},
\r
14128 address = {New York},
\r
14130 pages = {73-142},
\r
14131 note = {ISBN 3-527-27845-1},
\r
14132 keywords = {standard review
\r
14133 computational chemistry
\r
14134 geometry optimization
\r
14135 molecular mechanics (MM)
\r
14136 molecular structure
\r
14137 molecular modelling
\r
14144 author = {Scheraga, H. A.},
\r
14145 title = {The Multiple Minima Problem in Protein Folding},
\r
14146 journal = {Polish Journal of Chemistry},
\r
14149 pages = {889-891},
\r
14150 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
14151 Reprint available from: Scheraga HA CORNELL UNIV BAKER LAB CHEM ITHACA, NY 14853 USA 0003},
\r
14152 abstract = {In order to calculate the most stable conformation of a polypeptide or protein, it is necessary to generate the chain in an arbitrary conformation, calculate its energy, and minimize the energy. These procedures present no insurmountable problems. However, the minimization algorithm leads only to the nearest local minimum. Since the multi-dimensional energy surface contains many minima (the multiple-minima problem), it is necessary to surmount this difficulty in order to be able to compute a protein structure. Several procedures have been developed to solve this problem, and some of these are summarized here. [References: 40] 40},
\r
14153 keywords = {Peptides. Peptide conformation computing.
\r
14154 Diffusion equation method. Monte-carlo method. Statistical-mechanical
\r
14155 procedure. Coiled-coil conformation. Interchain interactions. Native
\r
14156 conformation. Pattern-recognition. Collagen models. Relaxing
\r
14157 dimensionality. Global optimization.
\r
14159 Reprint available from: Scheraga HA. CORNELL UNIV, BAKER LAB CHEM,
\r
14160 ITHACA, NY 14853, USA.},
\r
14165 author = {Scheraga, H.A. and Ripoll, D.R. and Liwo, A. and Czaplewski, C.},
\r
14166 title = {ECEPPAK (ECEPP Package for Conformational Analysis of Polypeptides) and ANALYZE Programs},
\r
14167 publisher = {Cornell University},
\r
14168 abstract = {The ECEPPAK program for the conformational search of polypeptides is based on the ECEPP/3 force field. The functions of the program include energy calculation and minimization and global conformational search using the Electrostatically Driven Monte Carlo (EDMC) method. The search can be constrained using experimental information e.g., the distance constraints from NMR measurements. The program has been extensively parallelized, which allows the user to carry out the conformational search even of comparatively large
\r
14169 polypeptides in real time. The companion program, ANALYZE, allows the user to classify the conformations by means of cluster analysis and fit the statistical weights of the conformations to best fit the experimental observables.},
\r
14170 keywords = {empirical conformational energy program for peptides and proteins (ECEPP)
\r
14171 electrostatically driven Monte Carlo (EDMC) method
\r
14172 ECEPP/3 force field
\r
14173 geometry optimization
\r
14174 molecular mechanics (MM)
\r
14175 molecular modelling
\r
14176 molecular structure},
\r
14180 @book{Schittkowski2003_book,
\r
14181 author = {Schittkowski, K.},
\r
14182 title = {Numerical Data Fitting in Dynamical Systems : a Practical Introduction with Applications and Software },
\r
14183 publisher = {Kluwer Academic Publishers},
\r
14184 address = {Dordrecht ; Boston},
\r
14188 author = {Schleyer, P.v.R.},
\r
14189 title = {Encyclopedia of Computational Chemistry},
\r
14190 publisher = {John Wiley and Sons},
\r
14191 abstract = {In its short (30 year) history, computational chemistry has become one of the mainstays of modern industrial and academic chemistry. Computer methods are used to solve chemical problems that would be intractable or even impossible via experimental methods. Today, computer chemistry is acknowledged to be a major subdivision of chemistry, e.g. in drug design, molecular models can be simulated to predict which are the active compounds and how they will "fit" the receptors in the brain in order to make them effective. The Encyclopedia of Computational Chemistry (ECC) has been conceived to provide an appropriate, comprehensive reference work to describe the many aspects of this young discipline. Designed to fill the gap between one-volume textbooks and multi-volume series published over many years, this will be the most modern, complete and authoritative reference work on the subject. The rapid emergence of computational chemistry as a new discipline with applications throughout chemistry means that the Encyclopedia will fill an important role in providing information for teachers and students as well as for active researchers.},
\r
14192 keywords = {computational chemistry
\r
14193 quantum chemistry
\r
14194 molecular modelling},
\r
14198 author = {Schlick, T.},
\r
14199 title = {Optimization methods in computational chemistry},
\r
14200 booktitle = {Reviews in Computational Chemistry},
\r
14201 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
14202 publisher = {VCH Publishers},
\r
14203 address = {New York},
\r
14206 note = {ISBN 3-527-27845-1},
\r
14207 keywords = {standard review
\r
14208 computational chemistry
\r
14209 geometry optimization
\r
14210 molecular mechanics (MM)
\r
14211 molecular structure
\r
14212 molecular modelling},
\r
14216 author = {Schlick, T.},
\r
14217 title = {Molecular Modeling and Simulation: An Interdisciplinary Guide},
\r
14218 publisher = {Springer},
\r
14219 address = {New York},
\r
14223 @article{Schmeidler-86,
\r
14224 author = {Schmeidler, D.},
\r
14225 title = {Integral representation without additivity},
\r
14226 journal = {Proc. of the Amer. Math. Soc.},
\r
14228 pages = {255-261},
\r
14232 author = {Schoen, F.},
\r
14233 title = {Global Optimization in Action - Continuous and Lipschitz Optimization - Algorithms, Implementations and Applications - Pinter,Jd},
\r
14234 journal = {Journal of the Operational Research Society},
\r
14237 pages = {449-450},
\r
14238 note = {Current Contents/Engineering, Technology and Applied Sciences Current Contents/Social and Behavioral Sciences
\r
14239 Reprint available from: Schoen F UNIV FLORENCE FLORENCE ITALY},
\r
14240 keywords = {Engineering management/general. Management.},
\r
14244 @article{Schoenberg1964,
\r
14245 author = {Schoenberg, I. J.},
\r
14246 title = {Spline Functions and the Problem of Graduation},
\r
14247 journal = {Proceedings of the National Academy of Sciences of the United States of America},
\r
14250 pages = {947-950},
\r
14254 author = {Schulte, C.M.},
\r
14255 title = {Genetic algorithms for prototype-based clustering},
\r
14256 booktitle = {EUFIT'94},
\r
14257 address = {Aachen, Germany},
\r
14258 pages = {913-921},
\r
14262 @book{Schumaker1981_book,
\r
14263 author = {Schumaker, L. L.},
\r
14264 title = {Spline {F}unctions: Basic {T}heory},
\r
14265 publisher = {Wiley},
\r
14266 address = {New York},
\r
14270 @article{Schumaker1983,
\r
14271 author = {Schumaker, L. L.},
\r
14272 title = {On Shape Preserving Quadratic Spline Interpolation},
\r
14273 journal = {SIAM Journal on Numerical Analysis},
\r
14275 pages = {854-864},
\r
14276 abstract = {In this paper we discuss the design of algorithms for interpolating discrete data using C1-quadratic splines in such a way that the monotonicity and/or convexity of the data is preserved. The analysis culminates in an interactive algorithm which takes full advantage of the flexibility which quadratic splines permit.},
\r
14280 author = {Schweiger, C. A. and Floudas, C. A.},
\r
14281 title = {Optimization framework for the synthesis of chemical reactor networks},
\r
14282 journal = {Industrial and Engineering Chemistry Research},
\r
14285 pages = {744-766},
\r
14286 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
14287 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0019 Ind. Eng. Chem. Res},
\r
14288 abstract = {The reactor network synthesis problem involves determining the type, size, and interconnections of the reactor units, optimal concentration and temperature profiles, and the heat load requirements of the process. A general framework is presented for the synthesis of optimal chemical reactor networks via an optimization approach. The possible design alternatives are represented via a process superstructure which includes continuous stirred-tank reactors and cross-flow reactors along with mixers and splitters that connect the units. The superstructure is mathematically modeled using differential and algebraic constraints, and the resulting problem is formulated as an optimal control problem. The solution methodology for addressing the optimal control formulation involves the application of a control parametrization approach where the selected control variables are discretized in terms of time-invariant parameters. The dynamic system is decoupled from the optimization and solved as a function of the time-invariant parameters. The algorithmic framework is implemented in the optimization package MINOPT, which is used as a tool for solving the reactor network synthesis problem. The proposed approach is applicable to general problem formulations, and its utility is illustrated through the application to numerous examples including both constant and variable density problems, isothermal and nonisothermal operation, and complex reaction mechanisms with the kinetic and thermodynamic data provided by Chemkin. [References: 50] 50},
\r
14289 keywords = {Attainable region. Path constraints. Systems. Strategies. Operation.
\r
14291 Chemical Engineering in Current Contents(R)/Engineering, Computing and
\r
14294 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
14295 Princeton, NJ 08544, USA, .},
\r
14300 author = {Schweikert, D. G.},
\r
14301 title = {An interpolation curve using a spline in tension},
\r
14302 journal = {J. Math. Phys. },
\r
14304 pages = {312-317},
\r
14308 @article{Schweikert1966,
\r
14309 author = {Schweikert, D. G.},
\r
14310 title = {An interpolation curve using a spline in tension},
\r
14311 journal = {J. Math. Phys.},
\r
14313 pages = {312-317},
\r
14317 @article{Schweizer1961_debrecen,
\r
14318 author = {Schweizer, B. and Sklar, A.},
\r
14319 title = {Associative functions and statistical triangle inequalities},
\r
14320 journal = {Publ. Math. Debrecen},
\r
14322 pages = {169-186},
\r
14326 @book{Schweizer1983_book,
\r
14327 author = {Schweizer, B. and Sklar, A.},
\r
14328 title = {Probabilistic metric spaces},
\r
14329 publisher = {North-Holland},
\r
14330 address = {New York},
\r
14334 @article{Schyns2010_CSDA,
\r
14335 author = {Schyns, M. and Haesbroeck, G. and Critchley, F.},
\r
14336 title = {RelaxMCD: Smooth optimisation for the Minimum Covariance Determinant estimator},
\r
14337 journal = {Comput. Stat. Data Anal.},
\r
14340 pages = {843-857},
\r
14341 note = {1698643},
\r
14345 @book{Scott1992_book,
\r
14346 author = {Scott, D.W.},
\r
14347 title = {Multivariate Density Estimation},
\r
14348 publisher = {John Wiley & Sons},
\r
14349 address = {New York},
\r
14353 @article{Scott1998_FSS,
\r
14354 author = {Scott, M.J. and Antonsson, E.K.},
\r
14355 title = {Aggregation functions for engineering design trade-offs},
\r
14356 journal = {Fuzzy Sets and Systems},
\r
14358 pages = {253-264},
\r
14363 author = {Sedgewick, R.},
\r
14364 title = {Algorithms},
\r
14365 publisher = {Addison-Wesley},
\r
14366 address = {Reading, MA},
\r
14371 author = {Sedgwick, K. J. and Pfeffer, F. M. and Lim, K.F.},
\r
14372 title = {Indole-based frameworks for the recognition of anions},
\r
14373 booktitle = {22nd Royal Australian Chemical Institute Organic Conference and the 6th RACI Conference on Physical Chemistry},
\r
14374 address = {Adelaide, South Australia},
\r
14375 abstract = {The design and synthesis of molecules and supramolecules that can bind, identify and signal the presence of anions is of current interest in organic, analytical and environmental chemistry. We have previously designed and synthesized a new family of [3]polynorbornane frameworks exhibiting conformationally preorganized (cleft-like) aromatic thiourea receptors for anion recognition. These show excellent affinity for the biologically relevant dihydrogen phosphate (H2PO4-) and dihydrogen pyrophosphate (H2P2O72-) anions. Hydrogen bonding between the anion and the receptor results in changes in the 1H-NMR spectrum of the receptor and thus the extent of interaction between the two species can be monitored. This paper describes the design and synthesis of a new family of receptors, using indole, amide and thiourea moieties, linked by bridges of different lengths. Whilst examples exist where the pyrrole N-H is used for anion recogition, these are the first examples of synthetic molecules designed to employ the indole N-H for anion recognition. },
\r
14376 keywords = {Royal Australian Chemical Institute (RACI)
\r
14377 geometry optimization
\r
14378 molecular modelling
\r
14379 molecular structure},
\r
14383 author = {Selim, S. Z. and Al-Sultan, K.S.},
\r
14384 title = {A simulated annealing algorithm for the clustering problem},
\r
14385 journal = {Pattern Recognition},
\r
14387 pages = {1003-1008},
\r
14392 author = {Sen, A.},
\r
14393 title = {Choice, Welfare and Measurement},
\r
14394 publisher = {Harward University Press},
\r
14395 address = {Cambridge, Massachusetts},
\r
14399 @incollection{Sergeyev2003_inbook,
\r
14400 author = {Sergeyev, Y. D.},
\r
14401 title = {Finding the minimal root of an equation: applications and algorithms based on Lipschitz condition},
\r
14402 booktitle = {Global Optimization - Selected Case Studies},
\r
14403 editor = {Pintér, J.},
\r
14404 publisher = {Kluwer Academic Publishers},
\r
14405 pages = {in press},
\r
14409 @article{Sethi1981,
\r
14410 author = {Sethi, I.K.},
\r
14411 title = {A Fast Algorithm for Recognizing Nearest Neighbors,},
\r
14412 journal = {IEEE Trans. Syst. Man, and Cyber.},
\r
14414 pages = { 245-249},
\r
14418 author = {Sexton, R. and Dorsey, R. and Johnson, J.},
\r
14419 title = {Toward global optimization of neural networks: A comparison of the genetic algorithm and backpropagation},
\r
14420 journal = {Decision Support Systems},
\r
14423 pages = {171-185},
\r
14427 author = {Sexton, R. and Dorsey, R. and Johnson, J.},
\r
14428 title = {Optimization of neural networks: A comparative analysis of the genetic algorithm and simulated annealing},
\r
14429 journal = {European Journal of Operational Research},
\r
14432 pages = {589-601},
\r
14436 author = {Sexton, Randall S. and Dorsey, Robert E. and Johnson, John D.},
\r
14437 title = {Beyond Backpropagation: Using Simulated Annealing for Training Neural Networks},
\r
14438 journal = {Journal of End User Computing},
\r
14442 note = {Text available},
\r
14443 keywords = {Algorithm
\r
14444 Technology overview},
\r
14449 author = {Shafer, G. },
\r
14450 title = {A Mathematical Theory of Evidence},
\r
14451 publisher = {Princeton University press},
\r
14452 address = {Princeton},
\r
14456 @book{knnbook2006,
\r
14457 author = {Shakhnarovich, G. and Darrell, T. and Indyk, P.},
\r
14458 title = {Nearest-neighbor methods in learning and vision : theory and practice },
\r
14459 publisher = {MIT Press},
\r
14460 address = {Cambridge, MA},
\r
14464 author = {Sham, S. and Calzolai, L. and Wang, P.L. and Bren, K. and Haarklau, H. and Brereton, P.S. and Adams, M.W.W. and La Mar, G.N.},
\r
14465 title = {A solution NMR molecular model for the aspartate-ligated, cubane cluster containing ferredoxin from the hyperthermophilic archeaon Pyrococcus furiosus},
\r
14466 journal = {Biochemistry},
\r
14469 pages = {12498-12508},
\r
14470 abstract = {A solution molecular model for the conformationally dynamically heterogeneous Pyrococcus furiosus ferredoxin with an intact disulfide bond has been constructed on the basis of reported H-1 NMR spectral parameters using distance geometry and simulated annealing protocols. Conventional long-mixing time NOESY and H-bonding constraints have been augmented by previously reported short-mixing time NOESY, steady-state NOE, and cluster paramagnetism-induced relaxation. The family of 15 structures with inconsequential violations exhibited low rms deviations for backbone atoms for the overwhelming majority of the residues, including the cluster ligating loop with the unprecedented ligated Asp14. Larger rms deviations were observed across the disulfide bond, but closer inspection revealed that the 15 structures can be factored into 10 substructures exhibiting an "S" or right-handed disulfide orientation and 5 exhibiting an "R" or left-handed disulfide orientation. The remainder of the structure is indistinguishable for the two disulfide orientations but confirms stabilizing extensions of secondary structural elements in the lengthening of the long helix and both the lengthening and incorporation of a third strand into the beta-sheet involving the termini, with these extensions interacting strongly in a modular fashion through the rings of Tyr46 and Trp2. These extensions of stabilizing interactions in Pyrococcus furiosus Fd, however, lead to strong destabilization of the disulfide bond and destabilization of the highly conserved first and last beta-turns in the sequence. It is concluded that the structural alternations in Pyrococcus Fd relative to other hyperthermostable Fds are not to increase thermostability but to place "stress" on the disulfide bond and render it more reducible. The possible physiological implications of this unique reducible disulfide bond are discussed.},
\r
14471 keywords = {iron-sulfur proteins
\r
14472 archaeon thermococcus-litoralis
\r
14474 secondary structure
\r
14475 4-iron ferredoxin
\r
14476 crystal-structure
\r
14477 Thermotoga-maritima
\r
14478 nuclear magnetic resonance (NMR)
\r
14479 H-1-nmr spectroscopy
\r
14480 Desulfovibrio-gigas
\r
14481 electron transfer
\r
14482 nuclear Overhauser effect (NOE)
\r
14487 author = {Shang, Y. and Wah, B.W.},
\r
14488 title = {Global Optimization for Neural Network Training},
\r
14489 journal = {IEEE Computer},
\r
14495 @article{Shepetukha2001_MCM,
\r
14496 author = {Shepetukha, Y. and Olson, D.L.},
\r
14497 title = {Comparative Analysis of Multiattribute Techniques Based on Cardinal and Ordinal Inputs},
\r
14498 journal = {Mathematical and Computer Modelling},
\r
14500 pages = {229-241},
\r
14504 author = {Shi, Q. Z. and Hagiwara, I. and Takashima, F.},
\r
14505 title = {Global optimization method to locate multiple local optima with response surface approximation methodology},
\r
14506 journal = {JSME International Journal Series A-Solid Mechanics and Material Engineering},
\r
14509 pages = {175-184},
\r
14510 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
14511 Reprint available from: Shi QZ Tokyo Inst Technol, Fac Engn, Meguro Ku 2-12-1 Ookayama Tokyo 1528552 Japan Tokyo Inst Technol, Fac Engn, Meguro Ku Tokyo 1528552 Japan Tokyo Inst Technol, Grad Sch, Meguro Ku Tokyo 1528552 Japan 0024 JSME Int. J. Ser. A-Solid Mech. Mat. Eng},
\r
14512 abstract = {A considerable number of functional evaluations may be required in the process of optimization. Although approximation models constructed by response surface methodology can significantly reduce functional evaluations, the design accuracy may be strongly dependent on the type of activation functions and designs used. In this paper, we propose techniques to search the design space containing the global optimal design using designs by conditioned random seeds, and techniques for determining more accurate approximations by employing a sequential approach called the most probable optimal design (MPOD) method. The MPOD method is a response surface methodology based on the holographic neural network, which uses the exponential function as an activation function. In the MPOD method, extrapolation is employed to make the technique available for general application in structural optimization. The formula to estimate the necessary functional evaluations under certain conditions is expressed. Application examples show that the MPOD method is an effective methodology, which is expected to determine the optimal design with multiple local optima. [References: 16] 16},
\r
14513 keywords = {Nonlinear problem. Neural network. Finite-element method. Numerical
\r
14514 analysis. Buckling. Optimal design. Response surface methodology.
\r
14515 Extrapolation technique. Global optimal design.
\r
14516 Mechanical Engineering in Current Contents(R)/Engineering, Computing and
\r
14522 author = {Shimojima, K. and Fukuda, T. and Arai, F.},
\r
14523 title = {Self-tuning fuzzy inference based on spline function},
\r
14524 booktitle = {3rd Int. Conference on Fuzzy Systems},
\r
14525 publisher = {IEEE},
\r
14527 pages = {690-695},
\r
14531 author = {Shiyou, Yang and Guangzheng, Ni and Yan, Li and Baoxia, Tian and Ronglin, Li},
\r
14532 title = {An universal tabu search algorithm for global optimization of multimodal functions with continuous variables in electromagnetics},
\r
14533 journal = {IEEE Transactions on Magnetics},
\r
14536 pages = {p2901(4)},
\r
14537 abstract = {An universal tabu search algorithm for the optimization of functions with continuous variables is presented based on the tabu method so far used. Essentially, the improvements include the transition criterion for different states, the determination of the step vector, the cancellation of tabu list, the stop criteria, and the restart from the optimum etc.. The numerical performances of the present algorithm are investigated using a benchmark problem and the geometry optimization of the multisection arc pole shoe in large salient pole synchronous generators.
\r
14538 Index terms - Inverse problem, Global optimization, Stochastic algorithm, SA algorithm, Tabu search technique.},
\r
14539 keywords = {Algorithms Usage
\r
14540 Synchronous electric motors Research
\r
14541 Electric generators Research
\r
14542 Electromagnetism Research
\r
14543 Magneto-electric machines Research},
\r
14551 @article{Shubert1972_SIAM,
\r
14552 author = {Shubert, B.},
\r
14553 title = {A sequential method seeking the global maximum of a function},
\r
14554 journal = {SIAM J. Numer. Anal.},
\r
14556 pages = {379-388},
\r
14560 author = {Shukla, K. K. and Raghunath},
\r
14561 title = {An efficient global algorithm for supervised training of neural networks},
\r
14562 journal = {Computers and Electrical Engineering},
\r
14565 pages = {195(2)},
\r
14566 abstract = {Training an artificial neural network involves the use of an efficient learning algorithm to program the weights and thresholds to implement the desired input - output mapping. In this paper we present a new optimization strategy based on the method of covering a feasible set that efficiently locates the global solution on the multimodal performance surface of a neural network. Performance bounds of the new algorithm are presented. Simulation results on Rumelhart's logic function test suite demonstrate the superiority of our algorithm to the backpropagation method and its faster modifications viz. Quickprop algorithm.
\r
14567 Keywords: Neural networks; Backpropagation; Adaptive search; Covering; Global optimization; Steepest descent; Learning algorithm},
\r
14568 keywords = {Algorithms Usage
\r
14569 Neural networks Research},
\r
14573 author = {Shyi-Ming, Chen and Li-Wei, Lee},
\r
14574 title = {Fuzzy Multiple Criteria Hierarchical Group Decision-Making Based on Interval Type-2 Fuzzy Sets},
\r
14575 journal = {Systems, Man and Cybernetics, Part A: Systems and Humans, IEEE Transactions on},
\r
14578 pages = {1120-1128},
\r
14579 keywords = {arithmetic
\r
14580 computational complexity
\r
14581 decision support systems
\r
14585 arithmetic operations
\r
14586 fuzzy multiple criteria hierarchical group decision-making
\r
14587 fuzzy preference relations
\r
14588 interval type-2 fuzzy sets
\r
14589 time complexity},
\r
14593 @phdthesis{Shyu1984_thesis,
\r
14594 author = {Shyu, Y.-H. },
\r
14595 title = { Absolute continuity in the $\tau$-operations},
\r
14596 university = {Illinois Institute of Technology},
\r
14601 @article{Sibson1980_proc,
\r
14602 author = {Sibson, R.},
\r
14603 title = {A vector identity for the Dirichlet tesselation.},
\r
14604 journal = {Mathematical Proceedings of the Cambridge Philosophical Society},
\r
14606 pages = {151-155},
\r
14610 @incollection{Sibson1981_inbook,
\r
14611 author = {Sibson, R.},
\r
14612 title = {A brief description of natural neighbor interpolation},
\r
14613 booktitle = {Interpreting Multivariate Data},
\r
14614 editor = {Barnett, V.},
\r
14615 publisher = {John Wiley},
\r
14616 address = {Chichester},
\r
14621 @article{Sicilia2003_kyb,
\r
14622 author = {Sicilia, M.A. and Garcia Barriocanal, E. and Calvo, T.},
\r
14623 title = {An inquiry-based method for Choquet integral-based aggregation of interface usability parameters},
\r
14624 journal = {Kybernetica},
\r
14626 pages = {601-614},
\r
14630 @book{Sikorski2001_book,
\r
14631 author = {Sikorski, K.},
\r
14632 title = {Optimal Solution of Nonlinear Equations},
\r
14633 publisher = {Oxford University Press},
\r
14634 address = {Oxford},
\r
14638 @article{Silvert1979_IEEE,
\r
14639 author = {Silvert, W.},
\r
14640 title = {Symmetric summation: A class of operations on fuzzy sets},
\r
14641 journal = {IEEE Transactions on Systems, Man and Cybernetics},
\r
14643 pages = {659--667},
\r
14647 @article{Sintorn2008_JPDC,
\r
14648 author = {Sintorn, E. and Assarson, U.},
\r
14649 title = {Fast Parallel GPU-Sorting Using a Hybrid Algorithm},
\r
14650 journal = {J. of Parallel and Distributed Computing},
\r
14652 pages = {1381-1388},
\r
14656 @article{Sio1997_NPLet,
\r
14657 author = {Sio, K.C. and Lee, C.K.},
\r
14658 title = {Estimation of the Lipschitz Norm with Neural Networks},
\r
14659 journal = {Neural Processing Letters},
\r
14661 pages = {99-108},
\r
14665 author = {Sippl, M.J. and Némethy, G. and Scheraga, H.A.},
\r
14666 title = {Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H…O=C hydrogen bonds from packing configurations},
\r
14667 journal = {Journal of Physical Chemistry},
\r
14670 pages = {6231-6233},
\r
14671 keywords = {empirical conformational energy program for peptides and proteins (ECEPP)
\r
14672 ECEPP/2 force field
\r
14673 geometry optimization
\r
14674 molecular mechanics (MM)
\r
14675 molecular modelling
\r
14676 molecular structure},
\r
14680 @article{Sklar1959,
\r
14681 author = {Sklar, A.},
\r
14682 title = {Fonctions de repartition a n dimensions et leurs marges},
\r
14683 journal = {Publ. Inst. Statist. Univ. Paris},
\r
14685 pages = {229-231},
\r
14689 author = {Smith-Brown, M.J. and Kominos, D and Levy, R.M.},
\r
14690 title = {Global folding of proteins using a limited number of distance constraints},
\r
14691 journal = {Protein Eng.},
\r
14693 pages = {605-614},
\r
14697 @article{Smolyak1963,
\r
14698 author = {Smolyak, S.A.},
\r
14699 title = {Quadrature and interpolation formulas for tensor products of certain classes of functions},
\r
14700 journal = {Math. USSR Doklady},
\r
14702 pages = {240-243},
\r
14706 @article{Sobol1977,
\r
14707 author = {Sobol, I.},
\r
14708 title = {The production of points uniformly distributed in a multidimensional cube},
\r
14709 journal = {USSR Computational Mathematics and Mathematical Physics},
\r
14711 pages = {236-242},
\r
14715 @article{Dombi1986_EJOR,
\r
14716 author = {Solymosi, T. and Dombi, J.},
\r
14717 title = {A method for determining the weights of criteria: the centralized weights},
\r
14718 journal = {Europ. J. Oper. Res.},
\r
14724 @incollection{Dombi1992_inbook,
\r
14725 author = {Solymosi, T. and Dombi, J.},
\r
14726 title = {Fitting functions to data with error bounds: Fuzzy regression with {ERRGO}},
\r
14727 booktitle = { Fuzzy Regression Analysis},
\r
14728 editor = {Kacprzyk, J. and M., Fedrizzi},
\r
14729 publisher = {Omnitech Press},
\r
14730 address = {Warsaw },
\r
14731 pages = {101-115},
\r
14735 @article{Spath1969,
\r
14736 author = {Sp\"ath, H.},
\r
14737 title = {Exponential spline interpolation},
\r
14738 journal = {Computing},
\r
14740 pages = {225-233},
\r
14741 keywords = {Computer Science},
\r
14745 author = {Stander, B.T. and Hart, J.C.},
\r
14746 title = {A Lipschitz method for accelerated volume rendering},
\r
14747 booktitle = {1994 Symposium of volume visualization},
\r
14748 address = {New York},
\r
14749 publisher = {IEEE},
\r
14750 pages = {107-114},
\r
14754 author = {Stephens, C. P. and Baritompa, W.},
\r
14755 title = {Global optimization requires global information},
\r
14756 journal = {Journal of Optimization Theory and Applications},
\r
14759 pages = {575-588},
\r
14760 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
14761 Reprint available from: Stephens CP UNIV CANTERBURY DEPT MATH and STAT CHRISTCHURCH 1 NEW ZEALAND},
\r
14762 abstract = {There are many global optimization algorithms which do not use global information. We broaden previous results, showing limitations on such algorithms, even if allowed to run forever. We show that deterministic algorithms must sample a dense set to find the global optimum value and can never be guaranteed to converge only to global optimizers. Further, analogous results show that introducing a stochastic element does not overcome these limitations. An example is simulated annealing in practice. Our results show that there are functions for which the probability of success is arbitrarily small. [References: 20]},
\r
14763 keywords = {Global optimization. Convergence. Stochastic algorithms. Deterministic
\r
14765 Algorithm. Maximum.
\r
14766 Engineering mathematics.},
\r
14770 @article{Stromberg2000_JASA,
\r
14771 author = {Stromberg, A.J. and Hossjer, O. and Hawkins, D. M.},
\r
14772 title = {The Least Trimmed Differences Regression Estimator and Alternatives},
\r
14773 journal = {J. Amer. Statist. Assoc},
\r
14775 pages = {853-864},
\r
14779 @article{Stromberg1992,
\r
14780 author = {Stromberg, A. J. and Ruppert, D.},
\r
14781 title = {Breakdown in Nonlinear Regression},
\r
14782 journal = {J. of the American Statistical Association},
\r
14785 pages = {991-997},
\r
14786 note = {ArticleType: research-article / Full publication date: Dec., 1992 / Copyright © 1992 American Statistical Association},
\r
14787 abstract = {The breakdown point is considered an important measure of the robustness of a linear regression estimator. This article addresses the concept of breakdown in nonlinear regression. Because it is not invariant to nonlinear reparameterization, the usual definition of the breakdown point in linear regression is inadequate for nonlinear regression. The original definition of breakdown due to Hampel is more suitable for nonlinear problems but may indicate breakdown when the fitted values change very little. We introduce breakdown functions, which measure breakdown of the fitted values. Using the breakdown functions, we introduce a new definition of the breakdown point. For the linear regression model, our definition of the breakdown point coincides with the usual definition for linear regression as well as with Hampel's definition. For most nonlinear regression functions, we show that the breakdown point of the least squares estimator is 1/n. We prove that for a large class of unbounded regression functions, the breakdown point of the least median of squares or the least trimmed sum of squares estimator is close to 1/2. For monotonic regression functions of the type g(α + β x), where g is bounded above and/or below, we establish upper and lower bounds for the breakdown points that depend on the data.},
\r
14791 @book{Strongin2000_book,
\r
14792 author = {Strongin, R. G. and Sergeyev, Y. D.},
\r
14793 title = {Global optimization with non-convex constraints: sequential and parallel algorithms},
\r
14794 publisher = {Kluwer Academic},
\r
14795 address = {Dordrecht; London},
\r
14796 series = {Nonconvex optimization and its applications; v.45.},
\r
14797 keywords = {Mathematical optimization.
\r
14798 Nonconvex programming.},
\r
14802 author = {Stuart, S.J. and Berne, B.J.},
\r
14803 title = {Surface curvature effects in the aqueous ionic solvation of the chloride ion},
\r
14804 journal = {J. Phys. Chem.},
\r
14806 pages = {10300-10307},
\r
14810 author = {Stutz, C. and Runkler, T. A.},
\r
14811 title = {Fuzzy c-Mixed Prototype Clustering},
\r
14812 booktitle = {Fuzzy-Neuro-Systems'98},
\r
14813 editor = {Brauer, W.},
\r
14814 series = {Proceedinds in artificial intelligence},
\r
14815 address = {Munchen},
\r
14817 pages = {122-129},
\r
14821 author = {Suarez, Alberto and Lutsko, James F.},
\r
14822 title = {Globally Optimal Fuzzy Decision Trees for Classification and Regression},
\r
14823 journal = {IEEE Transactions on Pattern Analysis and Machine Intelligence},
\r
14827 abstract = {A fuzzy decision tree is constructed by allowing the possibility of partial membership of a point in the nodes that make up the tree structure. This extension of its expressive capabilities transforms the decision tree into a powerful functional approximant that incorporates features of connectionist methods, while remaining easily interpretable. Fuzzification is achieved by superimposing a fuzzy structure over the skeleton of a CART decision tree. A training rule for fuzzy trees, similar to backpropagation in neural networks, is designed. This rule corresponds to a global optimization algorithm that fixes the parameters of the fuzzy splits. The method developed for the automatic generation of fuzzy decision trees is applied to both classification and regression problems. In regression problems, it is seen that the continuity constraint imposed by the function representation of the fuzzy tree leads to substantial improvements in the quality of the regression and limits the tendency to overfitting. In classification, fuzzification provides a means of uncovering the structure of the probability distribution for the classification errors in attribute space. This allows the identification of regions for which the error rate of the tree is significantly lower than the average error rate, sometimes even below the Bayes misclassification rate.
\r
14828 Index Terms--Automatic learning, decision trees, fuzzy set theory, global optimization, backpropagation, nonparametric regression, classification.},
\r
14829 keywords = {Fuzzy sets Analysis
\r
14830 Regression analysis Models
\r
14836 @phdthesis{Sugeno1974,
\r
14837 author = {Sugeno, M.},
\r
14838 title = {Theory of Fuzzy Integrals and Applications},
\r
14839 university = {Tokyo Inst. of Technology},
\r
14844 @article{Sukharev1976,
\r
14845 author = {Sukharev, A.G. },
\r
14846 title = {Optimal search for the roots of a function satisfying a Lipschitz condition},
\r
14847 journal = {U.S.S.R. Comput. Math. and Math. Phys.},
\r
14849 pages = {17--26},
\r
14853 @article{Sukharev1978,
\r
14854 author = {Sukharev, A.G.},
\r
14855 title = {Optimal method of constructing best uniform approximaiton for functions of a certain class},
\r
14856 journal = {U.S.S.R. Comput. Math. and Math. Phys.},
\r
14863 @article{Sukharev1986,
\r
14864 author = {Sukharev, A.G.},
\r
14865 title = {On the existence of optimal affine methods for approximating linear functionals},
\r
14866 journal = {J. Complexity},
\r
14868 pages = {317-322},
\r
14872 @book{Sukharev1992,
\r
14873 author = {Sukharev, A.G.},
\r
14874 title = {Minimax Models in the Theory of Numerical Methods},
\r
14875 publisher = {Kluwer Academic Publishers},
\r
14876 address = {Dordrecht},
\r
14878 series = {Theory and Decision Library Series B},
\r
14882 author = {Sultan, S.M. and Almuaibed, A.M. and Townshend, A.},
\r
14883 title = {Flow injection chemiluminescence determination of medazepam},
\r
14884 journal = {Fresenius Journal of Analytical Chemistry},
\r
14886 pages = {167-169},
\r
14887 note = {Two line flow injection manifold, line one H2SO4, line two permanganate. 25mL injection loop into line one.
\r
14888 Poor detection limit (1.85 x 10-5M) could probably be enhanced with the use of a computer to collect data rather than a chart recorder, also a red sensitive PMT may achieve a better detection limit. In a similar vein to our own groups experiments, decreasing permanganate concentration resulted in increasing CL peak heights. H2SO4 concentration had no significant effect on CL peak heights. As expected flow rates had an effect. Calibration curve not shown. The proposed analysis procedure was not compared with another analytical procedure, therefore its applicability to real samples is unknown.},
\r
14889 abstract = {A new flow injection chemiluminescence method for the assay of medazepam is explored. The method involves the use of permangante in sulfuric acid for the oxidation of medazepam with the emission of chemiluminescence detected by a photomultiplier tube. A simplex procedure was employed for optimising the conditions for high sensitivity detection, which were found to be 1.03x10-3 mol/L permanganate, 0.153 mol/L sulfuric acid and 3.43 mL/min flow rate. The linear calibration range was 3.7 x 10-5 to 1.7 x 10-3 mol/L. The detection limit (3s) and the sample throughput were 1.85 x 10-5 mol/L and 100 per hour, respectively. The relative standard deviation for 5 replicate determinations of 1.9 x 10-4 mol/L medazepam was 0.15%. Common excipients (starch, glucose, maltose, lactose) used in pharmaceutical preparations had no effect. [References: 20]},
\r
14890 keywords = {Chemiluminescence/ FIA/ permanganate},
\r
14894 author = {Susnow, R. and Nachbar, R.B. and Schutt, C. and Rabitz, H.},
\r
14895 title = {Sensitivity of molecular structure to intramolecular potentials},
\r
14896 journal = {J. Phys. Chem.},
\r
14898 pages = {8585-8597},
\r
14902 @article{Takagi1985,
\r
14903 author = {Takagi, T. and Sugeno, M.},
\r
14904 title = {Fuzzy identification of systems and its application to modeling and control},
\r
14905 journal = {IEEE Transactions on Systems, Man and Cybernetics},
\r
14907 pages = {116-132},
\r
14911 author = {Takaoka, T},
\r
14912 title = {Theory of Trinomial Heaps},
\r
14913 booktitle = {Computing and Combinatorics},
\r
14914 editor = {Du, D.-Z. and Eades, P. and Estivill-Castro, V. and Lin, X. and Sharma, A.},
\r
14915 address = {Sydney},
\r
14916 publisher = {Springer},
\r
14917 pages = {362-372},
\r
14921 @article{Tan2010,
\r
14922 author = {Tan, C. and Chen, X.},
\r
14923 title = {Intuitionistic fuzzy {C}hoquet integral operator for multi-criteria decision making},
\r
14924 journal = {Expert Syst. with Applications},
\r
14926 pages = {149-157},
\r
14930 author = {Thapngam, T. and Shui, Yu and Wanlei, Zhou and Beliakov, G.},
\r
14931 title = {Discriminating DDoS attack traffic from flash crowd through packet arrival patterns},
\r
14932 booktitle = {Computer Communications Workshops (INFOCOM WKSHPS), 2011 IEEE Conference on},
\r
14933 pages = {952-957},
\r
14934 keywords = {computer network security
\r
14935 invasive software
\r
14936 telecommunication traffic
\r
14937 DDoS attack traffic discrimination
\r
14938 Pearson correlation coefficient
\r
14941 packet arrival patterns
\r
14942 packet transmission strategies
\r
14947 @article{Thiessen1911,
\r
14948 author = {Thiessen, A.H.},
\r
14949 title = {Precipitation averages for large areas},
\r
14950 journal = {Monthly Weather Report},
\r
14952 pages = {1082-1084},
\r
14956 @article{Thole1979_FSS,
\r
14957 author = {Thole, U. and Zimmermann, H.-J. and Zysno, P.},
\r
14958 title = {On the suitability of minimum and product operators for the intersection of fuzzy sets},
\r
14959 journal = {Fuzzy Sets and Systems},
\r
14961 pages = {167-180},
\r
14965 @article{lasso1996,
\r
14966 author = {Tibshirani, R. },
\r
14967 title = {Regression shrinkage and selection via the lasso},
\r
14968 journal = {J. Royal. Statist. Soc B.},
\r
14970 pages = {267-288},
\r
14974 @book{Tikhonov1977,
\r
14975 author = {Tikhonov, A. and Arsenin, V.},
\r
14976 title = {Solutions of ill-posed problems},
\r
14977 publisher = {Winston and Sons},
\r
14978 address = {Washington},
\r
14982 @article{Tiskin2009_LNCS,
\r
14983 author = {Tiskin, A.},
\r
14984 title = {Parallel Selection by Regular Sampling},
\r
14985 journal = {LNCS},
\r
14987 pages = {393-399},
\r
14991 author = {Tofallis, C.},
\r
14992 title = {Introduction to Global Optimization - Horst,R, Padalos,Pm, Thoai,Nv},
\r
14993 journal = {Journal of the Operational Research Society},
\r
14997 note = {Current Contents/Engineering, Technology and Applied Sciences Current Contents/Social and Behavioral Sciences.
\r
14998 Reprint available from: Tofallis C UNIV HERTFORDSHIRE HATFIELD HERTS ENGLAND 0014},
\r
14999 keywords = {Engineering management/general
\r
15001 Reprint available from: Tofallis C. UNIV HERTFORDSHIRE, HATFIELD, HERTS,
\r
15006 author = {Torda, A.E. and van Gunsteren, W.F.},
\r
15007 title = {Molecular modelling using NMR data},
\r
15008 booktitle = {Reviews in Computational Chemistry},
\r
15009 editor = {Lipkowitz, K.B. and Boyd, D.B.},
\r
15010 publisher = {VCH Publishers},
\r
15011 address = {New York},
\r
15013 pages = {143-172},
\r
15014 note = {ISBN 3-527-27845-1},
\r
15015 keywords = {standard review
\r
15016 computational chemistry
\r
15017 geometry optimization
\r
15018 molecular mechanics (MM)
\r
15019 molecular structure
\r
15020 molecular modelling
\r
15021 nuclear magnetic resonance (NMR)},
\r
15025 @book{Torn1989_book,
\r
15026 author = {Törn, A. and Zilinskas, A.},
\r
15027 title = {Global optimization},
\r
15028 publisher = {Springer-Verlag},
\r
15029 address = {Berlin; New York},
\r
15030 keywords = {Mathematical optimization.
\r
15031 Stochastic processes.},
\r
15035 @article{Torra1997_IJIS,
\r
15036 author = {Torra, V.},
\r
15037 title = {The weighted OWA operator},
\r
15038 journal = {Int. J. Intelligent Systems},
\r
15040 pages = {153-166},
\r
15044 @inproceedings{Torra1998_IPMU,
\r
15045 author = {Torra, V.},
\r
15046 title = {On some relationships between WOWA operator and the Choquet integral},
\r
15047 booktitle = {IPMU 1998},
\r
15048 address = {Paris},
\r
15049 pages = {818-824},
\r
15053 author = {Torra, V.},
\r
15054 title = {On the learning of weights in some aggregation operators: The weighted mean and OWA operators},
\r
15055 journal = {Mathware and Soft Computing},
\r
15057 pages = {249-265},
\r
15062 @article{Torra2002_TFS,
\r
15063 author = {Torra, V.},
\r
15064 title = {Learning weights for the quasi-weighted means},
\r
15065 journal = {IEEE Trans. on Fuzzy Syst.},
\r
15067 pages = {653-666},
\r
15071 @article{Torra2004_TFS,
\r
15072 author = {Torra, V.},
\r
15073 title = {OWA operators in data modeling and reidentification},
\r
15074 journal = {IEEE Trans. on Fuzzy Syst.},
\r
15076 pages = {652-660},
\r
15080 @article{Torra2007_TFS,
\r
15081 author = {Torra, V. and Narukawa, Y.},
\r
15082 title = {A View of Averaging Aggregation Operators},
\r
15083 journal = {IEEE Trans. on Fuzzy Systems},
\r
15085 pages = {1063-1067},
\r
15089 @book{Torra2007_book,
\r
15090 author = {Torra, V.
\r
15092 title = {Modeling Decisions. Information Fusion and Aggregation Operators},
\r
15093 publisher = {Springer},
\r
15094 address = {Berlin, Heidelberg},
\r
15098 @article{Touati2010,
\r
15099 author = {Touati, F. and Idres, M. and Kahlouche, S.},
\r
15100 title = {A Robust Method for Relative Gravity Data Estimation with High Efficiency},
\r
15101 journal = {Surv Geophys},
\r
15104 abstract = {When gravimetric data observations have outliers, using standard least squares
\r
15105 (LS) estimation will likely give poor accuracies and unreliable parameter estimates. One of
\r
15106 the typical approaches to overcome this problem consists of using the robust estimation
\r
15107 techniques. In this paper, we modified the robust estimator of Gervini and Yohai (2002)
\r
15108 called REWLSE (Robust and Efficient Weighted Least Squares Estimator), which combines
\r
15109 simultaneously high statistical efficiency and high breakdown point by replacing the
\r
15110 weight function by a new weight function. This method allows reducing the outlier impacts
\r
15111 and makes more use of the information provided by the data. In order to adapt this
\r
15112 technique to the relative gravity data, weights are computed using the empirical distribution
\r
15113 of the residuals obtained initially by the LTS (Least Trimmed Squares) estimator
\r
15114 and by minimizing the mean distances relatively to the LS-estimator without outliers. The
\r
15115 robustness of the initial estimator is maintained by adapted cut-off values as suggested by
\r
15116 the REWLSE method which allows also a reasonable statistical efficiency. Hereafter we
\r
15117 give the advantage and the pertinence of REWLSE procedure on real and semi-simulated
\r
15118 gravity data by comparing it with conventional LS and other robust approaches like M- and
\r
15123 author = {Townshend, A. and Wheatly, R.A.},
\r
15124 title = {Oxidative chemiluminescence assay of 2,4-dinitrophenylhydrazine},
\r
15125 journal = {Analyst},
\r
15128 pages = {1041-1046},
\r
15129 note = {Manganese(II) observed to diminish chemiluminescence.},
\r
15130 abstract = {This paper describes the development of an assay for 2,4-dinitrophenylhydrazine suitable for application to the determination of carbonyl compounds. Complete factorial design was used to investigate the effects of solvents and carrier on the oxidative chemiluminescence of phenylhydrazines in flow injection analysis. 2,4-dinitrophenylhydrazine gave a better analyte:blank signal than other phenylhyddrazines. Aqueous propan-2-ol was found to be the preferred solvent and aqueous formic acid containing no sensitiser the preferred carrier solution. Rhodamine B sensitiser enhanced all signals but, by it's effect on blank signals, reduced the signal to blank ratio. Simplex optimisation was carried out on six variables. The criterion was (A-B)/B where A and B are the analyte and blank signals, respectively; conditions giving analyte signals of relative standard deviation >10% were wliminated whatever the value of (A-B)/B. The optimum conditions were fine tuned by univariate exploration and emerged as 22% propan-2-ol in the sample, 0.75M formic acid carrier, 5.0x10-5M permanganate and 0.041M sulfuric acid as oxidant, 3.25 ml/min total flow rate and the water bath at 40C. These conditions can be explained in terms of a combination of flow rate and factors known to increase the rate of oxidation of 2,4-dinitrophenylhydrazine. The effects of formic acid carrier andpropan-2-ol solvent are best understood in terms of their effects in enhancing the signal by energy transfer and diminishing it by competition for permanganate. The log-log calibration for 2,4-dinitrophenylhydrazine in optimum conditions was linear (r=0.9972, n=10) from 1x10-7 to 2x10-5M; the detectivity was calculated at three standard deviations above blank was 1.1x10-7M (1.1pmol analyte). The method was found to be subject to interference from common metial ions from V to Zn in the periodic table, especially Fe(II), though EDTA largely corrected the latter effect. [References:16]},
\r
15131 keywords = {Flow injection/ chemiluminescence/ permanganate/ phenylhydrazine},
\r
15135 @book{Traub1980_book,
\r
15136 author = {Traub, J.F. and Wozniakowski, H.},
\r
15137 title = {A General Theory of Optimal Algorithms},
\r
15138 publisher = {Academic Press},
\r
15139 address = {New York},
\r
15143 author = {Trillas},
\r
15147 @article{Trillas1979,
\r
15148 author = {Trillas, E.},
\r
15149 title = {Sobre funciones de negaci\'{o}n en la teor\'{\i }a de los subconjuntos difusos},
\r
15150 journal = {Stochastica},
\r
15153 pages = {47-59 (in Spanish) Reprinted (English version) in Advances of Fuzzy Logic, S. Barro et al. (eds), Universidad de Santiago de Compostela 31--43, 1998.},
\r
15157 @inproceedings{Troiano2005_IFSA,
\r
15158 author = {Troiano, L. and Yager, R.},
\r
15159 title = {A meaure of dispersion for {OWA} operators},
\r
15160 booktitle = {Proc. of the 11th IFSA World Congress},
\r
15161 editor = {Liu, Y. and Chen, G. and Ying, M.},
\r
15162 address = {Beijing China},
\r
15163 publisher = {Tsinghua University Press and Springer},
\r
15168 @inproceedings{Troiano2005_EUSFLAT,
\r
15169 author = {Troiano, L. and Yager, R.},
\r
15170 title = {On some properties of mixing {OWA} operators with t-norms and t-conorms},
\r
15171 booktitle = {EUSFLAT 2005},
\r
15172 editor = {Montseny, E. and Sobrevilla, P.},
\r
15173 address = {Barcelona, Spain},
\r
15174 publisher = {European Society for Fuzzy Logic and Technology},
\r
15176 pages = {1206-1212},
\r
15180 @article{Troiano2005_IJUFKS,
\r
15181 author = {Troiano, L. and Yager, R.},
\r
15182 title = {Recursive and Iterative {OWA} Operators},
\r
15183 journal = {Int. J. of Uncertainty, Fuzziness and Knowledge-Based Systems},
\r
15185 pages = {579-599},
\r
15189 @incollection{Troiano2006_LNAI,
\r
15190 author = {Troiano, L. and Yager, R.},
\r
15191 title = {On the relationship between the quantifier threshold and {OWA} operators},
\r
15192 booktitle = {Modeling Decisions for Artificial Intelligence},
\r
15193 editor = {Torra, V. and Narukawa, Y. and Valls, A. and Domingo-Ferrer, J.},
\r
15194 publisher = {Springer},
\r
15195 address = {Heidelberg},
\r
15196 volume = {LNAI 3885},
\r
15197 pages = {215-226},
\r
15201 author = {Trosset, Jean-Yves and Scheraga, Harold A.},
\r
15202 title = {Reaching the global minimum in docking simulations: a Monte Carlo energy minimization approach using Bezier splines},
\r
15203 journal = {Proceedings of the National Academy of Sciences of the United States},
\r
15206 pages = {p8011(5)},
\r
15207 abstract = {The docking problem faces two major challenges: the global optimization of a multivariable function, such as the energy, and the ability to discriminate between true and false positive results, i.e., native from nonnative structures based on the input energy function. Among all energy evaluation tools, only a local energy-minimization method using an accurate enough potential function is able to discriminate between native and normative structures. To meet these requirements, a Monte Carlo with energy-minimization method has been incorporated into a new ECEPP/3 docking program. The efficiency of the simulation results from the use of an energy-grid technique based on Bezier splines and from a simplification of the receptor by switching on the energy of only important residues of the active site. Simulations of a thrombin-inhibitor complex show that the global minimum of the energy function was reached in every independent run within less than 3 min of time on an IBM RX 6000 computer. For comparison, 10 standard independent Monte Carlo simulations with [10.sup.6] steps in each were carried out. Only three of them led to a conformation close to the x-ray structure. The latter simulations required an average of 24 min and about 10 hr with and without the grid, respectively. Another important result is that the Bezier spline technique not only speeds up the calculation by reducing the number of operations during the energy evaluation but also helps in reaching the global minimum by smoothing out the potential energy surface.},
\r
15208 keywords = {Ligand binding (Biochemistry) Research
\r
15209 Thrombin Research
\r
15210 Monte Carlo method Usage},
\r
15214 @article{Tsadiras1999_FSS,
\r
15215 author = {Tsadiras, A.K. and Margaritis, K.G. },
\r
15216 title = {The MYCIN certainty factor handling function as uninorm operator and its use as a threshold function in artificial neurons},
\r
15217 journal = {Fuzzy Sets and Systems},
\r
15219 pages = {263--274},
\r
15223 @book{Tsay2002_book,
\r
15224 author = {Tsay, R.S.},
\r
15225 title = {Analysis of Financial Time Series},
\r
15226 publisher = {Wiley},
\r
15227 address = {New-York},
\r
15231 @incollection{Uncu2007_inbook,
\r
15232 author = {Uncu, O and Elghoneimy, E. and Gruver, W.A. and Kotak, D.B. and Fleetwood, M.},
\r
15233 title = {Identifying aggregation weights of decision criteria: {A}pplication of fuzzy systems to wood product manufacturing},
\r
15234 booktitle = {Forging New Frontiers: Fuzzy Pioneers I},
\r
15235 editor = {Nikravesh, M. and Kacprzyk, J. and Zadeh, L.},
\r
15236 publisher = {Springer},
\r
15237 address = {Berlin, New York},
\r
15238 pages = {415-435 },
\r
15242 @article{Uranus2001,
\r
15243 author = {Uranus, H.P. and Tjia, M.O.},
\r
15244 title = {Refractive index profile reconstruction of planar waveguides from its mode intensity using characteristic matrix mehod},
\r
15245 journal = {J. Nonlinear Optical Physics and Material},
\r
15247 pages = {169-180},
\r
15251 @article{Utreras1991_CA,
\r
15252 author = {Utreras, F. and Varas, M.L.},
\r
15253 title = {Monotone interpolation of scattered data in R^s},
\r
15254 journal = {Constr. Approx.},
\r
15260 @article{Utreras1981b,
\r
15261 author = {Utreras, F.I.},
\r
15262 title = {Optimal smoothing of noisy data using spline functions},
\r
15263 journal = {SIAM J.Sci. Statist. Comput.},
\r
15265 pages = {349-362},
\r
15269 @article{Utreras1985,
\r
15270 author = {Utreras, F.I.},
\r
15271 title = {Smoothing noisy data under monotonicity constraints existence, characterization and convergence rates},
\r
15272 journal = {Numerische Mathematik},
\r
15275 pages = {611-625},
\r
15276 keywords = {Mathematics and Statistics},
\r
15280 author = {Vacca, J.},
\r
15281 title = {The World's 20 Greatest Unsolved Problems},
\r
15282 publisher = {Prentice Hall},
\r
15283 address = {Upper Saddle River (NJ)},
\r
15285 Table of Contents
\r
15286 I. ASTRONOMY AND COSMOLOGY.
\r
15287 1. Astronomy: The Mystery of Dark Matter.
\r
15288 2. Cosmology: The Creation of the Universe.
\r
15289 3. Theoretical Cosmology and Particle Physics: The Cosmological Constant Problem.
\r
15290 II. PHYSICS AND ASTROPHYSICS.
\r
15291 4. Gravity: The Construction of a Consistent Quantum Theory of Gravity.
\r
15292 5. Particle Physics: The Mechanism that Makes Fundamental Mass.
\r
15293 6. Particle Physics and Astrophysics: The Solar Neutrino Problem.
\r
15294 7. Astrophysics: The Source of Gamma Ray Bursts.
\r
15295 8. Theoretical High-Energy Physics: The Unification of the Basic Forces.
\r
15296 9. Solid State Physics: The Mechanism Behind High-Temperature Superconductors.
\r
15297 III. BIOLOGY AND PALEONTOLOGY.
\r
15298 10. Biology: How the Basic Processes of Life Are Carried Out by DNA and Proteins.
\r
15299 11. Biology: Protein Folding.
\r
15300 12. Paleontology: How Present-Day Microbiological Information Can Be Used to Reconstruct "The Ancient Tree of Life".
\r
15301 IV. NEUROSCIENCE.
\r
15303 14. Consciousness.
\r
15305 15. The Dynamics of the Inner Earth.
\r
15306 16. Earthquake Predicting.
\r
15308 17. How Microscopic Atomic Forces Produce Various Macroscopic Behaviors.
\r
15309 18. The Fabrication and Manipulation of Carbon-Based Structures (Fullerenes).
\r
15311 19. Electrical Energy: Free Energy--The Quantum Mechanical Vacuum.
\r
15312 20. Nuclear Fusion and Waste.},
\r
15313 abstract = {Today's greatest scientific minds discuss the most intriguing unsolved scientific questions.
\r
15314 * Input from over 60 brilliant scientists selected by their colleagues.
\r
15315 * Topics include: The Beginnings of the Universe, Earthquake Prediction and the Mystery of Darkmatter.
\r
15316 * For the curious, the technical and the general science reader.
\r
15317 The World's 20 Greatest Unsolved Problems provides a step-by-step discussion of 20+ of the greatest unsolved problems in science. Given this wealth of unsolved problems in science, the author interviewed some 60 scientists (including the great physicist and cosmologist Dr. Stephen Hawking) to predict what unanswered questions and/or unsolved problems will dominate their fields over the next 20 years. Almost 100 researchers were surveyed to find these scientists, asking for nominations of the persons who are the best-of-the-best in their respective fields around the globe, and who have demonstrated a once-in-a-generation insight. The book is organized into eight parts composed of 21 chapters and four appendices, which includes an extensive glossary of scientific terms and acronyms at the back. Whether it's physicist Hideo Mabuchi's discoveries about the interface between quantum mechanics and everyday life or conservation biologist Gretchen Daily's rigorous assessments of ecosystems and economics, this new generation of scientists are probing the frontiers of knowledge, and have already shown the promise (or the work) that makes senior scientists applaud in awe.},
\r
15318 keywords = {book},
\r
15322 author = {Van Eyk, J. and Dunn, M.J.},
\r
15323 title = {Proteomic and Genomic Analysis of Cardiovascular Disease},
\r
15324 publisher = {Wiley},
\r
15325 note = {Table of Contents:
\r
15327 Large scale expression profiling in cardiovascular disease using microarrays: prospects and pitfalls
\r
15328 Global Genomic Analyses of Cardiovascular Disease: A Potential Map or Blind Alley?
\r
15329 Heart Failure: A Genomics Perspective
\r
15330 Experimental application of the genomic microarray analysis of both human and animal models of heart failure
\r
15331 Gene Profiling in the Heart by Subtractive Hybridization
\r
15332 DNA Mircoarray Gene Profiling: A Tool for the Elucidation of Cardioprotective Genes
\r
15333 Pitfalls Associated With cDNA Microarrays;
\r
15334 A Cautionary Tale
\r
15335 Application of Biologic Skepticism to Analysis of Expression Phenotypes
\r
15336 Genes involved in atherosclerosis and plaque formation
\r
15338 Proteomics of the Cardiovascular Disease - A Step Beyond Genomics
\r
15339 Mass spectrometry - A Powerful Analytical Tool
\r
15340 Differential Expression Proteomic Analysis Using Isotope Coded Affinity Tags
\r
15341 Protein chip technology in proteomics analysis
\r
15342 Recent Applications of Functional Proteomics: investigations in smooth muscle cell physiology
\r
15343 Gene Expression Profiling in Pulmonary and Systemic Vascular Cells Exposed to Biomechanical Stimuli
\r
15344 Identification of Targets of Phosphorylation in Heart Mitochondria
\r
15345 Proteomic Characterization of Protein Kinase C Signaling Tasks in the Heart
\r
15346 Identification of Secreted Oxidative Stress-Induced Factors (SOXF) and Associated Proteins:
\r
15347 Proteomics in Vascular Biology
\r
15348 Myofilament proteomics: understanding contractile dysfunction in cardiorespiratory disease
\r
15349 FUTURE PERSPECTIVES
\r
15350 Genomics Perspective for Drug Discovery
\r
15351 Proteomics: A Post-Genomic Platform for Drug Discovery and Development},
\r
15352 abstract = {This book is the very first one focusing on the proteomic and genomic analysis of cardiovascular disease, the number one killer in the industrial world. These new research approaches have already revealed new and exciting discoveries that will eventually aid in the development of new diagnostic markers and new therapeutic approaches for the control and treatment of heart disease.
\r
15354 Organized in two parts the book describes the potentials but also the limitations of these technologies. The various strategies and technical aspects that will assist the growing number of researchers in the cardiovascular area attempting to utilize these approaches are highlighted. Also the transition into clinical applications is covered. Thus, the book offers a wonderful opportunity to educate and inform graduate students, post-doctoral fellows but also professional researchers in academia and industry about the new developments in this area.},
\r
15358 author = {Van Hentenryck, Pascal and Michel, Laurent and Deville, Yves},
\r
15359 title = {Numerica: a modeling language for global optimization},
\r
15360 publisher = {MIT Press},
\r
15361 address = {Cambridge, Mass.},
\r
15363 Pascal Van Hentenryck, Laurent Michel, Yves Deville.
\r
15364 Includes bibliographical references (p. [203]-206) and index.},
\r
15365 keywords = {Mathematical optimization.
\r
15366 Nonlinear programming.},
\r
15370 author = {Vanderbei, R. J.},
\r
15371 title = {Extension of Piyavskii's algorithm to continuous global optimization},
\r
15372 journal = {Journal of Global Optimization},
\r
15375 pages = {205-216},
\r
15376 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
15377 Reprint available from: Vanderbei RJ Princeton Univ, Sch Engn and Appl Sci Princeton, NJ 08544 USA Princeton Univ, Sch Engn and Appl Sci Princeton, NJ 08544 USA 0006 J. Glob. Optim},
\r
15378 abstract = {We use the simple, but little-known, result that a uniformly continuous function on a convex set is epsilon-Lipschitz (as defined below) to extend Piyavskii's algorithm for Lipschitz global optimization to the larger domain of continuous (not-necessarily-Lipschitz) global optimization. [References: 12] 12},
\r
15379 keywords = {Global optimization. Lipschitz continuity. Piyavskii's algorithm.
\r
15380 Uniform continuity.
\r
15381 Univariate lipschitz functions.
\r
15382 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
15385 Reprint available from: Vanderbei RJ. Princeton Univ, Sch Engn and Appl
\r
15386 Sci, Princeton, NJ 08544, USA, .},
\r
15390 @book{Vanderbei1996_book,
\r
15391 author = {Vanderbei, R.J.},
\r
15392 title = {Linear Programming: Foundations and Extensions},
\r
15393 publisher = {Kluwer Academic Publishers},
\r
15394 address = {Boston},
\r
15398 author = {Vandev, D.L. and Neykov, N.M.},
\r
15399 title = {About regression estimators with high breakdown point},
\r
15400 journal = {Statistics},
\r
15402 pages = {111-129},
\r
15406 author = {Vapnik, V.},
\r
15407 title = {The nature of statistical learning theory},
\r
15408 publisher = {Springer},
\r
15409 address = {New York},
\r
15413 author = {Vasconcelos, J. A. and Saldanha, R. R. and Krahenbuhl, L. and Nicolas, A.},
\r
15414 title = {Genetic algorithm coupled with a deterministic method for optimization in electromagnetics},
\r
15415 journal = {IEEE Transactions on Magnetics},
\r
15418 pages = {p1860(5)},
\r
15419 abstract = {In this paper, a hybrid technique for global optimization based on the genetic algorithm and a deterministic method is presented. A potential advantage of the hybrid method compared to the genetic algorithm is that global optimization can be performed more efficiently. An intrinsic problem of the hybrid techniques is related to the moment of stopping the stochastic routine to hunch the deterministic one. This is investigated using some natural criteria for the commutation between the two methods. The results show that it is possible to gain in efficiency and in accuracy but the criterion is usually problem dependent. Finally, to show the solution of a real problem, the hybrid algorithm is coupled to a 2D code based on the boundary element method to optimize a connector of 145 kV GIS.},
\r
15420 keywords = {Electromagnetism Research
\r
15421 Mathematical optimization Usage
\r
15422 Algorithms Usage},
\r
15426 author = {Vassiliadis, V. S. and Floudas, C. A.},
\r
15427 title = {The Modified Barrier Function Approach for Large-Scale Optimization},
\r
15428 journal = {Computers and Chemical Engineering},
\r
15431 pages = {855-874},
\r
15432 note = {Current Contents/Engineering, Technology and Applied Sciences
\r
15433 Reprint available from: Floudas CA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA PRINCETON UNIV DEPT CHEM ENGN PRINCETON, NJ 08544 USA},
\r
15434 abstract = {This paper studies the modified barrier function approach for large-scale nonlinear constrained optimization. Following a review of the recent literature on modified barrier function approaches for nonlinear optimization, the steps of a proposed algorithm are examined in full detail. The basic steps of this algorithm comprise an outer iteration, in which the Lagrange multipliers and various penalty parameters are updated, and an inner iteration, in which an unconstrained nonlinear optimization problem is solved. The algorithm presented has been implemented in a general-purpose routine which is denoted as MBFSOL. Numerical results are presented for a variety of problems, from small to very large-scale. The examples show the effectiveness of the algorithm in very large problems, particularly in bound constrained case studies of up to many thousands of variables and severe ill-conditioning. (C) 1997 Elsevier Science Ltd. [References: 25]},
\r
15435 keywords = {Chemical engineering.},
\r
15439 author = {Vila, J. and Williams, R.L. and Vásquez, M. and Scheraga, H.A.},
\r
15440 title = { (solvation model: solvent-accessible surface model)},
\r
15441 journal = {Proteins Struct. Funct. Genet.},
\r
15444 keywords = {journal
\r
15446 solvent-accessible surface model},
\r
15450 author = {Vilesov, A. D. and Floudas, G. and Pakula, T. and Melenevskaya, E. Y. and Birshtein, T. M. and Lyatskaya, Y. V.},
\r
15451 title = {Lamellar Structure Formation in the Mixture of 2 Cylinder-Forming Block Copolymers},
\r
15452 journal = {Macromolecular Chemistry and Physics},
\r
15455 pages = {2317-2326},
\r
15456 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
15457 Reprint available from: Pakula T MAX PLANCK INST POLYMER RES POSTFACH 3148 D-55021 MAINZ GERMANY MAX PLANCK INST POLYMER RES POSTFACH 3148 D-55021 MAINZ GERMANY RUSSIAN ACAD SCI INST MACROMOLEC CPDS ST PETERSBURG 199004 RUSSIA 0004},
\r
15458 abstract = {Two cylinder-forming polystyrene-block-polybutadiene block copolymers of type A-B with antisymmetric composition (polymer P1 with A:B = 3:1 (w/w) and polymer P2 with A:B = 1:3 (w/w)) and their binary mixture were studied by small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) in order to determine the microphase structure. The cylindrical microstructure is confirmed for both copolymers, whereas, in the mixture, both techniques have unambiguously shown that a regular lamellar structure is obtained at the polymer-polymer composition P1:P2 = 1:1 (ratio of the numbers of chains). Qualitatively, the same results are obtained for corresponding systems simulated by the cooperative motion algorithm (CMA). Direct observations of the structure as well as the cooperative structure factors determined in the strong segregation limit for the simulated systems indicated lamellar structures in the blend of composition P1:P2 = 1:1, in contrast to the microfibrillar morphology of the copolymers. The simulation additionally indicated a polymer-polymer microseparation. The experimental and simulation results are compared with theoretical predictions based on the self consistent field theory. [References: 15] 15},
\r
15459 keywords = {Supermolecular structures. Diblock copolymers. Monte-carlo. 2-block.
\r
15461 Organic chemistry/polymer science.
\r
15462 Reprint available from: Pakula T. MAX PLANCK INST POLYMER RES, POSTFACH
\r
15463 3148, D-55021 MAINZ, GERMANY.},
\r
15467 author = {Vivas, N. and Laguerre, M. and Glories, Y. and Bourgeois, G. and Vitry, C.},
\r
15468 title = {Structure simulation of two ellagitannins from Quercus robur L},
\r
15469 journal = {Phytochemistry},
\r
15472 pages = {1193-1199},
\r
15473 abstract = {Two major ellagitannins from Quercus robur, vescalagin and castalagin, were studied by H-1 NMR and LSI-mass spectrometry, and molecular mechanics. A plausible 3D-structure is proposed for each of the two diastereoisomers. These structures were the most stable ones found after a conformational analysis study and their calculated NMR spectra are in good accordance with measured ones.},
\r
15474 keywords = {Quercus robur
\r
15480 molecular mechanics (MM)
\r
15481 nuclear magnetic resonance (NMR)
\r
15482 molecular modelling
\r
15483 molecular structure
\r
15485 conformational analysis
\r
15486 hydrolyzable tannins
\r
15491 @book{Voss2002_book,
\r
15492 author = {Voss, S. and Woodruff, D.},
\r
15493 title = {Optimization Software Class Libraries},
\r
15494 publisher = {Kluwer Academic Publishers},
\r
15495 address = {Boston, Dordrecht},
\r
15499 @article{Vu2012_TSMC,
\r
15500 author = {Vu, H.Q. and Li, G. and Sukhorukova, N. and Beliakov, G. and Liu, S. and Philippe, C. and Amiel, H. and Ugon, A.},
\r
15501 title = {K-complex Detection using a Hybrid-Synergic Machine Learning method},
\r
15502 journal = {IEEE Trans. on Systems, Man, Cybernetics, Part C},
\r
15503 volume = {in press},
\r
15507 author = {Wahba, G},
\r
15508 title = {Spline models for observational data},
\r
15509 publisher = {SIAM},
\r
15510 address = {Philadelphia},
\r
15514 @article{Waldron1998_SIAM,
\r
15515 author = {Waldron, S.},
\r
15516 title = {The error of linear interpolation at the vertices of a simplex},
\r
15517 journal = {SIAM J. Numer. Anal.},
\r
15519 pages = {1191-1200},
\r
15523 author = {Wales, D. J. and J., Doye},
\r
15524 title = {Global optimization by basin-hopping at the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms},
\r
15525 journal = {J. Phys. Chem.},
\r
15527 pages = {5111-5116},
\r
15531 @article{Wales1999_sc,
\r
15532 author = {Wales, D. J. and Scheraga, H. A.},
\r
15533 title = {Review: Chemistry - Global optimization of clusters, crystals, and biomolecules},
\r
15534 journal = {Science},
\r
15537 pages = {1368-1372},
\r
15538 note = {Current Contents(R)/Agriculture, Biology and Environmental Sciences Current Contents(R)/Life Sciences Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
15539 Reprint available from: Wales DJ Univ Chem Labs Lensfield Rd Cambridge CB2 1EW England Univ Chem Labs Cambridge CB2 1EW England Cornell Univ, Baker Lab Chem and Chem Biol Ithaca, NY 14853 USA 0032 Science},
\r
15540 abstract = {Finding the optimal solution to a complex optimization problem is of great importance in many fields, ranging from protein structure prediction to the design of microprocessor circuitry. Some recent progress in finding the global minima of potential energy functions is described, focusing on applications of the simple "basin-hopping" approach to atomic and molecular clusters and more complicated hypersurface deformation techniques for crystals and biomolecules. These methods have produced promising results and should enable Larger and more complex systems to be treated in the future. [References: 102] 102},
\r
15541 keywords = {Lennard-jones clusters. Diffusion equation method. Multiple-minima
\r
15542 problem. Classical density distribution. Modified genetic algorithm.
\r
15543 Lowest-energy structures. Protein-folding problem. Monte-carlo method.
\r
15544 Atomic clusters. Geometry optimization.
\r
15545 Multidisciplinary in Current Contents(R)/Agricultural, Biology and
\r
15546 Environmental Sciences
\r
15547 Multidisciplinary in Current Contents(R)/Life Sciences
\r
15548 Multidisciplinary in Current Contents(R)/Physical, Chemical and Earth
\r
15551 Reprint available from: Wales DJ. Univ Chem Labs, Lensfield Rd, Cambridge
\r
15552 CB2 1EW, England.},
\r
15556 @article{Walker1974_Ellett,
\r
15557 author = {Walker, A.J.},
\r
15558 title = {New fast method for generating discrete random numbers with arbitrary frequency distributions},
\r
15559 journal = {Electron. Lett.},
\r
15561 pages = {127-128},
\r
15565 author = {Walters, F.H. and Parker, L.R., Jnr. and Morgan, S.L. and Deming, S.N.},
\r
15566 title = {Sequential Simplex Optimization},
\r
15567 publisher = {CRC Press},
\r
15568 address = {Boca Raton, FL},
\r
15569 keywords = {simplex optimisation},
\r
15573 @incollection{Wan1994,
\r
15574 author = {Wan, E.A.},
\r
15575 title = {Time series prediciton by using a connectionist network with internal delay lines},
\r
15576 booktitle = {Time Series Prediciton},
\r
15577 editor = {Weigend, A.S. and Gershenfeld, N.A.},
\r
15578 publisher = {Addison-Wesley},
\r
15579 address = {Reading, MA},
\r
15580 pages = {195-217},
\r
15584 author = {Wang, Chuan and Principe, Jose C.},
\r
15585 title = {Training Neural Networks with Additive Noise in the Desired Signal},
\r
15586 journal = {IEEE Transactions on Neural Networks},
\r
15590 abstract = {A new global optimization strategy for training adaptive systems such as neural networks and adaptive filters [finite or infinite impulse response (FIR or IIR)] is proposed in this paper. Instead of adding random noise to the weights as proposed in the past, additive random noise is injected directly into the desired signal. Experimental results show that this procedure also speeds up greatly the backpropagation algorithm. The method is very easy to implement in practice, preserving the backpropagation algorithm and requiring a single random generator with a monotonically decreasing step size per output channel. Hence, this is an ideal strategy to speed up supervised learning, and avoid local minima entrapment when the noise variance is appropriately scheduled.
\r
15591 Index Terms--Adaptive filters, global optimization, neural networks, speaker identification, training algorithms.},
\r
15592 keywords = {Neural networks Research
\r
15593 Noise generators (Electronics) Design and construction
\r
15599 @article{Wang1998_JIFS,
\r
15600 author = {Wang, W. and Wang, Z. and Klir, G.J.},
\r
15601 title = {Genetic algorithms for determining fuzzy measures from data},
\r
15602 journal = {J. Intell. Fuzzy Systems},
\r
15604 pages = {171-183},
\r
15608 @article{Wang2005_IS,
\r
15609 author = {Wang, Y.M. and Parkan, C.},
\r
15610 title = {A minimax disparity approach for obtaining {OWA} operator weights},
\r
15611 journal = {Inform. Sci.},
\r
15617 @book{Wang1992_book,
\r
15618 author = {Wang, Z. and Klir, G.},
\r
15619 title = {Fuzzy Measure Theory},
\r
15620 publisher = {Plenum Press},
\r
15621 address = {New York},
\r
15625 @article{Wang2000_FSS,
\r
15626 author = {Wang, Z. and Leung, K.S. and Wang, J.},
\r
15627 title = {Determining nonnegative monotone set functions based on {S}ugeno's integral: an application of genetic algorithms},
\r
15628 journal = {Fuzzy Sets and Systems },
\r
15630 pages = {155-164},
\r
15634 author = {Warren, J. and Beliakov, G. and van der Zwaag, B.},
\r
15635 title = {Fuzzy logic in clinical practice decision support systems},
\r
15636 booktitle = {33nd Hawai'i International Conference on Systems Science},
\r
15637 address = {Hawaii},
\r
15638 publisher = {IEEE Computer Society Press},
\r
15642 author = {Warren, J. and Noone, J. and Smith, B. and Ruffin, R. and Frith, P. and Van der Zwaag, B. and Beliakov, G. and Frankel, H.},
\r
15643 title = {Automated Attention Flags in Chronic Disease Care Planning},
\r
15644 journal = {Ausralian Medical Journal},
\r
15646 pages = {308-312},
\r
15650 @article{Wass2006_SC,
\r
15651 author = {Wass, J.},
\r
15652 title = {Global optimization with Maple - an add-on toolkit for the experienced scientist},
\r
15653 journal = {Scientific Computing},
\r
15654 volume = {June 2006},
\r
15659 @book{Watson1992_book,
\r
15660 author = {Watson, D. F.},
\r
15661 title = {Contouring: A Guide to the Analysis and Display of Spatial Data},
\r
15662 publisher = {Pergamon Press},
\r
15663 address = {Oxford},
\r
15667 @article{Watson2000_JCAM,
\r
15668 author = {Watson, G.A.},
\r
15669 title = {Approximation in normed linear spaces},
\r
15670 journal = {J. Comp. Appl. Math.},
\r
15676 @book{Weaver1999_book,
\r
15677 author = {Weaver, N.},
\r
15678 title = {Lipschitz Algebras},
\r
15679 publisher = {World Scientific},
\r
15680 address = {Singapore},
\r
15684 @article{Weber1983_FSS,
\r
15685 author = {Weber, S.},
\r
15686 title = {A general concepts on fuzzy connectives, negations and implications based on t--norms and t--conorms},
\r
15687 journal = {Fuzzy Sets and Systems},
\r
15689 pages = {115-134},
\r
15693 @article{weber-84,
\r
15694 author = {Weber, S.},
\r
15695 title = {Measures of fuzzy sets and measures on fuzziness},
\r
15696 journal = {Fuzzy Sets and Systems},
\r
15698 pages = {114-138},
\r
15702 @book{Webster2000_book,
\r
15703 author = {Webster, D.M.},
\r
15704 title = {Protein Structure Prediction: Methods and Protocols},
\r
15705 publisher = {Humana},
\r
15706 address = {Totowa (NJ)},
\r
15707 keywords = {protein
\r
15709 molecular modelling},
\r
15713 @article{Wei2010,
\r
15714 author = {Wei, G},
\r
15715 title = {Some induced geometric aggregation operators with intuitionistic fuzzy
\r
15716 information and their application to group decision making},
\r
15717 journal = {Applied Soft Computing},
\r
15718 volume = {in press},
\r
15722 @book{Weigend1994_book,
\r
15723 author = {Weigend, A.S. and Gershenfeld, N.A.},
\r
15724 title = {Time Series Prediction},
\r
15725 publisher = {Addison-Wesley},
\r
15726 address = {Reading, MA},
\r
15730 @book{CRCEncyclopedia2002,
\r
15731 author = {Weisstein, E. W. },
\r
15732 title = {CRC Concise Encyclopedia of Mathematics},
\r
15733 publisher = {CRC Press},
\r
15734 address = {Boca Raton},
\r
15738 @article{Weiszfeld,
\r
15739 author = {Weiszfeld, E. },
\r
15740 title = {Sur le point pour lequel la somme des distances de n points donnes est minimum},
\r
15741 journal = {Tohoku Math. Journal},
\r
15743 pages = {355--386},
\r
15747 author = {Wells, J. R. and Ting, K. M. and Murshed, M. and Beliakov, G.},
\r
15748 title = {Analysis of Runtime Performance using Heap Data Structure for the Cutting Angle Global Optimisation Algorithm},
\r
15749 booktitle = {6th Intl. Conf. on Computer and Informatin Technology},
\r
15750 address = {Dhaka, Bangladesh},
\r
15751 pages = {in press},
\r
15755 author = {Westerberg, K. M. and Floudas, C. A.},
\r
15756 title = {Dynamics of peptide folding: Transition states and reaction pathways of solvated and unsolvated tetra-alanine},
\r
15757 journal = {Journal of Global Optimization},
\r
15760 pages = {261-297},
\r
15761 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
15762 Reprint available from: Westerberg KM Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0003 J. Glob. Optim},
\r
15763 abstract = {A new approach is proposed for enclosing all stationary states, including saddle points of all orders, of a potential energy surface based on the alpha BB deterministic branch and bound global optimization algorithm. This method is based on rigorous optimization methods and offers a theoretical guarentee of enclosing all solutions to the equation del V = 0. This method is applied to the ECEPP/3 (Empirical Conformational Energy Program for Peptides) potential energy surfaces of unsolvated and solvated tetra-alanine. By analyzing the topography of the potential energy surfaces, we calculate reaction pathways, transition rate matrices, time-evolution of occupation probabilities, and rate disconnectivity graphs, and we identify appropriate criteria for the selection of a reaction coordinate. [References: 18] 18},
\r
15764 keywords = {Global optimization. Dynamics. Peptide folding. Tetra-alanine.
\r
15765 Potential-energy surfaces. Differentiable constrained nlps. Global
\r
15766 optimization method. Stationary-points. Alpha-bb. Algorithm. Systems.
\r
15768 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
15771 Reprint available from: Westerberg KM. Princeton Univ, Dept Chem Engn,
\r
15772 Princeton, NJ 08544, USA, .},
\r
15776 author = {Westerberg, K. M. and Floudas, C. A.},
\r
15777 title = {Locating all transition states and studying the reaction pathways of potential energy surfaces},
\r
15778 journal = {Journal of Chemical Physics},
\r
15781 pages = {9259-9295},
\r
15782 note = {Current Contents(R)/Physical, Chemical and Earth Sciences.
\r
15783 Reprint available from: Floudas CA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA Princeton Univ, Dept Chem Engn Princeton, NJ 08544 USA 0049 J. Chem. Phys},
\r
15784 abstract = {We propose a new method for calculating all stationary states, including saddle points of all orders, of a potential energy surface based on the alpha BB deterministic branch and bound global optimization algorithm. This method is based on rigorous optimization methods and offers a theoretical guarantee of enclosing all solutions to the equation del V=0. We apply this method to Murrel-Sorbie analytic potential energy surfaces of HCN, HSiN, HBO, and CS2, and to the Empirical Conformational Energy Program for Peptides (ECEPP/3) potential energy surfaces of alanine, alanine dipeptide, and tetra-alanine. For alanine, alanine dipeptide, and tetra-alanine, we proceed to analyze the topography of the potential energy surface by calculating reaction pathways, transition rate matrices, time-evolution of occupation probabilities, and rate disconnectivity graphs. (C) 1999 American Institute of Physics. [S0021-9606(99)50818-0]. [References: 35] 35},
\r
15785 keywords = {Differentiable constrained nlps. Global optimization method. Structure
\r
15786 prediction. Stationary-points. Alanine dipeptide. Aqueous-solution.
\r
15787 Alpha-bb. Dynamics. Algorithm. Peptides.
\r
15788 Physical Chemistry/Chemical Physics in Current Contents(R)/Physical,
\r
15789 Chemical and Earth Sciences.
\r
15791 Reprint available from: Floudas CA. Princeton Univ, Dept Chem Engn,
\r
15792 Princeton, NJ 08544, USA, .},
\r
15796 @article{White1976,
\r
15797 author = {White, J.M. and Heidrich, P.F.},
\r
15798 title = {Optical waveguide refractive index profiles determined from measurement of mode indices: a simple analysis},
\r
15799 journal = {Applied Optics},
\r
15801 pages = {151-155},
\r
15805 author = {Whyte, A.R. and Lim, K.F. and Gilbert, R.G. and Hase, W.L.},
\r
15806 title = {The calculation and interpretation of average collisional energy transfer parameters},
\r
15807 journal = {Chem. Phys. Lett.},
\r
15810 pages = {377-381},
\r
15811 keywords = {journal
\r
15812 collisional energy transfer (CET)
\r
15813 molecular dynamics (MD)
\r
15814 quasiclassical trajectory (QCT)},
\r
15818 author = {Wider, G.},
\r
15819 title = {Structure determination of biological macromolecules in solution using nuclear magnetic resonance spectroscopy},
\r
15820 journal = {Biotechniques},
\r
15824 note = { Reprint available from:
\r
15826 ETH Honggerberg, Inst Mol Biol & Biophys
\r
15829 abstract = {A detailed understanding of the function of a biological macromolecule requires knowledge of its three-dimensional structure. Most atomic-resolution structures of biological macromolecules have been solved either by X-ray diffraction in single crystals or by nuclear magnetic resonance (NMR) in solution. This review surveys the method of NMR structure determination. First, a brief introduction to NMR and its basic concepts is presented. The main part of the article deals with the individual steps necessary for apr NMR structure determination. At the end, the discussion turns to considerations on the influence of the molecular size of the macromolecules on the structure determination by NMR. New techniques al-e discussed that greatly enhance the possibilities of applying NMR to large molecular systems.},
\r
15830 keywords = {journal
\r
15832 nuclear magnetic resonance (NMR)
\r
15834 molecular structure
\r
15835 geometry optimization
\r
15836 protein-structure determination
\r
15837 nuclear Overhauser effect (NOE)
\r
15838 distance geometry},
\r
15842 @article{Wilcox2004,
\r
15843 author = {Wilcox, R.R.},
\r
15844 title = {Some results on extensions and modifications of the Theil-Sen regression estimator},
\r
15845 journal = {British Journal of Mathematical and Statistical Psychology},
\r
15848 pages = {265-280},
\r
15849 abstract = {Many robust regression estimators have been proposed that have a high, finite-sample breakdown point, roughly meaning that a large porportion of points must be altered to drive the value of an estimator to infinity. But despite this, many of them can be inordinately influenced by two properly placed outliers. With one predictor, an estimator that appears to correct this problem to a fair degree, and simultaneously maintain good efficiency when standard assumptions are met, consists of checking for outliers using a projection-type method, removing any that are found, and applying the Theil – Sen estimator to the data that remain. When dealing with multiple predictors, there are two generalizations of the Theil – Sen estimator that might be used, but nothing is known about how their small-sample properties compare. Also, there are no results on testing the hypothesis of zero slopes, and there is no information about the effect on efficiency when outliers are removed. In terms of hypothesis testing, using the more obvious percentile bootstrap method in conjunction with a slight modification of Mahalanobis distance was found to avoid Type I error probabilities above the nominal level, but in some situations the actual Type I error probabilities can be substantially smaller than intended when the sample size is small. An alternative method is found to be more satisfactory. },
\r
15853 author = {Wilkinson, Barry and Allen, C. Michael},
\r
15854 title = {Parallel programming: techniques and applications using networked workstations and parallel computers},
\r
15855 publisher = {Prentice Hall},
\r
15856 address = {Upper Saddle River, N.J.},
\r
15858 Barry Wilkinson, Michael Allen.
\r
15859 Pt. I. Basic Techniques. Ch. 1. Parallel Computers. Ch. 2. Message-Passing Computing. Ch. 3. Embarrassingly Parallel Computations. Ch. 4. Partitioning and Divide-and-Conquer Strategies. Ch. 5. Pipelined Computations. Ch. 6. Synchronous Computations. Ch. 7. Load Balancing and Termination Detection. Ch. 8. Programming with Shared Memory -- Pt. II. Algorithms and Applications. Ch. 9. Sorting Algorithms. Ch. 10. Numerical Algorithms.
\r
15860 "An Alan R. Apt book."
\r
15861 Includes bibliographical references and index.},
\r
15862 abstract = {Designed for an undergraduate computer science student or professional, this text covers the techniques of parallel programming in a practical manner that enables students to write and evaluate their parallel programs. Supported by the National Science Foundation and exhaustively class-tested, it is the first text of its kind that does not require access to a special multiprocessor system, concentrating instead on parallel programs that can be executed on networked workstations using freely available parallel software tools.},
\r
15863 keywords = {Parallel programming (Computer science)},
\r
15867 @article{Willemans1996_NA,
\r
15868 author = {Willemans, K. and Dierckx, P.},
\r
15869 title = {Smoothing scattered data with a monotone Powell-Sabin spline surface},
\r
15870 journal = {Numerical Algorithms},
\r
15872 pages = {215-232},
\r
15876 author = {Winter, G.},
\r
15877 title = {Genetic algorithms in engineering and computer science},
\r
15878 publisher = {New York: J. Wiley},
\r
15879 address = {Chichester, West Sussex, England;},
\r
15882 edited by G. Winter ... [et al.]
\r
15883 Includes bibliographical references.},
\r
15884 keywords = {Neural networks (Computer science)
\r
15885 Genetic algorithms.
\r
15886 Artificial intelligence.},
\r
15890 author = {Wladkowski, B.D. and Lim, K.F. and Allen, W.D. and Brauman, J.I.},
\r
15891 title = {The SN2 identity exchange reaction ClCH2CN + Cl– Æ Cl– + ClCH2CN: experiment and theory},
\r
15892 journal = {J. Am. Chem. Soc.},
\r
15895 pages = {9136-9153},
\r
15896 keywords = {ion-molecule
\r
15897 Fourier-transform ion cyclotron resonance (FT-ICR)
\r
15898 Rampsberger-Rice-Kassel-Marcus (RRKM)},
\r
15902 author = {Wolf, Matthew D. and Landman, Uzi},
\r
15903 title = {Genetic algorithms for structural cluster optimization},
\r
15904 journal = {Journal of Physical Chemistry A},
\r
15907 pages = {6129(9)},
\r
15908 abstract = {A study was conducted relating to research on the development of optimization strategies particularly global optimization strategies in the field of physical sciences. The study examined in some detail the use of genetic algorithms for atomic and molecular cluster structural optimization through systematic observations of Lennard-Jones clusters with as many as 100 atoms. Several further extensions for improving the performance of genetic algorithms in such investigations are suggested.},
\r
15909 keywords = {Algorithms Analysis
\r
15910 Structural optimization Case studies
\r
15911 Molecular structure Research
\r
15912 Atomic structure Research},
\r
15916 @article{Wolfe1976,
\r
15917 author = {Wolfe, P.H.},
\r
15918 title = {Finding the nearest point in a polytope},
\r
15919 journal = {Math. Progr.},
\r
15921 pages = {128-149},
\r
15925 author = {Wong, Kit Po and Fan, Bei and Chang, C. S. and Liew, A. C.},
\r
15926 title = {Multi-objective generation dispatch using bi-criterion global optimization},
\r
15927 journal = {IEEE Transactions on Power Systems},
\r
15930 pages = {p1813(7)},
\r
15931 abstract = {This paper proposes a bi-criterion global optimisation approach to determine the most appropriate generation dispatch solution taking into account fuel costs, environmental costs and security requirements of power networks. The approach is based on the simulated annealing technique and the formation of a bi-criterion objective function. Its effectiveness is demonstrated through an example, in which the sample test system is a 3-area interconnected and longitudinal system. Keywords: generation dispatch, multi-objective global optimisation, simulated annealing, security constraints},
\r
15932 keywords = {Electric power systems Load dispatching
\r
15933 Electric power production Models
\r
15934 Multiple criteria decision making Technique
\r
15935 Mathematical optimization Technique},
\r
15939 @article{Wood1991_CMA,
\r
15940 author = {Wood, G. R.},
\r
15941 title = {Multidimensional bisection applied to global optimization},
\r
15942 journal = {Computers Math. Applic.},
\r
15944 pages = {161-172},
\r
15948 @article{Wood1996_JOGO,
\r
15949 author = {Wood, G. R. and Zhang, B.P.},
\r
15950 title = {Estimation of the Lipschitz constant of a function},
\r
15951 journal = {J. Global Optim.},
\r
15953 pages = {91--103},
\r
15957 @book{Wright1997_book,
\r
15958 author = {Wright, S.J.},
\r
15959 title = {Primal-Dual Interior-Point Methods},
\r
15960 publisher = {SIAM Publications},
\r
15961 address = {Philadelphia},
\r
15965 author = {Wu, D. and Wu, Z.J.},
\r
15966 title = {An updated geometric build-up algorithm for solving the molecular distance geometry problem with sparse distance data},
\r
15967 journal = {Journal of Global Optimization},
\r
15968 keywords = {global optimization
\r
15969 distance geometry
\r
15970 Protein structure determination
\r
15971 numerical linear algebra and optimization
\r
15972 molecular structure
\r
15973 distance geometry
\r
15974 protein structure determination
\r
15975 numerical linear algebra
\r
15977 year = {2003, submitted}
\r
15980 @article{Wu2007_KIS,
\r
15981 author = {Wu, Xindong and Kumar, Vipin and Quinlan, J. Ross and Ghosh, Joydeep and Yang, Qiang and Motoda, Hiroshi and McLachlan, Geoffrey J. and Ng, Angus and Liu, Bing and Yu, Philip S. and Zhou, Zhi-Hua and Steinbach, Michael and Hand, David J. and Steinberg, Dan},
\r
15982 title = {Top 10 algorithms in data mining},
\r
15983 journal = {Knowl. Inf. Syst.},
\r
15987 note = {1327436},
\r
15991 @article{Grabisch2007_FSS,
\r
15992 author = {Xie, L. and Grabisch, M.},
\r
15993 title = {The core of bicapacities and bipolar games},
\r
15994 journal = {Fuzzy Sets and Systems},
\r
15996 pages = {1000-1012},
\r
16000 @article{Xu2010_IS,
\r
16001 author = {Xu, Z.},
\r
16002 title = {Choquet integrals of weighted intuitionistic fuzzy information},
\r
16003 journal = {Inf. Sciences},
\r
16004 volume = {in press},
\r
16008 @article{Xu2008_EJOR,
\r
16009 author = {Xu, Z. and Chen, J.},
\r
16010 title = {Some models for deriving the priority weights from interval fuzzy preference relations},
\r
16011 journal = {Europ. J. Oper. Res.},
\r
16013 pages = {266-280},
\r
16017 author = {Xu, Z. and Huang, H. X. and Pardalos, P. M. and Xu, C. X.},
\r
16018 title = {Filled functions for unconstrained global optimization},
\r
16019 journal = {Journal of Global Optimization},
\r
16023 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
16024 Reprint available from: Xu Z Univ Florida, Dept Ind and Syst Engn Gainesville, FL 32611 USA Univ Florida, Dept Ind and Syst Engn Gainesville, FL 32611 USA Tsing Hua Univ, Dept Math Sci Beijing 100084 Peoples R China Xian Jiao Tong Univ, Fac Sci Xian 710049 Peoples R China 0003 J. Glob. Optim},
\r
16025 abstract = {This paper is concerned with filled function techniques for unconstrained global minimization of a continuous function of several variables. More general forms of filled functions are presented for smooth and non-smooth optimization problems. These functions have either one or two adjustable parameters. Conditions on functions and on the values of parameters are given so that the constructed functions have the desired properties of filled functions. [References: 13] 13},
\r
16026 keywords = {Global optimization. Local minimizer. Filled function. Basin. Hill.
\r
16027 Minimizers. Variables.
\r
16028 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
16034 @article{XuYager2006,
\r
16035 author = {Xu, Z. and Yager, R.},
\r
16036 title = {Some geometric aggregation operators based on intuitionistic fuzzy sets},
\r
16037 journal = {Int. J. General Syst.},
\r
16039 pages = {417-433},
\r
16043 @article{Xu2005_IJIS,
\r
16044 author = {Xu, Z.S.},
\r
16045 title = {An overview of methods for determining OWA weights},
\r
16046 journal = {Int. J. Intelligent Systems},
\r
16048 number = {843-865},
\r
16052 @article{Xu2002_IJIS,
\r
16053 author = {Xu, Z.S. and Da, Q.L.},
\r
16054 title = {The ordered weighted geometric averaging operator},
\r
16055 journal = {Int. J. Intelligent Systems},
\r
16057 pages = {709-716},
\r
16061 @article{Yager1978_FSS,
\r
16062 author = {Yager, R.},
\r
16063 title = { Fuzzy decision making using unequal objectives},
\r
16064 journal = {Fuzzy Sets and Systems},
\r
16070 @article{Yager1980_FSS,
\r
16071 author = {Yager, R.},
\r
16072 title = {On a general class of fuzzy connectives},
\r
16073 journal = {Fuzzy Sets and Systems},
\r
16075 pages = {235-242},
\r
16079 @article{Yager1988_tsmc,
\r
16080 author = {Yager, R.},
\r
16081 title = {On ordered weighted averaging aggregation operators in multicriteria decision making},
\r
16082 journal = {IEEE Transactions on Systems, Man and Cybernetics},
\r
16084 pages = {183-190},
\r
16088 @article{Yager1991_FSS,
\r
16089 author = {Yager, R.},
\r
16090 title = {Connectives and quantifiers in fuzzy sets},
\r
16091 journal = {Fuzzy Sets and Systems},
\r
16097 @article{Yager1993_fss,
\r
16098 author = {Yager, R.},
\r
16099 title = {Families of OWA operators},
\r
16100 journal = {Fuzzy Sets and Systems},
\r
16102 pages = {125-148},
\r
16106 @article{Yager1995_IS,
\r
16107 author = {Yager, R.},
\r
16108 title = {Measures of entropy and fuzziness related to aggregation operators},
\r
16109 journal = {Inform. Sci.},
\r
16111 pages = {147-166},
\r
16115 @article{Yager1996_FSSa,
\r
16116 author = {Yager, R.},
\r
16117 title = {Constrained {OWA} aggregation},
\r
16118 journal = {Fuzzy Sets and Systems},
\r
16120 pages = {89-101},
\r
16124 @article{Yager1996_IJIS,
\r
16125 author = {Yager, R.},
\r
16126 title = {Quantifier guided aggregation using OWA operators},
\r
16127 journal = {Int. J. Intelligent Systems},
\r
16133 @article{Yager1996_IJIS,
\r
16134 author = {Yager, R.},
\r
16135 title = {Quantifier guided aggregation using {OWA} operators},
\r
16136 journal = {Int. J. Intelligent Systems},
\r
16142 @article{Yager1997_IJIS,
\r
16143 author = {Yager, R.},
\r
16144 title = {Intelligent agents for World Wide Web advertising decisions},
\r
16145 journal = {Int. J. Intelligent Systems},
\r
16147 pages = {379-390},
\r
16151 @article{Yager1998_IJAR,
\r
16152 author = {Yager, R.},
\r
16153 title = {Fusion of ordinal information using weighted median aggregation},
\r
16154 journal = {Int. J. Approx. Reasonin},
\r
16160 @article{Yager1998_tfs,
\r
16161 author = {Yager, R.},
\r
16162 title = {Including importances in OWA aggregations using fuzzy systems modeling},
\r
16163 journal = {IEEE Transactions on Fuzzy Systems},
\r
16165 pages = {286-294},
\r
16169 @article{Yager2001_fss,
\r
16170 author = {Yager, R.},
\r
16171 title = {Uninorms in fuzzy systems modeling},
\r
16172 journal = {Fuzzy Sets and Systems},
\r
16174 pages = {167-175},
\r
16178 @article{Yager2002_TSMS,
\r
16179 author = {Yager, R.},
\r
16180 title = {Using Fuzzy Methods to Model Nearest Neighbor Rules},
\r
16181 journal = {IEEE Trans. on Syst., Man, and Cybernetics},
\r
16183 pages = {512-525},
\r
16187 @article{Yager2003_FSS,
\r
16188 author = {Yager, R.},
\r
16189 title = {Induced aggregation operators},
\r
16190 journal = {Fuzzy Sets and Systems},
\r
16196 @article{Yager2003_TFS,
\r
16197 author = {Yager, R.},
\r
16198 title = {Noble reinforcement in disjunctive aggregation operators},
\r
16199 journal = {IEEE Trans. on Fuzzy Syst.},
\r
16201 pages = {754-767},
\r
16205 @article{Yager2004_FODM,
\r
16206 author = {Yager, R.},
\r
16207 title = {Generalized OWA Aggregation operators},
\r
16208 journal = {Fuzzy Optimization and Decision Making},
\r
16210 pages = {93-107},
\r
16214 @article{Yager2004_fss,
\r
16215 author = {Yager, R.},
\r
16216 title = {On the determination of strength of belief for decision support under uncertainty -- Part II: fusing strengths of belief },
\r
16217 journal = {Fuzzy Sets & Systems},
\r
16219 pages = {129-142},
\r
16223 @article{Yager2004_IJIS,
\r
16224 author = {Yager, R.},
\r
16225 title = {Weighted triangular norms using generating functions},
\r
16226 journal = {Int. J. Intelligent Systems},
\r
16228 pages = {217-231},
\r
16232 @article{Yager2005_IJIS,
\r
16233 author = {Yager, R.},
\r
16234 title = {Extending multicriteria decision making by mixing t-norms and {OWA} Operators},
\r
16235 journal = {Int. J. Intelligent Systems},
\r
16237 pages = {453-474},
\r
16241 @article{Yager2007_SC,
\r
16242 author = {Yager, R.},
\r
16243 title = {Centered OWA operators},
\r
16244 journal = {Soft Computing},
\r
16246 pages = {631-639},
\r
16250 @article{Yager2007_TFS,
\r
16251 author = {Yager, R.},
\r
16252 title = {Using Stress Functions to Obtain {OWA} Operators},
\r
16253 journal = {IEEE Trans. on Fuzzy Systems},
\r
16255 pages = {1122 -1129},
\r
16259 @article{Yager2009_IJGS,
\r
16260 author = {Yager, R.},
\r
16261 title = {{OWA} aggregation of intuitionistic fuzzy sets},
\r
16262 journal = {Int. J. General Syst.},
\r
16264 pages = {617-641},
\r
16268 @article{BeliakovTFS_2010,
\r
16269 author = {Yager, R. and Beliakov, G.},
\r
16270 title = {OWA operators in regression problems},
\r
16271 journal = {IEEE Trans. on Fuzzy Systems},
\r
16273 pages = {106-113},
\r
16277 author = {Yager, R. and Beliakov, G. and James, S.},
\r
16278 title = {On generalized Bonferroni Means},
\r
16279 booktitle = {EUROFUSE Workshop Preference Modeling and Decision Analysis},
\r
16280 address = {Pamplona, Spain},
\r
16284 @book{Yager1994_book,
\r
16285 author = {Yager, R. and Filev, D.},
\r
16286 title = {Essentials of Fuzzy Modelling and Control},
\r
16287 publisher = {J. Wiley \& Sons},
\r
16288 address = {New York},
\r
16292 @book{Yager1997_book,
\r
16293 author = {Yager, R. and Kacprzyk, J.},
\r
16294 title = {The ordered weighted averaging operators. Theory and Applications.},
\r
16295 publisher = {Kluwer},
\r
16296 address = {Boston},
\r
16300 author = {Yager, R. and Kacprzyk, J. and Beliakov, G. },
\r
16301 title = {Recent Developments in the Ordered Weighted Averaging Operators:Theory and Practice},
\r
16302 publisher = {Springer},
\r
16303 address = {Heidelberg, Berlin, New York},
\r
16304 volume = {in press},
\r
16308 @article{Yager1996_fss,
\r
16309 author = {Yager, R. and Rybalov, A.},
\r
16310 title = {Uninorm aggregation operators},
\r
16311 journal = {Fuzzy Sets and Systems},
\r
16313 pages = {111-120},
\r
16317 @article{Yager1997_IJGS,
\r
16318 author = {Yager, R. and Rybalov, A.},
\r
16319 title = {Understanding the median as a fusion operator},
\r
16320 journal = {Int. J. General Syst.},
\r
16322 pages = {239-263},
\r
16326 @article{Yager2010_TFS,
\r
16327 author = {Yager, R. R.},
\r
16328 title = {Norms Induced from {OWA} Operators},
\r
16329 journal = {IEEE Trans. on Fuzzy Systems},
\r
16333 keywords = {functional analysis
\r
16335 mathematical operators
\r
16338 Ordered Weighted Averaging operators
\r
16339 buoyancy property
\r
16340 nonpositive second derivative
\r
16341 weight generating function},
\r
16345 author = {Yajima, Y.},
\r
16346 title = {Positive semidefinite relaxations for distance geometry problems},
\r
16347 journal = {Japan Journal of Industrial & Applied Mathematics},
\r
16350 pages = {87-112},
\r
16351 abstract = {We consider distance geometry problems for determining r-dimensional coordinates of n points from a given set of the distances between the points. This problem is a fundamental problem in molecular biology for finding the structure of proteins from NMR (Nuclear Magnetic Resonance) data.
\r
16352 We formulate the problem as the minimization of an error function defined by the sum of the absolute differences, which is a typical nonconvex optimization problem. We show that this problem can be reduced into a concave quadratic minimization problem. We propose positive semidefinite relaxations as well as local search procedures for this problem. Our numerical results show that we can generate acceptable solutions of the problem with up to 800 points.},
\r
16353 keywords = {Distance geometry
\r
16354 molecular conformation
\r
16355 positive semidefinite programming},
\r
16359 @article{Yamai2002_EMS,
\r
16360 author = {Yamai, Y. and Yoshiba, T. },
\r
16361 title = {On the validity of Value-at-Risk: Comparative analyses with expected shortfall},
\r
16362 journal = {Monetary and Economic Studies},
\r
16368 author = {Yao, X.},
\r
16369 title = {Evolving Artificial Neural Networks},
\r
16370 journal = {Proceedings of the IEEE},
\r
16373 pages = {1423-1447},
\r
16377 @inproceedings{warpsort,
\r
16378 author = {Ye, X. and Fan, D. and Lin, W. and Yuan, N. and Ienne, P.},
\r
16379 title = {High performance comparison-based sorting algorithm on many-core {GPU}s},
\r
16380 booktitle = {IEEE International Parallel and Distributed Processing Symposium (IPDPS)},
\r
16381 publisher = {IEEE Computer Society},
\r
16382 volume = {http://lap.epfl.ch/webdav/site/lap/shared/publications/YeApr10_HighPerformanceComparisonBasedSortingAlgorithmOnManyCoreGpus_IPDPS10.pdf},
\r
16386 author = {Yee, A. and Chang, X. and Pineda-Lucena, A. and Wu, B. and Semesi, A. and Le, B. and Ramelot, T. and Lee, G.M. and Bhattacharyya, S. and Gutierrez, P. and Denisov, A. and Lee, C.H. and Cort, J.R. and Kozlov, G. and Liao, J. and Finak, G. and Chen, L. and Wishart, D. and Lee, W. and McIntosh, L.P. and Gehring, K. and Kennedy, M.A. and Edwards, A.M. and Arrowsmith, C.H.},
\r
16387 title = {An NMR approach to structural proteomics},
\r
16388 journal = {Proceedings of the National Academy of Science (USA)},
\r
16391 pages = {1825-1830},
\r
16392 abstract = {The influx of genomic sequence information has led to the concept of structural proteomics, the determination of protein structures on a genome-wide scale. Here we describe an approach to structural proteomics of small proteins using NMR spectroscopy. Over 500 small proteins from several organisms were cloned, expressed, purified, and evaluated by NMR. Although there was variability among proteomes, overall 20% of these proteins were found to be readily amenable to NMR structure determination. NMR sample preparation was centralized in one facility, and a distributive approach was used for NMR data collection and analysis. Twelve structures are reported here as part of this approach, which allowed us to infer putative functions for several conserved hypothetical proteins.},
\r
16393 keywords = {journal
\r
16394 National Academy of Sciences (USA)
\r
16395 nuclear magnetic resonance (NMR)
\r
16397 1H-15N heteronuclear single quantum coherence (HSQC) spectra},
\r
16401 @article{Yohai1987_AS,
\r
16402 author = {Yohai, V.J.},
\r
16403 title = {High breakdown-point and high efficiency robust estimates for regression},
\r
16404 journal = {Annals of Statistics},
\r
16406 pages = {642-656},
\r
16410 @article{Yohai1987,
\r
16411 author = {Yohai, V.J.},
\r
16412 title = {High Breakdown-Point and High Efficiency Robust Estimates for Regression},
\r
16413 journal = {The Annals of Statistics},
\r
16416 pages = { 642-656},
\r
16420 @article{Yohai1988_JASA,
\r
16421 author = {Yohai, V.J. and Zamar, R.H.},
\r
16422 title = {High breakdown-point estimates of regression by means of the minimization of an efficient scale},
\r
16423 journal = {Journal of the American Statistical Association},
\r
16425 pages = {406-413},
\r
16429 @article{Yohai1988,
\r
16430 author = {Yohai, V.J. and Zamar, R.H.},
\r
16431 title = {High Breakdown-Point Estimates of Regression by Means of the Minimization of an Efficient Scale},
\r
16432 journal = {Journal of the American Statistical Association},
\r
16435 pages = {406-413},
\r
16439 author = {Yokokawa, F. and Sameshima, H. and In, Y. and Minoura, K. and Ishida, T. and Shioiri, T.},
\r
16440 title = {Total synthesis and conformational studies of ceratospongamide, a bioactive cyclic heptapeptide from marine origin},
\r
16441 journal = {Tetrahedron},
\r
16444 pages = {8127-8143},
\r
16445 abstract = {The first total synthesis of cis,cis-ceratospongamide (cyclo[L-Pro-L-Ile-Me-oxazoline-L-Phe-L-Pro-thiazole-L-Phe-]) was accomplished and confirmed by X-ray crystal analysis. The heating of cis,cis-ceratospongamide in DMSO converted it not to the trans,trans isomer but to the trans,trans-[D-allo-Ile]-ceratospongamide, which was confirmed by total synthesis. Its solution conformation was constructed by the dynamic simulated annealing method using ROE cross peaks, revealing a rounded and flat ring structure which is in contrast with the slim and tight structure of cis,cis isomer. The results shows that the trans,trans-[D-allo-Ile] isomer is the main thermal product of cis,cis-ceratospongamide.},
\r
16446 keywords = {journal
\r
16447 cis,cis-ceratospongamide
\r
16448 trans,trans-[d-allo-ile] ceratospongamide
\r
16449 thermodynamic isomerization
\r
16452 efficient synthesis
\r
16453 distance geometry
\r
16454 organic synthesis
\r
16458 nuclear magnetic resonance (NMR)},
\r
16462 author = {Yoon, J.-M. and Gad, Y. and Wu, Zhijun},
\r
16463 title = {Mathematical modeling of protein structure using distance geometry},
\r
16464 institution = {Department of Computational and Applied Mathematics, Rice University},
\r
16465 number = {Technical Report TR00-24},
\r
16466 month = {24 July 2000},
\r
16467 abstract = {The paper reviews methods for structure determination with interatomic distances and explores possible improvement of the methods and ways of combining them with potential energy minimization.},
\r
16468 keywords = {distance geometry
\r
16469 potential energy surface (PES)
\r
16470 nuclear magnetic resonance (NMR)
\r
16471 singular value decomposition (SVD)
\r
16473 global optimization
\r
16478 @book{Young2001_book,
\r
16479 author = {Young, D.},
\r
16480 title = {Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems},
\r
16481 publisher = {John Wiley and Sons},
\r
16482 abstract = {A complete bench-top guide to basic and advanced techniques used to solve real world research problems.
\r
16484 Thanks to the proliferation of inexpensive, easy-to-use computational chemistry programs, the average laboratory chemist now has access to powerful tools once reserved solely for highly trained specialists. Computational Chemistry was designed specifically to enable chemists to add computational chemistry techniques to their working arsenal.
\r
16486 This book supplies the expert advice and guidance needed to confidently choose and successfully apply the correct computational chemistry techniques to an array of real world scientific problems. Computational chemist David Young provides clear-cut descriptions and step-by-step instructions for solving technical problems. He explores basic techniques in the field with a focus on their relative strengths and limitations. In addition, Young treats a range of advanced techniques from an easy-to-understand, nonmathematical standpoint, including transition structures, reaction coordinates, reaction rates, convergence problems, QM/MM, solvation, nonlinear optical properties, relativistic effects, mesoscale methods, and more.
\r
16488 Computational Chemistry features:
\r
16489 - Prioritized lists of methods for attacking difficult computational chemistry problems
\r
16490 - Brief critical reviews of most commercially available software packages, assessing each for its overall effectiveness and practical utility
\r
16491 - A review of the material from the perspective of various chemical systems (such as organic molecules, inorganics, biomolecules, polymers, liquids, or solids)},
\r
16492 keywords = {quantum mechanics
\r
16493 ab initio quantum calculations
\r
16494 molecular mechanics (MM)
\r
16495 semiempirical theory
\r
16496 quantitative structure-property relationship (QSPR)
\r
16497 quantitative structure-activity relationship (QSAR)
\r
16498 quality control (QC)},
\r
16502 author = {Zabinsky, Z. B.},
\r
16503 title = {Stochastic methods for practical global optimization},
\r
16504 journal = {Journal of Global Optimization},
\r
16507 pages = {433-444},
\r
16508 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
16509 Reprint available from: Zabinsky ZB Univ Washington Seattle, WA 98195 USA Univ Washington Seattle, WA 98195 USA 0008 J. Glob. Optim},
\r
16510 abstract = {Engineering design problems often involve global optimization of functions that are supplied as 'black box' functions. These functions may be nonconvex, nondifferentiable and even discontinuous. In addition, the decision variables may be a combination of discrete and continuous variables. The functions are usually computationally expensive, and may involve finite element methods. An engineering example of this type of problem is to minimize the weight of a structure, while limiting strain to be below a certain threshold. This type of global optimization problem is very difficult to solve, yet design engineers must find some solution to their problem - even if it is a suboptimal one. Sometimes the most difficult part of the problem is finding any feasible solution. Stochastic methods, including sequential random search and simulated annealing, are finding many applications to this type of practical global optimization problem. Improving Hit-and-Run (MR) is a sequential random search method that has been successfully used in several engineering design applications, such as the optimal design of composite structures. A motivation to IHR is discussed as well as several enhancements. The enhancements include allowing both continuous and discrete variables in the problem formulation. This has many practical advantages, because design variables often involve a mixture of continuous and discrete values. IHR and several variations have been applied to the composites design problem. Some of this practical experience is discussed. [References: 38] 38},
\r
16511 keywords = {Adaptive search. Global optimization. Multi-disciplinary optimization.
\r
16512 Simulated annealing.
\r
16513 Random search techniques. Pure adaptive search.
\r
16514 Engineering Mathematics in Current Contents(R)/Engineering, Computing and
\r
16517 Reprint available from: Zabinsky ZB. Univ Washington, Seattle, WA 98195,
\r
16522 @article{Zabinsky2002_IJCOR,
\r
16523 author = {Zabinsky, Z. B. and Kristinsdottir, B.P. and Smith, R.L.},
\r
16524 title = {Optimal estimation of univariate black box Lipschitz functions with upper and lower error bounds},
\r
16525 journal = {Int. J. of Computers and Operations Research},
\r
16529 author = {Zabinsky, Z. B. and Wood, G. R. and Steel, M. A. and Baritompa, W. P.},
\r
16530 title = {Pure Adaptive Search for Finite Global Optimization},
\r
16531 journal = {Mathematical Programming},
\r
16534 pages = {443-448},
\r
16535 note = {Current Contents/Physical, Chemical and Earth Sciences.
\r
16536 Reprint available from: Zabinsky ZB UNIV WASHINGTON IND ENGN PROGRAM FU-20 SEATTLE, WA 98195 USA CENT QUEENSLAND UNIV DEPT MATH and COMP ROCKHAMPTON QLD AUSTRALIA UNIV CANTERBURY DEPT MATH and STAT CHRISTCHURCH 1 NEW ZEALAND 0006},
\r
16537 abstract = {Pure Adaptive Search is a stochastic algorithm which has been analyzed for continuous global optimization. When a uniform distribution is used in PAS, it has been shown to have complexity which is linear in dimension, We define strong and weak variations of PAS in the setting of finite global optimization and prove analogous results. Ln particular, for the n-dimensional lattice (1,...,k)(n), the expected number of iterations to find the global optimum is linear in n. Many discrete combinatorial optimization problems, although having intractably large domains, have quite small ranges. The strong version of PAS for all problems, and the weak version of PAS for a limited class of problems, has complexity the order of the size of the range. [References: 6] 6},
\r
16538 keywords = {Global optimization. Discrete optimization. Algorithm complexity.
\r
16539 Random search. Markov chains.
\r
16541 Reprint available from: Zabinsky ZB. UNIV WASHINGTON, IND ENGN PROGRAM,
\r
16542 FU-20, SEATTLE, WA 98195.},
\r
16546 @article{Zadeh1965_ic,
\r
16547 author = {Zadeh, L.},
\r
16548 title = {Fuzzy sets},
\r
16549 journal = {Information and Control},
\r
16551 pages = {338-353},
\r
16555 @article{Zadeh1975_IS,
\r
16556 author = {Zadeh, L.},
\r
16557 title = {The concept of a linguistic variable and its application to approximte reasoning. {P}art {I}},
\r
16558 journal = {Inform. Sci.},
\r
16560 pages = {199-249},
\r
16564 @article{Zadeh1975_IS2,
\r
16565 author = {Zadeh, L.},
\r
16566 title = {The concept of a linguistic variable and its application to approximte reasoning. {P}art {II}},
\r
16567 journal = {Inform. Sci.},
\r
16569 pages = {301-357},
\r
16573 @article{Zadeh1975_IS3,
\r
16574 author = {Zadeh, L.},
\r
16575 title = {The concept of a linguistic variable and its application to approximte reasoning. {P}art {III}},
\r
16576 journal = {Inform. Sci.},
\r
16582 @article{zadeh-78,
\r
16583 author = {Zadeh, L.},
\r
16584 title = {Fuzzy sets as a basis for a theory of possibility},
\r
16585 journal = {Fuzzy Sets and Systems},
\r
16591 @incollection{Zadeh1985,
\r
16592 author = {Zadeh, L.},
\r
16593 title = {The role of fuzzy logic in the management of uncertainty in expert systems},
\r
16594 booktitle = {Approximate Reasoning in Expert Systems},
\r
16595 editor = {Gupta, M.M. and Kandel, A. and Bandler, W. and Kiszka, J.B.},
\r
16596 publisher = {Elsevier},
\r
16597 address = {North-Holland},
\r
16601 author = {Zarghami, M. and Szidarovszky, F. and Ardakanian, R.},
\r
16602 title = {Sensitivity analysis of the OWA operator},
\r
16603 journal = {Ieee Transactions on Systems Man and Cybernetics Part B-Cybernetics},
\r
16606 pages = {547-552},
\r
16607 note = {ISI Document Delivery No.: 274VC
\r
16609 Cited Reference Count: 19
\r
16610 Zarghami, Mahdi Szidarovszky, Ferenc Ardakanian, Reza
\r
16611 IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC},
\r
16612 abstract = {The successful design and application of the ordered weighted averaging (OWA) method as a decision-making tool depend on the efficient computation of its order weights. The most popular methods for determining the order weights are the fuzzy linguistic quantifiers approach and the minimal variability method, which give different behavior patterns for the OWA. These two methods will be first analyzed in detail by using sensitivity analysis on the outputs of the OWA with respect to the optimism degree of the decision maker, and then the two methods will be compared. The fuzzy linguistic quantifiers approach gives more information about the behavior of the OWA outputs in comparison to the minimal variability method. However, in using the minimal variability method, the OWA has a linear behavior with respect to the optimism degree, and, therefore, it has better computation efficiency. Since maximizing the combined goodness measure and minimizing its sensitivity to optimism degree are conflicting objectives, a new composite measure of goodness will be defined to have more reliability in obtaining optimal solutions. The theoretical results will be illustrated in a water resources management problem.},
\r
16613 keywords = {fuzzy linguistic quantifiers
\r
16614 minimal variability method
\r
16617 ordered weighted averaging (OWA) operator
\r
16618 sensitivity analysis
\r
16619 MULTICRITERIA DECISION-MAKING
\r
16620 MATHEMATICAL-THEORY
\r
16626 author = {Zhai, J. H. and Yan, Y. B. and Jin, G. F. and Wu, M. X.},
\r
16627 title = {Global/Local United Search Algorithm for Global Optimization},
\r
16628 journal = {Optik},
\r
16631 pages = {161-164},
\r
16632 note = {Current Contents/Physical, Chemical and Earth Sciences Current Contents/Engineering, Technology and Applied Sciences
\r
16633 Reprint available from: Zhai JH TSING HUA UNIV DEPT PRECIS INSTRUMENTS BEIJING 100084 PEOPLES REPUBLIC OF CHINA},
\r
16634 abstract = {A new global optimization method, which embeds the genetic search and simulated annealing concept into the ''hill-climbing'' methods, has been presented for the design of diffractive phase plates. The new algorithm combines the global exploration properties of Genetic/Annealing algorithms and the accurate exploitation power of the ''hill-climbing'' algorithms, resulting in quickly converging to the global optimum. [References: 5]},
\r
16635 keywords = {Applied physics/condensed matter/materials science. Optics and acoustics.},
\r
16639 author = {Zhang, C. and Hou, J.T. and Kim, S.H.},
\r
16640 title = {Fold prediction of helical proteins using torsion angle dynamics and predicted restraints},
\r
16641 journal = {Proceedings of the National Academy of Science (USA)},
\r
16644 pages = {3581-3585},
\r
16645 abstract = {We describe a procedure for predicting the tertiary folds of a-helical proteins from their primary sequences. The central component of the procedure is a method for predicting interhelical contacts that is based on a helix-packing model. Instead of predicting the individual contacts, our method attempts to identify the entire patch of contacts that involve residues regularly spaced in the sequences. We use this component to glue together two powerful existing methods: a secondary structure prediction program, whose output serves as the input to the contact prediction algorithm, and the tortion angle dynamics program, which uses the predicted tertiary contacts and secondary structural states to assemble three-dimensional structures. In the final step, the procedure uses the initial set of simulated structures to refine the predicted contacts for a new round of structure calculation. When tested against 24 small to medium-sized proteins representing a wide range of helical folds, the completely automated procedure is able to generate native-like models within a limited number of trials consistently.},
\r
16646 keywords = {journal
\r
16647 National Academy of Sciences (USA)
\r
16648 nuclear magnetic resonance (NMR)
\r
16649 nuclear Overhauser effect (NOE)
\r
16650 distance geometry
\r
16651 molecular dynamics (MD)
\r
16656 author = {Zhang, X. M. and Chen, Y. Q.},
\r
16657 title = {Ray-guided global optimization method for training neural networks},
\r
16658 journal = {Neurocomputing},
\r
16661 pages = {333-337},
\r
16662 note = {Current Contents(R)/Engineering, Computing and Technology.
\r
16663 Reprint available from: Chen YQ Nanyang Technol Univ, Sch Elect and Elect Engn Block S1 Singapore 639798 Singapore Nanyang Technol Univ, Sch Elect and Elect Engn Singapore 639798 Singapore 0028 Neurocomputing},
\r
16664 abstract = {A novel method for globally searching to find the good minima is proposed in this paper. Starting from a local minimum, the weight space around it is scanned with the process being guided by terrain-independent emanating rays. During the search, starting points for further exploration are identified and used to find corresponding local minima. Based on the correct classification rate (CCR) on the validation data, the best minimum is found. (C) 2000 Elsevier Science B.V. All rights reserved. [References: 7] 7},
\r
16665 keywords = {AI, Robotics, and Automatic Control in Current Contents(R)/Engineering,
\r
16666 Computing and Technology.
\r
16668 Reprint available from: Chen YQ. Nanyang Technol Univ, Sch Elect and Elect
\r
16669 Engn, Block S1, Singapore 639798, Singapore.},
\r
16673 author = {Zhang, Xiang-Sun},
\r
16674 title = {Neural networks in optimization},
\r
16675 publisher = {Kluwer Academic Publishers},
\r
16676 address = {Boston, Mass.},
\r
16677 series = {Nonconvex optimization and its applications; v. 46.},
\r
16679 by Ziang-Sun Zhang.
\r
16680 Includes bibliographical references and index.},
\r
16681 keywords = {Mathematical optimization Data processing.
\r
16682 Neural networks (Computer science)},
\r
16686 author = {Zhao, H. and Xu, Z. and Ni, M. and Liu, S.},
\r
16687 title = {Generalized Aggregation Operators for
\r
16688 Intuitionistic Fuzzy Sets},
\r
16689 journal = {Int. J. Intelligent Syst.},
\r
16695 @book{Zimmermann1996_book,
\r
16696 author = {Zimmermann, H.-J.},
\r
16697 title = {Fuzzy set theory - and its applications},
\r
16698 publisher = {Kluwer},
\r
16699 address = {Boston},
\r
16703 @article{Zimmermann1980_fss,
\r
16704 author = {Zimmermann, H.-J. and Zysno, P.},
\r
16705 title = {Latent connectives in human decision making},
\r
16706 journal = {Fuzzy Sets and Systems},
\r
16712 @article{Zioutas2005,
\r
16713 author = {Zioutas, G. and Avramidis, A. and Pitsoulis, L.},
\r
16714 title = {A Penalized Trimmed Squares Method for Deleting Outliers in Robust Regression},
\r
16715 abstract = {We consider the problem of identifying multiple outliers in linear regression models. In robust regression the unusual observations should be removed from the sample in order to obtain better fitting for the rest of the observations. Based on the LTS estimate, we propose a penalized trimmed square estimator PTS, where penalty costs for discarding outliers are inserted into the loss function. We search for suitable penalty costs for multiple high-leverage outliers, which are based on robust leverage and scale. Thus, the best fit for the majority of the data is obtained after eliminating only outliers from the data set. The robust estimation is obtained by minimizing the loss function with a mathematical programming technique, computationally suitable for small sample data. The computational load and the effectiveness of the new procedure are improved by using the idea of e-insensitive tube from support vectors machine regression. The PTS loss function is transformed to an e-Insensitive, where small errors are ignored, and the mathematical formula gains the sparseness property. The good performance of the PTS estimator allows identification of multiple outliers avoiding masking or swamping effects. We conduct benchmark examples and a simulation study to investigate the procedure’s efficiency for robust estimation and power as outlier detection. As a result, the performance of both types of PTS is superior to other methods and is worth the extra computational load.},
\r
16719 author = {Zou, Mou-Yan and Zou, Xi},
\r
16720 title = {Global Optimization: An Auxiliary Cost Function Approach},
\r
16721 journal = {IEEE Transactions on Systems, Man, and Cybernetics--Part A: Systems and Humans},
\r
16725 abstract = {An efficient and practical solution to a class of global function optimization is proposed. The new algorithm consists of a stochastic search of initial guesses and a gradient-based solution-finding algorithm. The key idea is to introduce an auxiliary cost function that can indicate whether the gradient-based solution-finding process goes toward a global minimum of the cost function and that helps us to prevent the process from going to local minima. Simulation examples are used to show the mechanism, power, and restrictions of the approach.
\r
16726 Index Terms--Auxiliary cost function, global optimization, optimization.},
\r
16730 @article{Mammadov2008,
\r
16731 author = {Zukerman, M. and Mammadov, M. and Tan, L. and Ouveysi, I. and H., Lachlan A. L.},
\r
16732 title = {To be fair or efficient or a bit of both},
\r
16733 journal = {Computers & Operations Research},
\r
16736 pages = {3787-3806},
\r
16737 note = {doi: 10.1016/j.cor.2007.02.007},
\r
16738 keywords = {Non-linear programming
\r
16739 Utility optimization
\r
16741 Efficiency-fairness tradeoff
\r
16742 Bandwidth allocation},
\r
