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347 % correct bad hyphenation here
348 \hyphenation{op-tical net-works semi-conduc-tor}
351 \usepackage[utf8]{inputenc}
352 \usepackage[T1]{fontenc}
353 \usepackage{algorithm}
354 \usepackage{algpseudocode}
357 \usepackage{multirow}
358 \usepackage{graphicx}
360 \algnewcommand\algorithmicinput{\textbf{Input:}}
361 \algnewcommand\Input{\item[\algorithmicinput]}
363 \algnewcommand\algorithmicoutput{\textbf{Output:}}
364 \algnewcommand\Output{\item[\algorithmicoutput]}
366 \newtheorem{proposition}{Proposition}
371 % can use linebreaks \\ within to get better formatting as desired
372 \title{TSIRM: A Two-Stage Iteration with least-squares Residual Minimization algorithm to solve large sparse linear systems}
379 % author names and affiliations
380 % use a multiple column layout for up to two different
383 \author{\IEEEauthorblockN{Rapha\"el Couturier\IEEEauthorrefmark{1}, Lilia Ziane Khodja\IEEEauthorrefmark{2}, and Christophe Guyeux\IEEEauthorrefmark{1}}
384 \IEEEauthorblockA{\IEEEauthorrefmark{1} Femto-ST Institute, University of Franche-Comt\'e, France\\
385 Email: \{raphael.couturier,christophe.guyeux\}@univ-fcomte.fr}
386 \IEEEauthorblockA{\IEEEauthorrefmark{2} INRIA Bordeaux Sud-Ouest, France\\
387 Email: lilia.ziane@inria.fr}
392 % conference papers do not typically use \thanks and this command
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398 % of the page, use this alternative format:
400 %\author{\IEEEauthorblockN{Michael Shell\IEEEauthorrefmark{1},
401 %Homer Simpson\IEEEauthorrefmark{2},
402 %James Kirk\IEEEauthorrefmark{3},
403 %Montgomery Scott\IEEEauthorrefmark{3} and
404 %Eldon Tyrell\IEEEauthorrefmark{4}}
405 %\IEEEauthorblockA{\IEEEauthorrefmark{1}School of Electrical and Computer Engineering\\
406 %Georgia Institute of Technology,
407 %Atlanta, Georgia 30332--0250\\ Email: see http://www.michaelshell.org/contact.html}
408 %\IEEEauthorblockA{\IEEEauthorrefmark{2}Twentieth Century Fox, Springfield, USA\\
409 %Email: homer@thesimpsons.com}
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411 %Telephone: (800) 555--1212, Fax: (888) 555--1212}
412 %\IEEEauthorblockA{\IEEEauthorrefmark{4}Tyrell Inc., 123 Replicant Street, Los Angeles, California 90210--4321}}
417 % use for special paper notices
418 %\IEEEspecialpapernotice{(Invited Paper)}
423 % make the title area
428 In this article, a two-stage iterative algorithm is proposed to improve the
429 convergence of Krylov based iterative methods, typically those of GMRES
430 variants. The principle of the proposed approach is to build an external
431 iteration over the Krylov method, and to frequently store its current residual
432 (at each GMRES restart for instance). After a given number of outer iterations,
433 a least-squares minimization step is applied on the matrix composed by the saved
434 residuals, in order to compute a better solution and to make new iterations if
435 required. It is proven that the proposal has the same convergence properties
436 than the inner embedded method itself. Experiments using up to 16,394 cores
437 also show that the proposed algorithm runs around 5 or 7 times faster than
442 Iterative Krylov methods; sparse linear systems; two stage iteration; least-squares residual minimization; PETSc
446 % For peer review papers, you can put extra information on the cover
448 % \ifCLASSOPTIONpeerreview
449 % \begin{center} \bfseries EDICS Category: 3-BBND \end{center}
452 % For peerreview papers, this IEEEtran command inserts a page break and
453 % creates the second title. It will be ignored for other modes.
454 \IEEEpeerreviewmaketitle
459 % An example of a floating figure using the graphicx package.
460 % Note that \label must occur AFTER (or within) \caption.
461 % For figures, \caption should occur after the \includegraphics.
462 % Note that IEEEtran v1.7 and later has special internal code that
463 % is designed to preserve the operation of \label within \caption
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468 % Reminder: the "draftcls" or "draftclsnofoot", not "draft", class
469 % option should be used if it is desired that the figures are to be
470 % displayed while in draft mode.
474 %\includegraphics[width=2.5in]{myfigure}
475 % where an .eps filename suffix will be assumed under latex,
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477 % via \DeclareGraphicsExtensions.
478 %\caption{Simulation Results}
482 % Note that IEEE typically puts floats only at the top, even when this
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487 % (The subfig.sty package must be loaded for this to work.)
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490 % \hfil must be used as a separator to get equal spacing.
491 % The subfigure.sty package works much the same way, except \subfigure is
492 % used instead of \subfloat.
495 %\centerline{\subfloat[Case I]\includegraphics[width=2.5in]{subfigcase1}%
496 %\label{fig_first_case}}
498 %\subfloat[Case II]{\includegraphics[width=2.5in]{subfigcase2}%
499 %\label{fig_second_case}}}
500 %\caption{Simulation results}
504 % Note that often IEEE papers with subfigures do not employ subfigure
505 % captions (using the optional argument to \subfloat), but instead will
506 % reference/describe all of them (a), (b), etc., within the main caption.
509 % An example of a floating table. Note that, for IEEE style tables, the
510 % \caption command should come BEFORE the table. Table text will default to
511 % \footnotesize as IEEE normally uses this smaller font for tables.
512 % The \label must come after \caption as always.
515 %% increase table row spacing, adjust to taste
516 %\renewcommand{\arraystretch}{1.3}
517 % if using array.sty, it might be a good idea to tweak the value of
518 % \extrarowheight as needed to properly center the text within the cells
519 %\caption{An Example of a Table}
520 %\label{table_example}
522 %% Some packages, such as MDW tools, offer better commands for making tables
523 %% than the plain LaTeX2e tabular which is used here.
524 %\begin{tabular}{|c||c|}
534 % Note that IEEE does not put floats in the very first column - or typically
535 % anywhere on the first page for that matter. Also, in-text middle ("here")
536 % positioning is not used. Most IEEE journals/conferences use top floats
537 % exclusively. Note that, LaTeX2e, unlike IEEE journals/conferences, places
538 % footnotes above bottom floats. This can be corrected via the \fnbelowfloat
539 % command of the stfloats package.
543 %%%*********************************************************
544 %%%*********************************************************
545 \section{Introduction}
547 % You must have at least 2 lines in the paragraph with the drop letter
548 % (should never be an issue)
550 Iterative methods have recently become more attractive than direct ones to solve
551 very large sparse linear systems\cite{Saad2003}. They are more efficient in a
552 parallel context, supporting thousands of cores, and they require less memory
553 and arithmetic operations than direct methods~\cite{bahicontascoutu}. This is
554 why new iterative methods are frequently proposed or adapted by researchers, and
555 the increasing need to solve very large sparse linear systems has triggered the
556 development of such efficient iterative techniques suitable for parallel
559 Most of the successful iterative methods currently available are based on
560 so-called ``Krylov subspaces''. They consist in forming a basis of successive
561 matrix powers multiplied by an initial vector, which can be for instance the
562 residual. These methods use vectors orthogonality of the Krylov subspace basis
563 in order to solve linear systems. The most known iterative Krylov subspace
564 methods are conjugate gradient and GMRES ones (Generalized Minimal RESidual).
567 However, iterative methods suffer from scalability problems on parallel
568 computing platforms with many processors, due to their need of reduction
569 operations, and to collective communications to achieve matrix-vector
570 multiplications. The communications on large clusters with thousands of cores
571 and large sizes of messages can significantly affect the performances of these
572 iterative methods. As a consequence, Krylov subspace iteration methods are often
573 used with preconditioners in practice, to increase their convergence and
574 accelerate their performances. However, most of the good preconditioners are
575 not scalable on large clusters.
577 In this research work, a two-stage algorithm based on two nested iterations
578 called inner-outer iterations is proposed. This algorithm consists in solving
579 the sparse linear system iteratively with a small number of inner iterations,
580 and restarting the outer step with a new solution minimizing some error
581 functions over some previous residuals. For further information on two-stage
582 iteration methods, interested readers are invited to
583 consult~\cite{Nichols:1973:CTS}. Two-stage algorithms are easy to parallelize on
584 large clusters. Furthermore, the least-squares minimization technique improves
585 its convergence and performances.
587 The present article is organized as follows. Related works are presented in
588 Section~\ref{sec:02}. Section~\ref{sec:03} details the two-stage algorithm using
589 a least-squares residual minimization, while Section~\ref{sec:04} provides
590 convergence results regarding this method. Section~\ref{sec:05} shows some
591 experimental results obtained on large clusters using routines of PETSc
592 toolkit. This research work ends by a conclusion section, in which the proposal
593 is summarized while intended perspectives are provided.
595 %%%*********************************************************
596 %%%*********************************************************
600 %%%*********************************************************
601 %%%*********************************************************
602 \section{Related works}
604 Krylov subspace iteration methods have increasingly become very useful and popular for solving linear equations.
607 %GMRES method is one of the most widely used iterative solvers chosen to deal with the sparsity and the large order of linear systems. It was initially developed by Saad \& al.~\cite{Saad86} to deal with non-symmetric and non-Hermitian problems, and indefinite symmetric problems too. The convergence of the restarted GMRES with preconditioning is faster and more stable than those of some other iterative solvers.
609 %The next two chapters explore a few methods which are considered currently to be among the most important iterative techniques available for solving large linear systems. These techniques are based on projection processes, both orthogonal and oblique, onto Krylov subspaces, which are subspaces spanned by vectors of the form p(A)v where p is a polynomial. In short, these techniques approximate A −1 b by p(A)b, where p is a “good” polynomial. This chapter covers methods derived from, or related to, the Arnoldi orthogonalization. The next chapter covers methods based on Lanczos biorthogonalization.
611 %Krylov subspace techniques have inceasingly been viewed as general purpose iterative methods, especially since the popularization of the preconditioning techniqes.
613 %Preconditioned Krylov-subspace iterations are a key ingredient in many modern linear solvers, including in solvers that employ support preconditioners.
614 %%%*********************************************************
615 %%%*********************************************************
619 %%%*********************************************************
620 %%%*********************************************************
621 \section{Two-stage iteration with least-squares residuals minimization algorithm}
623 A two-stage algorithm is proposed to solve large sparse linear systems of the
624 form $Ax=b$, where $A\in\mathbb{R}^{n\times n}$ is a sparse and square
625 nonsingular matrix, $x\in\mathbb{R}^n$ is the solution vector, and
626 $b\in\mathbb{R}^n$ is the right-hand side. As explained previously,
627 the algorithm is implemented as an
628 inner-outer iteration solver based on iterative Krylov methods. The main
629 key-points of the proposed solver are given in Algorithm~\ref{algo:01}.
630 It can be summarized as follows: the
631 inner solver is a Krylov based one. In order to accelerate its convergence, the
632 outer solver periodically applies a least-squares minimization on the residuals computed by the inner one. %Tsolver which does not required to be changed.
634 At each outer iteration, the sparse linear system $Ax=b$ is partially solved
635 using only $m$ iterations of an iterative method, this latter being initialized
636 with the last obtained approximation. GMRES method~\cite{Saad86}, or any of its
637 variants, can potentially be used as inner solver. The current approximation of
638 the Krylov method is then stored inside a $n \times s$ matrix $S$, which is
639 composed by the $s$ last solutions that have been computed during the inner
640 iterations phase. In the remainder, the $i$-th column vector of $S$ will be
643 At each $s$ iterations, another kind of minimization step is applied in order to
644 compute a new solution $x$. For that, the previous residuals of $Ax=b$ are computed by
645 the inner iterations with $(b-AS)$. The minimization of the residuals is obtained by
647 \underset{\alpha\in\mathbb{R}^{s}}{min}\|b-R\alpha\|_2
650 with $R=AS$. The new solution $x$ is then computed with $x=S\alpha$.
653 In practice, $R$ is a dense rectangular matrix belonging in $\mathbb{R}^{n\times s}$,
654 with $s\ll n$. In order to minimize~\eqref{eq:01}, a least-squares method such as
655 CGLS ~\cite{Hestenes52} or LSQR~\cite{Paige82} is used. Remark that these methods are more
656 appropriate than a single direct method in a parallel context.
662 \begin{algorithmic}[1]
663 \Input $A$ (sparse matrix), $b$ (right-hand side)
664 \Output $x$ (solution vector)\vspace{0.2cm}
665 \State Set the initial guess $x_0$
666 \For {$k=1,2,3,\ldots$ until convergence ($error<\epsilon_{tsirm}$)} \label{algo:conv}
667 \State $[x_k,error]=Solve(A,b,x_{k-1},max\_iter_{kryl})$ \label{algo:solve}
668 \State $S_{k \mod s}=x_k$ \label{algo:store} \Comment{update column ($k \mod s$) of $S$}
669 \If {$k \mod s=0$ {\bf and} $error>\epsilon_{kryl}$}
670 \State $R=AS$ \Comment{compute dense matrix} \label{algo:matrix_mul}
671 \State $\alpha=Least\_Squares(R,b,max\_iter_{ls})$ \label{algo:}
672 \State $x_k=S\alpha$ \Comment{compute new solution}
679 Algorithm~\ref{algo:01} summarizes the principle of the proposed method. The
680 outer iteration is inside the \emph{for} loop. Line~\ref{algo:solve}, the Krylov
681 method is called for a maximum of $max\_iter_{kryl}$ iterations. In practice,
682 we suggest to set this parameter equal to the restart number in the GMRES-like
683 method. Moreover, a tolerance threshold must be specified for the solver. In
684 practice, this threshold must be much smaller than the convergence threshold of
685 the TSIRM algorithm (\emph{i.e.}, $\epsilon_{tsirm}$). We also consider that
686 after the call of the $Solve$ function, we obtain the vector $x_k$ and the error
687 which is defined by $||Ax_k-b||_2$.
689 Line~\ref{algo:store},
690 $S_{k \mod s}=x_k$ consists in copying the solution $x_k$ into the column $k
691 \mod s$ of $S$. After the minimization, the matrix $S$ is reused with the new
692 values of the residuals. To solve the minimization problem, an iterative method
693 is used. Two parameters are required for that: the maximum number of iterations
694 and the threshold to stop the method.
696 Let us summarize the most important parameters of TSIRM:
698 \item $\epsilon_{tsirm}$: the threshold to stop the TSIRM method;
699 \item $max\_iter_{kryl}$: the maximum number of iterations for the Krylov method;
700 \item $s$: the number of outer iterations before applying the minimization step;
701 \item $max\_iter_{ls}$: the maximum number of iterations for the iterative least-squares method;
702 \item $\epsilon_{ls}$: the threshold used to stop the least-squares method.
706 The parallelization of TSIRM relies on the parallelization of all its
707 parts. More precisely, except the least-squares step, all the other parts are
708 obvious to achieve out in parallel. In order to develop a parallel version of
709 our code, we have chosen to use PETSc~\cite{petsc-web-page}. For
710 line~\ref{algo:matrix_mul} the matrix-matrix multiplication is implemented and
711 efficient since the matrix $A$ is sparse and since the matrix $S$ contains few
712 columns in practice. As explained previously, at least two methods seem to be
713 interesting to solve the least-squares minimization, CGLS and LSQR.
715 In the following we remind the CGLS algorithm. The LSQR method follows more or
716 less the same principle but it takes more place, so we briefly explain the parallelization of CGLS which is similar to LSQR.
720 \begin{algorithmic}[1]
721 \Input $A$ (matrix), $b$ (right-hand side)
722 \Output $x$ (solution vector)\vspace{0.2cm}
723 \State Let $x_0$ be an initial approximation
727 \State $\gamma=||s_0||^2_2$
728 \For {$k=1,2,3,\ldots$ until convergence ($\gamma<\epsilon_{ls}$)} \label{algo2:conv}
730 \State $\alpha_k=\gamma/||q_k||^2_2$
731 \State $x_k=x_{k-1}+\alpha_kp_k$
732 \State $r_k=r_{k-1}-\alpha_kq_k$
734 \State $\gamma_{old}=\gamma$
735 \State $\gamma=||s_k||^2_2$
736 \State $\beta_k=\gamma/\gamma_{old}$
737 \State $p_{k+1}=s_k+\beta_kp_k$
744 In each iteration of CGLS, there is two matrix-vector multiplications and some
745 classical operations: dot product, norm, multiplication and addition on vectors. All
746 these operations are easy to implement in PETSc or similar environment.
750 %%%*********************************************************
751 %%%*********************************************************
753 \section{Convergence results}
757 We can now claim that,
760 If $A$ is either a definite positive or a positive matrix and GMRES($m$) is used as solver, then the TSIRM algorithm is convergent.
762 Furthermore, let $r_k$ be the
763 $k$-th residue of TSIRM, then
764 we have the following boundaries:
766 \item when $A$ is positive:
768 ||r_k|| \leqslant \left(1-\dfrac{\alpha}{\beta}\right)^{\frac{km}{2}} ||r_0|| ,
770 where $M$ is the symmetric part of $A$, $\alpha = \lambda_{min}(M)^2$ and $\beta = \lambda_{max}(A^T A)$;
771 \item when $A$ is positive definite:
773 \|r_k\| \leq \left( 1-\frac{\lambda_{\mathrm{min}}^2(1/2(A^T + A))}{ \lambda_{\mathrm{max}}(A^T A)} \right)^{km/2} \|r_0\|.
776 %In the general case, where A is not positive definite, we have
777 %$\|r_n\| \le \inf_{p \in P_n} \|p(A)\| \le \kappa_2(V) \inf_{p \in P_n} \max_{\lambda \in \sigma(A)} |p(\lambda)| \|r_0\|, .$
781 Let us first recall that the residue is under control when considering the GMRES algorithm on a positive definite matrix, and it is bounded as follows:
783 \|r_k\| \leq \left( 1-\frac{\lambda_{\mathrm{min}}^2(1/2(A^T + A))}{ \lambda_{\mathrm{max}}(A^T A)} \right)^{k/2} \|r_0\| .
785 Additionally, when $A$ is a positive real matrix with symmetric part $M$, then the residual norm provided at the $m$-th step of GMRES satisfies:
787 ||r_m|| \leqslant \left(1-\dfrac{\alpha}{\beta}\right)^{\frac{m}{2}} ||r_0|| ,
789 where $\alpha$ and $\beta$ are defined as in Proposition~\ref{prop:saad}, which proves
790 the convergence of GMRES($m$) for all $m$ under such assumptions regarding $A$.
791 These well-known results can be found, \emph{e.g.}, in~\cite{Saad86}.
793 We will now prove by a mathematical induction that, for each $k \in \mathbb{N}^\ast$,
794 $||r_k|| \leqslant \left(1-\dfrac{\alpha}{\beta}\right)^{\frac{mk}{2}} ||r_0||$ when $A$ is positive, and $\|r_k\| \leq \left( 1-\frac{\lambda_{\mathrm{min}}^2(1/2(A^T + A))}{ \lambda_{\mathrm{max}}(A^T A)} \right)^{km/2} \|r_0\|$ when $A$ is positive definite.
796 The base case is obvious, as for $k=1$, the TSIRM algorithm simply consists in applying GMRES($m$) once, leading to a new residual $r_1$ that follows the inductive hypothesis due, to the results recalled above.
798 Suppose now that the claim holds for all $m=1, 2, \hdots, k-1$, that is, $\forall m \in \{1,2,\hdots, k-1\}$, $||r_m|| \leqslant \left(1-\dfrac{\alpha}{\beta}\right)^{\frac{km}{2}} ||r_0||$ in the positive case, and $\|r_k\| \leq \left( 1-\frac{\lambda_{\mathrm{min}}^2(1/2(A^T + A))}{ \lambda_{\mathrm{max}}(A^T A)} \right)^{km/2} \|r_0\|$ in the definite positive one.
799 We will show that the statement holds too for $r_k$. Two situations can occur:
801 \item If $k \not\equiv 0 ~(\textrm{mod}\ m)$, then the TSIRM algorithm consists in executing GMRES once. In that case and by using the inductive hypothesis, we obtain either $||r_k|| \leqslant \left(1-\dfrac{\alpha}{\beta}\right)^{\frac{m}{2}} ||r_{k-1}||\leqslant \left(1-\dfrac{\alpha}{\beta}\right)^{\frac{km}{2}} ||r_0||$ if $A$ is positive, or $\|r_k\| \leqslant \left( 1-\frac{\lambda_{\mathrm{min}}^2(1/2(A^T + A))}{ \lambda_{\mathrm{max}}(A^T A)} \right)^{m/2} \|r_{k-1}\|$ $\leqslant$ $\left( 1-\frac{\lambda_{\mathrm{min}}^2(1/2(A^T + A))}{ \lambda_{\mathrm{max}}(A^T A)} \right)^{km/2} \|r_{0}\|$ in the positive definite case.
802 \item Else, the TSIRM algorithm consists in two stages: a first GMRES($m$) execution leads to a temporary $x_k$ whose residue satisfies:
804 \item $||r_k|| \leqslant \left(1-\dfrac{\alpha}{\beta}\right)^{\frac{m}{2}} ||r_{k-1}||\leqslant \left(1-\dfrac{\alpha}{\beta}\right)^{\frac{km}{2}} ||r_0||$ in the positive case,
805 \item $\|r_k\| \leqslant \left( 1-\frac{\lambda_{\mathrm{min}}^2(1/2(A^T + A))}{ \lambda_{\mathrm{max}}(A^T A)} \right)^{m/2} \|r_{k-1}\|$ $\leqslant$ $\left( 1-\frac{\lambda_{\mathrm{min}}^2(1/2(A^T + A))}{ \lambda_{\mathrm{max}}(A^T A)} \right)^{km/2} \|r_{0}\|$ in the positive definite one,
807 and a least squares resolution.
808 Let $\operatorname{span}(S) = \left \{ {\sum_{i=1}^k \lambda_i v_i \Big| k \in \mathbb{N}, v_i \in S, \lambda _i \in \mathbb{R}} \right \}$ be the linear span of a set of real vectors $S$. So,\\
809 $\min_{\alpha \in \mathbb{R}^s} ||b-R\alpha ||_2 = \min_{\alpha \in \mathbb{R}^s} ||b-AS\alpha ||_2$
812 & = \min_{x \in span\left(S_{k-s+1}, S_{k-s+2}, \hdots, S_{k} \right)} ||b-AS\alpha ||_2\\
813 & = \min_{x \in span\left(x_{k-s+1}, x_{k-s}+2, \hdots, x_{k} \right)} ||b-AS\alpha ||_2\\
814 & \leqslant \min_{x \in span\left( x_{k} \right)} ||b-Ax ||_2\\
815 & \leqslant \min_{\lambda \in \mathbb{R}} ||b-\lambda Ax_{k} ||_2\\
816 & \leqslant ||b-Ax_{k}||_2\\
818 & \leqslant \left(1-\dfrac{\alpha}{\beta}\right)^{\frac{km}{2}} ||r_0||, \textrm{ if $A$ is positive,}\\
819 & \leqslant \left( 1-\frac{\lambda_{\mathrm{min}}^2(1/2(A^T + A))}{ \lambda_{\mathrm{max}}(A^T A)} \right)^{km/2} \|r_{0}\|, \textrm{ if $A$ is}\\
820 & \textrm{positive definite,}
823 which concludes the induction and the proof.
826 %We can remark that, at each iterate, the residue of the TSIRM algorithm is lower
827 %than the one of the GMRES method.
829 %%%*********************************************************
830 %%%*********************************************************
831 \section{Experiments using PETSc}
835 In order to see the behavior of the proposal when considering only one processor, a first
836 comparison with GMRES or FGMRES and the new algorithm detailed previously has been experimented.
837 Matrices that have been used with their characteristics (names, fields, rows, and nonzero coefficients) are detailed in
838 Table~\ref{tab:01}. These latter, which are real-world applications matrices,
840 from the Davis collection, University of
841 Florida~\cite{Dav97}.
845 \begin{tabular}{|c|c|r|r|r|}
847 Matrix name & Field &\# Rows & \# Nonzeros \\\hline \hline
848 crashbasis & Optimization & 160,000 & 1,750,416 \\
849 parabolic\_fem & Comput. fluid dynamics & 525,825 & 2,100,225 \\
850 epb3 & Thermal problem & 84,617 & 463,625 \\
851 atmosmodj & Comput. fluid dynamics & 1,270,432 & 8,814,880 \\
852 bfwa398 & Electromagnetics pb & 398 & 3,678 \\
853 torso3 & 2D/3D problem & 259,156 & 4,429,042 \\
857 \caption{Main characteristics of the sparse matrices chosen from the Davis collection}
861 Chosen parameters are detailed below.
862 %The following parameters have been chosen for our experiments.
864 the restart of GMRES is performed every 30 iterations, we have chosen to stop
865 the GMRES every 30 iterations (\emph{i.e.} $max\_iter_{kryl}=30$). $s$ is set to 8. CGLS is
866 chosen to minimize the least-squares problem with the following parameters:
867 $\epsilon_{ls}=1e-40$ and $max\_iter_{ls}=20$. The external precision is set to
868 $\epsilon_{tsirm}=1e-10$. Those experiments have been performed on a Intel(R)
869 Core(TM) i7-3630QM CPU @ 2.40GHz with the version 3.5.1 of PETSc.
872 In Table~\ref{tab:02}, some experiments comparing the solving of the linear
873 systems obtained with the previous matrices with a GMRES variant and with out 2
874 stage algorithm are given. In the second column, it can be noticed that either
875 GRMES or FGMRES (Flexible GMRES)~\cite{Saad:1993} is used to solve the linear
876 system. According to the matrices, different preconditioner is used. With
877 TSIRM, the same solver and the same preconditionner are used. This Table shows
878 that TSIRM can drastically reduce the number of iterations to reach the
879 convergence when the number of iterations for the normal GMRES is more or less
880 greater than 500. In fact this also depends on tow parameters: the number of
881 iterations to stop GMRES and the number of iterations to perform the
887 \begin{tabular}{|c|c|r|r|r|r|}
890 \multirow{2}{*}{Matrix name} & Solver / & \multicolumn{2}{c|}{GMRES} & \multicolumn{2}{c|}{TSIRM CGLS} \\
892 & precond & Time & \# Iter. & Time & \# Iter. \\\hline \hline
894 crashbasis & gmres / none & 15.65 & 518 & 14.12 & 450 \\
895 parabolic\_fem & gmres / ilu & 1009.94 & 7573 & 401.52 & 2970 \\
896 epb3 & fgmres / sor & 8.67 & 600 & 8.21 & 540 \\
897 atmosmodj & fgmres / sor & 104.23 & 451 & 88.97 & 366 \\
898 bfwa398 & gmres / none & 1.42 & 9612 & 0.28 & 1650 \\
899 torso3 & fgmres / sor & 37.70 & 565 & 34.97 & 510 \\
903 \caption{Comparison of (F)GMRES and TSIRM with (F)GMRES in sequential with some matrices, time is expressed in seconds.}
912 In order to perform larger experiments, we have tested some example applications
913 of PETSc. Those applications are available in the ksp part which is suited for
914 scalable linear equations solvers:
916 \item ex15 is an example which solves in parallel an operator using a finite
917 difference scheme. The diagonal is equal to 4 and 4 extra-diagonals
918 representing the neighbors in each directions are equal to -1. This example is
919 used in many physical phenomena, for example, heat and fluid flow, wave
921 \item ex54 is another example based on 2D problem discretized with quadrilateral
922 finite elements. For this example, the user can define the scaling of material
923 coefficient in embedded circle called $\alpha$.
925 For more technical details on these applications, interested readers are invited
926 to read the codes available in the PETSc sources. Those problems have been
927 chosen because they are scalable with many cores which is not the case of other
928 problems that we have tested.
930 In the following larger experiments are described on two large scale
931 architectures: Curie and Juqeen. Both these architectures are supercomputer
932 composed of 80,640 cores for Curie and 458,752 cores for Juqueen. Those machines
933 are respectively hosted by GENCI in France and Jülich Supercomputing Centre in
934 Germany. They belongs with other similar architectures of the PRACE initiative (
935 Partnership for Advanced Computing in Europe) which aims at proposing high
936 performance supercomputing architecture to enhance research in Europe. The Curie
937 architecture is composed of Intel E5-2680 processors at 2.7 GHz with 2Gb memory
938 by core. The Juqueen architecture is composed of IBM PowerPC A2 at 1.6 GHz with
939 1Gb memory per core. Both those architecture are equiped with a dedicated high
943 In many situations, using preconditioners is essential in order to find the
944 solution of a linear system. There are many preconditioners available in PETSc.
945 For parallel applications all the preconditioners based on matrix factorization
946 are not available. In our experiments, we have tested different kinds of
947 preconditioners, however as it is not the subject of this paper, we will not
948 present results with many preconditioners. In practise, we have chosen to use a
949 multigrid (mg) and successive over-relaxation (sor). For more details on the
950 preconditioner in PETSc please consult~\cite{petsc-web-page}.
956 \begin{tabular}{|r|r|r|r|r|r|r|r|r|}
959 nb. cores & precond & \multicolumn{2}{c|}{FGMRES} & \multicolumn{2}{c|}{TSIRM CGLS} & \multicolumn{2}{c|}{TSIRM LSQR} & best gain \\
961 & & Time & \# Iter. & Time & \# Iter. & Time & \# Iter. & \\\hline \hline
962 2,048 & mg & 403.49 & 18,210 & 73.89 & 3,060 & 77.84 & 3,270 & 5.46 \\
963 2,048 & sor & 745.37 & 57,060 & 87.31 & 6,150 & 104.21 & 7,230 & 8.53 \\
964 4,096 & mg & 562.25 & 25,170 & 97.23 & 3,990 & 89.71 & 3,630 & 6.27 \\
965 4,096 & sor & 912.12 & 70,194 & 145.57 & 9,750 & 168.97 & 10,980 & 6.26 \\
966 8,192 & mg & 917.02 & 40,290 & 148.81 & 5,730 & 143.03 & 5,280 & 6.41 \\
967 8,192 & sor & 1,404.53 & 106,530 & 212.55 & 12,990 & 180.97 & 10,470 & 7.76 \\
968 16,384 & mg & 1,430.56 & 63,930 & 237.17 & 8,310 & 244.26 & 7,950 & 6.03 \\
969 16,384 & sor & 2,852.14 & 216,240 & 418.46 & 21,690 & 505.26 & 23,970 & 6.82 \\
973 \caption{Comparison of FGMRES and TSIRM with FGMRES for example ex15 of PETSc with two preconditioners (mg and sor) with 25,000 components per core on Juqueen (threshold 1e-3, restart=30, s=12), time is expressed in seconds.}
978 Table~\ref{tab:03} shows the execution times and the number of iterations of
979 example ex15 of PETSc on the Juqueen architecture. Different numbers of cores
980 are studied ranging from 2,048 up-to 16,383 with the two preconditioners {\it mg} and {\it sor}. For those experiments, the number of components (or unknowns of the
981 problems) per core is fixed to 25,000, also called weak scaling. This
982 number can seem relatively small. In fact, for some applications that need a lot
983 of memory, the number of components per processor requires sometimes to be
988 In Table~\ref{tab:03}, we can notice that TSIRM is always faster than FGMRES. The last
989 column shows the ratio between FGMRES and the best version of TSIRM according to
990 the minimization procedure: CGLS or LSQR. Even if we have computed the worst
991 case between CGLS and LSQR, it is clear that TSIRM is always faster than
992 FGMRES. For this example, the multigrid preconditioner is faster than SOR. The
993 gain between TSIRM and FGMRES is more or less similar for the two
994 preconditioners. Looking at the number of iterations to reach the convergence,
995 it is obvious that TSIRM allows the reduction of the number of iterations. It
996 should be noticed that for TSIRM, in those experiments, only the iterations of
997 the Krylov solver are taken into account. Iterations of CGLS or LSQR were not
998 recorded but they are time-consuming. In general each $max\_iter_{kryl}*s$ which
999 corresponds to 30*12, there are $max\_iter_{ls}$ which corresponds to 15.
1001 \begin{figure}[htbp]
1003 \includegraphics[width=0.45\textwidth]{nb_iter_sec_ex15_juqueen}
1004 \caption{Number of iterations per second with ex15 and the same parameters than in Table~\ref{tab:03} (weak scaling)}
1009 In Figure~\ref{fig:01}, the number of iterations per second corresponding to
1010 Table~\ref{tab:03} is displayed. It can be noticed that the number of
1011 iterations per second of FMGRES is constant whereas it decreases with TSIRM with
1012 both preconditioners. This can be explained by the fact that when the number of
1013 cores increases the time for the least-squares minimization step also increases but, generally,
1014 when the number of cores increases, the number of iterations to reach the
1015 threshold also increases, and, in that case, TSIRM is more efficient to reduce
1016 the number of iterations. So, the overall benefit of using TSIRM is interesting.
1023 \begin{table*}[htbp]
1025 \begin{tabular}{|r|r|r|r|r|r|r|r|r|}
1028 nb. cores & threshold & \multicolumn{2}{c|}{FGMRES} & \multicolumn{2}{c|}{TSIRM CGLS} & \multicolumn{2}{c|}{TSIRM LSQR} & best gain \\
1030 & & Time & \# Iter. & Time & \# Iter. & Time & \# Iter. & \\\hline \hline
1031 2,048 & 8e-5 & 108.88 & 16,560 & 23.06 & 3,630 & 22.79 & 3,630 & 4.77 \\
1032 2,048 & 6e-5 & 194.01 & 30,270 & 35.50 & 5,430 & 27.74 & 4,350 & 6.99 \\
1033 4,096 & 7e-5 & 160.59 & 22,530 & 35.15 & 5,130 & 29.21 & 4,350 & 5.49 \\
1034 4,096 & 6e-5 & 249.27 & 35,520 & 52.13 & 7,950 & 39.24 & 5,790 & 6.35 \\
1035 8,192 & 6e-5 & 149.54 & 17,280 & 28.68 & 3,810 & 29.05 & 3,990 & 5.21 \\
1036 8,192 & 5e-5 & 785.04 & 109,590 & 76.07 & 10,470 & 69.42 & 9,030 & 11.30 \\
1037 16,384 & 4e-5 & 718.61 & 86,400 & 98.98 & 10,830 & 131.86 & 14,790 & 7.26 \\
1041 \caption{Comparison of FGMRES and TSIRM with FGMRES algorithms for ex54 of Petsc (both with the MG preconditioner) with 25,000 components per core on Curie (restart=30, s=12), time is expressed in seconds.}
1047 In Table~\ref{tab:04}, some experiments with example ex54 on the Curie
1048 architecture are reported. For this application, we fixed $\alpha=0.6$. As it
1049 can be seen in that Table, the size of the problem has a strong influence on the
1050 number of iterations to reach the convergence. That is why we have preferred to
1051 change the threshold. If we set it to $1e-3$ as with the previous application,
1052 only one iteration is necessray to reach the convergence. So Table~\ref{tab:04}
1053 shows the results of differents executions with differents number of cores and
1054 differents thresholds. As with the previous example, we can observe that TSIRM
1055 is faster than FGMRES. The ratio greatly depends on the number of iterations for
1056 FMGRES to reach the threshold. The greater the number of iterations to reach the
1057 convergence is, the better the ratio between our algorithm and FMGRES is. This
1058 experiment is also a weak scaling with approximately $25,000$ components per
1059 core. It can also be observed that the difference between CGLS and LSQR is not
1060 significant. Both can be good but it seems not possible to know in advance which
1061 one will be the best.
1063 Table~\ref{tab:05} show a strong scaling experiment with the exemple ex54 on the
1064 Curie architecture. So in this case, the number of unknownws is fixed to
1065 $204,919,225$ and the number of cores ranges from $512$ to $8192$ with the power
1066 of two. The threshold is fixed to $5e-5$ and only the $mg$ preconditioner has
1067 been tested. Here again we can see that TSIRM is faster that FGMRES. Efficiecy
1068 of each algorithms is reported. It can be noticed that FGMRES is more efficient
1069 than TSIRM except with $8,192$ cores and that its efficiency is greater that one
1070 whereas the efficiency of TSIRM is lower than one. Nevertheless, the ratio of
1071 TSIRM with any version of the least-squares method is always faster. With
1072 $8,192$ cores when the number of iterations is far more important for FGMRES, we
1073 can see that it is only slightly more important for TSIRM.
1075 In Figure~\ref{fig:02} we report the number of iterations per second for
1076 experiments reported in Table~\ref{tab:05}. This Figure highlights that the
1077 number of iterations per seconds is more of less the same for FGMRES and TSIRM
1078 with a little advantage for FGMRES. It can be explained by the fact that, as we
1079 have previously explained, that the iterations of the least-sqaure steps are not
1080 taken into account with TSIRM.
1082 \begin{table*}[htbp]
1084 \begin{tabular}{|r|r|r|r|r|r|r|r|r|r|r|}
1087 nb. cores & \multicolumn{2}{c|}{FGMRES} & \multicolumn{2}{c|}{TSIRM CGLS} & \multicolumn{2}{c|}{TSIRM LSQR} & best gain & \multicolumn{3}{c|}{efficiency} \\
1088 \cline{2-7} \cline{9-11}
1089 & Time & \# Iter. & Time & \# Iter. & Time & \# Iter. & & FGMRES & TS CGLS & TS LSQR\\\hline \hline
1090 512 & 3,969.69 & 33,120 & 709.57 & 5,790 & 622.76 & 5,070 & 6.37 & 1 & 1 & 1 \\
1091 1024 & 1,530.06 & 25,860 & 290.95 & 4,830 & 307.71 & 5,070 & 5.25 & 1.30 & 1.21 & 1.01 \\
1092 2048 & 919.62 & 31,470 & 237.52 & 8,040 & 194.22 & 6,510 & 4.73 & 1.08 & .75 & .80\\
1093 4096 & 405.60 & 28,380 & 111.67 & 7,590 & 91.72 & 6,510 & 4.42 & 1.22 & .79 & .84 \\
1094 8192 & 785.04 & 109,590 & 76.07 & 10,470 & 69.42 & 9,030 & 11.30 & .32 & .58 & .56 \\
1099 \caption{Comparison of FGMRES and TSIRM with FGMRES for ex54 of Petsc (both with the MG preconditioner) with 204,919,225 components on Curie with different number of cores (restart=30, s=12, threshold 5e-5), time is expressed in seconds.}
1104 \begin{figure}[htbp]
1106 \includegraphics[width=0.45\textwidth]{nb_iter_sec_ex54_curie}
1107 \caption{Number of iterations per second with ex54 and the same parameters than in Table~\ref{tab:05} (strong scaling)}
1112 Concerning the experiments some other remarks are interesting.
1114 \item We can tested other examples of PETSc (ex29, ex45, ex49). For all these
1115 examples, we also obtained similar gain between GMRES and TSIRM but those
1116 examples are not scalable with many cores. In general, we had some problems
1117 with more than $4,096$ cores.
1118 \item We have tested many iterative solvers available in PETSc. In fast, it is
1119 possible to use most of them with TSIRM. From our point of view, the condition
1120 to use a solver inside TSIRM is that the solver must have a restart
1121 feature. More precisely, the solver must support to be stoped and restarted
1122 without decrease its converge. That is why with GMRES we stop it when it is
1123 naturraly restarted (i.e. with $m$ the restart parameter). The Conjugate
1124 Gradient (CG) and all its variants do not have ``restarted'' version in PETSc,
1125 so they are not efficient. They will converge with TSIRM but not quickly
1126 because if we compare a normal CG with a CG for which we stop it each 16
1127 iterations for example, the normal CG will be for more efficient. Some
1128 restarted CG or CG variant versions exist and may be interested to study in
1131 %%%*********************************************************
1132 %%%*********************************************************
1136 %%%*********************************************************
1137 %%%*********************************************************
1138 \section{Conclusion}
1140 %The conclusion goes here. this is more of the conclusion
1141 %%%*********************************************************
1142 %%%*********************************************************
1144 A novel two-stage iterative algorithm has been proposed in this article,
1145 in order to accelerate the convergence Krylov iterative methods.
1146 Our TSIRM proposal acts as a merger between Krylov based solvers and
1147 a least-squares minimization step.
1148 The convergence of the method has been proven in some situations, while
1149 experiments up to 16,394 cores have been led to verify that TSIRM runs
1150 5 or 7 times faster than GMRES.
1153 For future work, the authors' intention is to investigate other kinds of
1154 matrices, problems, and inner solvers. The influence of all parameters must be
1155 tested too, while other methods to minimize the residuals must be regarded. The
1156 number of outer iterations to minimize should become adaptative to improve the
1157 overall performances of the proposal. Finally, this solver will be implemented
1158 inside PETSc. This would be very interesting because it would allow us to test
1159 all the non-linear examples and compare our algorithm with the other algorithm
1160 implemented in PETSc.
1163 % conference papers do not normally have an appendix
1167 % use section* for acknowledgement
1168 %%%*********************************************************
1169 %%%*********************************************************
1170 \section*{Acknowledgment}
1171 This paper is partially funded by the Labex ACTION program (contract
1172 ANR-11-LABX-01-01). We acknowledge PRACE for awarding us access to resources
1173 Curie and Juqueen respectively based in France and Germany.
1177 % trigger a \newpage just before the given reference
1178 % number - used to balance the columns on the last page
1179 % adjust value as needed - may need to be readjusted if
1180 % the document is modified later
1181 %\IEEEtriggeratref{8}
1182 % The "triggered" command can be changed if desired:
1183 %\IEEEtriggercmd{\enlargethispage{-5in}}
1185 % references section
1187 % can use a bibliography generated by BibTeX as a .bbl file
1188 % BibTeX documentation can be easily obtained at:
1189 % http://www.ctan.org/tex-archive/biblio/bibtex/contrib/doc/
1190 % The IEEEtran BibTeX style support page is at:
1191 % http://www.michaelshell.org/tex/ieeetran/bibtex/
1192 \bibliographystyle{IEEEtran}
1193 % argument is your BibTeX string definitions and bibliography database(s)
1194 \bibliography{biblio}
1196 % <OR> manually copy in the resultant .bbl file
1197 % set second argument of \begin to the number of references
1198 % (used to reserve space for the reference number labels box)
1199 %% \begin{thebibliography}{1}
1201 %% \bibitem{saad86} Y.~Saad and M.~H.~Schultz, \emph{GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems}, SIAM Journal on Scientific and Statistical Computing, 7(3):856--869, 1986.
1203 %% \bibitem{saad96} Y.~Saad, \emph{Iterative Methods for Sparse Linear Systems}, PWS Publishing, New York, 1996.
1205 %% \bibitem{hestenes52} M.~R.~Hestenes and E.~Stiefel, \emph{Methods of conjugate gradients for solving linear system}, Journal of Research of National Bureau of Standards, B49:409--436, 1952.
1207 %% \bibitem{paige82} C.~C.~Paige and A.~M.~Saunders, \emph{LSQR: An Algorithm for Sparse Linear Equations and Sparse Least Squares}, ACM Trans. Math. Softw. 8(1):43--71, 1982.
1208 %% \end{thebibliography}