On Computing Inverse Entries of a Sparse Matrix in an Out-of-Core Environment

The inverse of an irreducible sparse matrix is structurally full, so that it is impractical to think of computing or storing it. However, there are several applications where a subset of the entries of the inverse is required. Given a factorization of the sparse matrix held in out-of-core storage, we show how to compute such a subset e ciently, by accessing only parts of the factors. When there are many inverse entries to compute, we need to guarantee that the overall computation scheme has reasonable memory requirements, while minimizing the cost of loading the factors. This leads to a partitioning problem that we prove is NP-complete. We also show that we cannot get a close approximation to the optimal solution in polynomial time. We thus need to develop heuristic algorithms, and we propose: (i) a lower bound on the cost of an optimum solution; (ii) an exact algorithm for a particular case; (iii) two other heuristics for a more general case; and (iv) hypergraph partitioning models for the most general setting. We illustrate the performance of our algorithms in practice using the MUMPS software package on a set of real-life problems as well as some standard test matrices. We show that our techniques can improve the execution time by a factor of 50. Key words. Sparse matrices, direct methods for linear systems and matrix inversion, multifrontal method, graphs and hypergraphs.

[1]  J. Navarro-Pedreño Numerical Methods for Least Squares Problems , 1996 .

[2]  Yousef Saad,et al.  A Probing Method for Computing the Diagonal of the Matrix Inverse ∗ , 2010 .

[3]  Bora Uçar,et al.  Encapsulating Multiple Communication-Cost Metrics in Partitioning Sparse Rectangular Matrices for Parallel Matrix-Vector Multiplies , 2004, SIAM J. Sci. Comput..

[4]  Patrick Amestoy,et al.  A Fully Asynchronous Multifrontal Solver Using Distributed Dynamic Scheduling , 2001, SIAM J. Matrix Anal. Appl..

[5]  Tzvetomila Slavova,et al.  Parallel triangular solution in the out-of-core multifrontal approach for solving large sparse linear systems. (Résolution triangulaire de systèmes linéaires creux de grande taille dans un contexte parallèle multifrontal et hors-mémoire) , 2009 .

[6]  Joseph W. H. Liu The role of elimination trees in sparse factorization , 1990 .

[7]  Bora Uçar,et al.  Revisiting Hypergraph Models for Sparse Matrix Partitioning , 2007, SIAM Rev..

[8]  Al Geist,et al.  Task scheduling for parallel sparse Cholesky factorization , 1990, International Journal of Parallel Programming.

[9]  พงศ์ศักดิ์ บินสมประสงค์,et al.  FORMATION OF A SPARSE BUS IMPEDANCE MATRIX AND ITS APPLICATION TO SHORT CIRCUIT STUDY , 1980 .

[10]  Cheng-Kok Koh,et al.  A scalable distributed method for quantum-scale device simulation , 2007 .

[11]  Joseph W. H. Liu,et al.  Elimination Structures for Unsymmetric Sparse $LU$ Factors , 1993, SIAM J. Matrix Anal. Appl..

[12]  Gary L. Miller,et al.  Geometric mesh partitioning: implementation and experiments , 1995, Proceedings of 9th International Parallel Processing Symposium.

[13]  C. W. Gear,et al.  Sparsity structure and Gaussian elimination , 1988, SGNM.

[14]  David S. Johnson,et al.  Computers and Intractability: A Guide to the Theory of NP-Completeness , 1978 .

[15]  W. F. Tinney,et al.  On computing certain elements of the inverse of a sparse matrix , 1975, Commun. ACM.

[16]  Ümit V. Çatalyürek,et al.  Hypergraph-Partitioning-Based Decomposition for Parallel Sparse-Matrix Vector Multiplication , 1999, IEEE Trans. Parallel Distributed Syst..

[17]  R. Terrier,et al.  INTEGRAL SPI Observation of the Galactic Central Radian: Contribution of Discrete Sources and Implication for the Diffuse Emission* , 2005 .

[18]  Patrick Amestoy,et al.  Analysis of the solution phase of a parallel multifrontal approach , 2010, Parallel Comput..

[19]  Ümit V. Çatalyürek,et al.  Permuting Sparse Rectangular Matrices into Block-Diagonal Form , 2004, SIAM J. Sci. Comput..

[20]  E. Weinan,et al.  Fast algorithm for extracting the diagonal of the inverse matrix with application to the electronic structure analysis of metallic systems , 2009 .

[21]  H. Niessner,et al.  On computing the inverse of a sparse matrix , 1983 .

[22]  TIMOTHY A. DAVISyTechnical,et al.  Computing the Sparse Inverse Subset: an Inverse Multifrontal Approach , 1995 .

[23]  Emmanuel Agullo,et al.  On the Out-Of-Core Factorization of Large Sparse Matrices. (Méthodes directes hors-mémoire (out-of-core) pour la résolution de systèmes linéaires creux de grande taille) , 2008 .

[24]  Patrick Amestoy,et al.  Hybrid scheduling for the parallel solution of linear systems , 2006, Parallel Comput..

[25]  W. Fichtner,et al.  Atomistic simulation of nanowires in the sp3d5s* tight-binding formalism: From boundary conditions to strain calculations , 2006 .

[26]  Thomas Lengauer,et al.  Combinatorial algorithms for integrated circuit layout , 1990, Applicable theory in computer science.