A polynomial Jacobi-Davidson solver with support for non-monomial bases and deflation

[EN] Large-scale polynomial eigenvalue problems can be solved by Krylov methods operating on an equivalent linear eigenproblem (linearization) of size d center dot n where d is the polynomial degree and n is the problem size, or by projection methods that keep the computation in the n-dimensional space. Jacobi-Davidson belongs to the latter class of methods, and, since it is a preconditioned eigensolver, it may be competitive in cases where explicitly computing a matrix factorization is exceedingly expensive. However, a fully fledged implementation of polynomial Jacobi-Davidson has to consider several issues, including deflation to compute more than one eigenpair, use of non-monomial bases for the case of large degree polynomials, and handling of complex eigenvalues when computing in real arithmetic. We discuss these aspects and present computational results of a parallel implementation in the SLEPc library.This work was supported by Agencia Estatal de Investigación (AEI) under Grant TIN2016-75985-P, which includes European Commission ERDF funds.Campos, C.; Jose E. Roman (2020). A polynomial Jacobi-Davidson solver with support for non-monomial bases and deflation. BIT Numerical Mathematics. 60(2):295-318. https://doi.org/10.1007/s10543-019-00778-zS295318602Bai, Z., Su, Y.: SOAR: a second-order Arnoldi method for the solution of the quadratic eigenvalue problem. SIAM J. Matrix Anal. Appl. 26(3), 640–659 (2005)Balay, S., Abhyankar, S., Adams, M., Brown, J., Brune, P., Buschelman, K., Dalcin, L., Eijkhout, V., Gropp, W., Karpeyev, D., Kaushik, D., Knepley, M., May, D., McInnes, L.C., Mills, R., Munson, T., Rupp, K., Sanan, P., Smith, B., Zampini, S., Zhang, H., Zhang, H.: PETSc users manual. 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Inner-outer Iterative Methods for Eigenvalue Problems - Convergence and Preconditioning

Many methods for computing eigenvalues of a large sparse matrix involve shift-invert transformations which require the solution of a shifted linear system at each step. This thesis deals with shift-invert iterative techniques for solving eigenvalue problems where the arising linear systems are solved inexactly using a second iterative technique. This approach leads to an inner-outer type algorithm. We provide convergence results for the outer iterative eigenvalue computation as well as techniques for efficient inner solves. In particular eigenvalue computations using inexact inverse iteration, the Jacobi-Davidson method without subspace expansion and the shift-invert Arnoldi method as a subspace method are investigated in detail. A general convergence result for inexact inverse iteration for the non-Hermitian generalised eigenvalue problem is given, using only minimal assumptions. This convergence result is obtained in two different ways; on the one hand, we use an equivalence result between inexact inverse iteration applied to the generalised eigenproblem and modified Newton's method; on the other hand, a splitting method is used which generalises the idea of orthogonal decomposition. Both approaches also include an analysis for the convergence theory of a version of inexact Jacobi-Davidson method, where equivalences between Newton's method, inverse iteration and the Jacobi-Davidson method are exploited. To improve the efficiency of the inner iterative solves we introduce a new tuning strategy which can be applied to any standard preconditioner. We give a detailed analysis on this new preconditioning idea and show how the number of iterations for the inner iterative method and hence the total number of iterations can be reduced significantly by the application of this tuning strategy. The analysis of the tuned preconditioner is carried out for both Hermitian and non-Hermitian eigenproblems. We show how the preconditioner can be implemented efficiently and illustrate its performance using various numerical examples. An equivalence result between the preconditioned simplified Jacobi-Davidson method and inexact inverse iteration with the tuned preconditioner is given. Finally, we discuss the shift-invert Arnoldi method both in the standard and restarted fashion. First, existing relaxation strategies for the outer iterative solves are extended to implicitly restarted Arnoldi's method. Second, we apply the idea of tuning the preconditioner to the inner iterative solve. As for inexact inverse iteration the tuned preconditioner for inexact Arnoldi's method is shown to provide significant savings in the number of inner solves. The theory in this thesis is supported by many numerical examples.EThOS - Electronic Theses Online ServiceGBUnited Kingdo

A parallel implementation of Davidson methods for large-scale eigenvalue problems in SLEPc

In the context of large-scale eigenvalue problems, methods of Davidson type such as Jacobi-Davidson can be competitive with respect to other types of algorithms, especially in some particularly difficult situations such as computing interior eigenvalues or when matrix factorization is prohibitive or highly inefficient. However, these types of methods are not generally available in the form of high-quality parallel implementations, especially for the case of non-Hermitian eigenproblems. We present our implementation of various Davidson-type methods in SLEPc, the Scalable Library for Eigenvalue Problem Computations. The solvers incorporate many algorithmic variants for subspace expansion and extraction, and cover a wide range of eigenproblems including standard and generalized, Hermitian and non-Hermitian, with either real or complex arithmetic. We provide performance results on a large battery of test problems.This work was supported by the Spanish Ministerio de Ciencia e Innovacion under project TIN2009-07519. Author's addresses: E. Romero, Institut I3M, Universitat Politecnica de Valencia, Cami de Vera s/n, 46022 Valencia, Spain), and J. E. Roman, Departament de Sistemes Informatics i Computacio, Universitat Politecnica de Valencia, Cami de Vera s/n, 46022 Valencia, Spain; email: [email protected] Alcalde, E.; Román Moltó, JE. (2014). A parallel implementation of Davidson methods for large-scale eigenvalue problems in SLEPc. ACM Transactions on Mathematical Software. 40(2):13:01-13:29. https://doi.org/10.1145/2543696S13:0113:29402P. Arbenz, M. Becka, R. Geus, U. Hetmaniuk, and T. Mengotti. 2006. On a parallel multilevel preconditioned Maxwell eigensolver. Parallel Comput. 32, 2, 157--165.Z. Bai, J. Demmel, J. Dongarra, A. Ruhe, and H. van der Vorst, Eds. 2000. 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Jacobi-Davidson methods for generalized MHD-eigenvalue problems

A Jacobi-Davidson algorithm for computing selected eigenvalues and associated eigenvectors of the generalized eigenvalue problem $Ax = lambda Bx$ is presented. In this paper the emphasis is put on the case where one of the matrices, say the B-matrix, is Hermitian positive definite. The method is an inner-outer iterative scheme, in which the inner iteration process consists of solving linear systems to some accuracy. The factorization of either matrix is avoided. Numerical experiments are presented for problems arising in magnetohydrodynamics (MHD)

Computing subdominant unstable modes of turbulent plasma with a parallel Jacobi-Davidson eigensolver

In the numerical solution of large-scale eigenvalue problems, Davidson-type methods are an increasingly popular alternative to Krylov eigensolvers. The main motivation is to avoid the expensive factorizations that are often needed by Krylov solvers when the problem is generalized or interior eigenvalues are desired. In Davidson-type methods, the factorization is replaced by iterative linear solvers that can be accelerated by a smart preconditioner. Jacobi-Davidson is one of the most effective variants. However, parallel implementations of this method are not widely available, particularly for non-symmetric problems. We present a parallel implementation that has been included in SLEPc, the Scalable Library for Eigenvalue Problem Computations, and test it in the context of a highly scalable plasma turbulence simulation code. We analyze its parallel efficiency and compare it with a Krylov-Schur eigensolver. © 2011 John Wiley and Sons, Ltd..The authors are indebted to Florian Merz for providing us with the test cases and for his useful suggestions. The authors acknowledge the computer resources provided by the Barcelona Supercomputing Center (BSC). This work was supported by the Spanish Ministerio de Ciencia e Innovacion under project TIN2009-07519.Romero Alcalde, E.; Román Moltó, JE. (2011). Computing subdominant unstable modes of turbulent plasma with a parallel Jacobi-Davidson eigensolver. Concurrency and Computation: Practice and Experience. 23:2179-2191. https://doi.org/10.1002/cpe.1740S2179219123Hochstenbach, M. E., & Notay, Y. (2009). Controlling Inner Iterations in the Jacobi–Davidson Method. SIAM Journal on Matrix Analysis and Applications, 31(2), 460-477. doi:10.1137/080732110Heuveline, V., Philippe, B., & Sadkane, M. (1997). Numerical Algorithms, 16(1), 55-75. doi:10.1023/a:1019126827697Arbenz, P., Bečka, M., Geus, R., Hetmaniuk, U., & Mengotti, T. (2006). On a parallel multilevel preconditioned Maxwell eigensolver. Parallel Computing, 32(2), 157-165. doi:10.1016/j.parco.2005.06.005Genseberger, M. (2010). Improving the parallel performance of a domain decomposition preconditioning technique in the Jacobi–Davidson method for large scale eigenvalue problems. Applied Numerical Mathematics, 60(11), 1083-1099. doi:10.1016/j.apnum.2009.07.004Stathopoulos, A., & McCombs, J. R. (2010). PRIMME. ACM Transactions on Mathematical Software, 37(2), 1-30. doi:10.1145/1731022.1731031Baker, C. G., Hetmaniuk, U. L., Lehoucq, R. B., & Thornquist, H. K. (2009). Anasazi software for the numerical solution of large-scale eigenvalue problems. ACM Transactions on Mathematical Software, 36(3), 1-23. doi:10.1145/1527286.1527287Hernandez, V., Roman, J. E., & Vidal, V. (2005). SLEPc. ACM Transactions on Mathematical Software, 31(3), 351-362. doi:10.1145/1089014.1089019Romero, E., Cruz, M. B., Roman, J. E., & Vasconcelos, P. B. (2011). A Parallel Implementation of the Jacobi-Davidson Eigensolver for Unsymmetric Matrices. High Performance Computing for Computational Science – VECPAR 2010, 380-393. doi:10.1007/978-3-642-19328-6_35Romero, E., & Roman, J. E. (2010). A Parallel Implementation of the Jacobi-Davidson Eigensolver and Its Application in a Plasma Turbulence Code. Lecture Notes in Computer Science, 101-112. doi:10.1007/978-3-642-15291-7_11Über ein leichtes Verfahren die in der Theorie der Säcularstörungen vorkommenden Gleichungen numerisch aufzulösen*). (1846). Journal für die reine und angewandte Mathematik (Crelles Journal), 1846(30), 51-94. doi:10.1515/crll.1846.30.51G. Sleijpen, G. L., & Van der Vorst, H. A. (1996). A Jacobi–Davidson Iteration Method for Linear Eigenvalue Problems. SIAM Journal on Matrix Analysis and Applications, 17(2), 401-425. doi:10.1137/s0895479894270427Fokkema, D. R., Sleijpen, G. L. G., & Van der Vorst, H. A. (1998). Jacobi--Davidson Style QR and QZ Algorithms for the Reduction of Matrix Pencils. SIAM Journal on Scientific Computing, 20(1), 94-125. doi:10.1137/s1064827596300073Morgan, R. B. (1991). Computing interior eigenvalues of large matrices. Linear Algebra and its Applications, 154-156, 289-309. doi:10.1016/0024-3795(91)90381-6Paige, C. C., Parlett, B. N., & van der Vorst, H. A. (1995). Approximate solutions and eigenvalue bounds from Krylov subspaces. Numerical Linear Algebra with Applications, 2(2), 115-133. doi:10.1002/nla.1680020205Stathopoulos, A., Saad, Y., & Wu, K. (1998). Dynamic Thick Restarting of the Davidson, and the Implicitly Restarted Arnoldi Methods. SIAM Journal on Scientific Computing, 19(1), 227-245. doi:10.1137/s1064827596304162Sleijpen, G. L. G., Booten, A. G. L., Fokkema, D. R., & van der Vorst, H. A. (1996). Jacobi-davidson type methods for generalized eigenproblems and polynomial eigenproblems. BIT Numerical Mathematics, 36(3), 595-633. doi:10.1007/bf01731936Balay S Buschelman K Eijkhout V Gropp W Kaushik D Knepley M McInnes LC Smith B Zhang H PETSc users manual 2010Hernandez, V., Roman, J. E., & Tomas, A. (2007). Parallel Arnoldi eigensolvers with enhanced scalability via global communications rearrangement. Parallel Computing, 33(7-8), 521-540. doi:10.1016/j.parco.2007.04.004Dannert, T., & Jenko, F. (2005). Gyrokinetic simulation of collisionless trapped-electron mode turbulence. Physics of Plasmas, 12(7), 072309. doi:10.1063/1.1947447Roman, J. E., Kammerer, M., Merz, F., & Jenko, F. (2010). Fast eigenvalue calculations in a massively parallel plasma turbulence code. Parallel Computing, 36(5-6), 339-358. doi:10.1016/j.parco.2009.12.001Merz, F., & Jenko, F. (2010). Nonlinear interplay of TEM and ITG turbulence and its effect on transport. Nuclear Fusion, 50(5), 054005. doi:10.1088/0029-5515/50/5/054005Simoncini, V., & Szyld, D. B. (2002). Flexible Inner-Outer Krylov Subspace Methods. SIAM Journal on Numerical Analysis, 40(6), 2219-2239. doi:10.1137/s0036142902401074Morgan, R. B. (2002). GMRES with Deflated Restarting. SIAM Journal on Scientific Computing, 24(1), 20-37. doi:10.1137/s106482759936465

An SVD-approach to Jacobi-Davidson solution of nonlinear Helmholtz eigenvalue problems

Numerical solution of the Helmholtz equation in an infinite domain often involves restriction of the domain to a bounded computational window where a numerical solution method is applied. On the boundary of the computational window artificial transparent boundary conditions are posed, for example, widely used perfectly matched layers (PMLs) or absorbing boundary conditions (ABCs). Recently proposed transparent-influx boundary conditions (TIBCs) resolve a number of drawbacks typically attributed to PMLs and ABCs, such as introduction of spurious solutions and the inability to have a tight computational window. Unlike the PMLs or ABCs, the TIBCs lead to a nonlinear dependence of the boundary integral operator on the frequency. Thus, a nonlinear Helmholtz eigenvalue problem arises. \ud This paper presents an approach for solving such nonlinear eigenproblems which is based on a truncated singular value decomposition (SVD) polynomial approximation of the nonlinearity and subsequent solution of the obtained approximate polynomial eigenproblem with the Jacobi-Davidson method