Abstract
As we know, polynomial filtering technique is efficient for accelerating convergence of standard eigenvalue problems, which, however, has not appeared for solving generalized eigenvalue problems. In this paper, by integrating the effectiveness and robustness of the Chebyshev polynomial filters, we propose the Chebyshev–Davidson method for computing some extreme eigenvalues and corresponding eigenvectors of generalized matrix pencils. In this method, both matrix factorizations and solving systems of linear equations are all avoided. Convergence analysis indicates that the Chebyshev–Davidson method achieves quadratic convergence locally in an ideal situation. Furthermore, numerical experiments are carried out to demonstrate the convergence properties and to show great superiority and robustness over some state-of-the art iteration methods.
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Notes
Matlab Code available at http://www.math.uu.nl/people/sleijpen/.
Matlab Code available at http://www-math.cudenver.edu/~aknyazev/software/CG/toward/lobpcg.m.
References
Anderson, C.R.: A Rayleigh–Chebyshev procedure for finding the smallest eigenvalues and associated eigenvectors of large sparse Hermitian matrices. J. Comput. Phys. 229, 7477–7487 (2010)
Banerjee, A.S., Lin, L., Hu, W., Yang, C., Pask, J.E.: Chebyshev polynomial filtered subspace iteration in the discontinuous Galerkin method for large-scale electronic structure calculations. J. Chem. Phys. 15, 154101 (2016)
Bekas, C., Kokiopoulou, E., Saad, Y.: Computation of large invariant subspaces using polynomial filtered Lanczos iterations with applications in density functional theory. SIAM J. Matrix Anal. Appl. 30, 397–418 (2008)
Bradbury, W.W., Fletcher, R.: New iterative methods for solution of the eigenproblem. Numer. Math. 9, 259–267 (1996)
Calvetti, D., Reichel, L., Sorensen, D.C.: An implicitly restarted Lanczos method for large symmetric eigenvalue problems. Electron. Trans. Numer. Anal. 2, 1–21 (1994)
Davidson, E.R.: The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices. J. Comput. Phys. 17, 87–94 (1975)
Fang, H.R., Saad, Y.: A filtered Lanczos procedure for extreme and interior eigenvalue problems. SIAM J. Sci. Comput. 34, A2220–A2246 (2012)
Fokkema, D.R., Sleijpen, G.L.G., van der Vorst, H.A.: Jacobi–Davidson style QR and QZ algorithms for the reduction of matrix pencils. SIAM J. Sci. Comput. 20, 94–125 (1998)
Golub, G.H., Ye, Q.: An inverse free preconditioned Krylov subspace method for symmetric generalized eigenvalue problems. SIAM J. Sci. Copmut. 24, 312–334 (2002)
Guttel, S., Polizzi, E., Tang, P.T.P., Viaud, G.: Zolotarev quadrature rules and load balancing for the FEAST eigensolver. SIAM J. Sci. Copmut. 37, A2100–A2122 (2015)
Hestenes, M.R., Karush, W.: A method of gradients for the calculation of the characteristic roots and vectors of a real symmetric matrix. J. Res. Nat. Bur. Stand. 47, 45–61 (1951)
Ikegami, T., Sakurai, T., Nagashima, U.: A filter diagonalization for generalized eigenvalue problems based on the Sakurai–Sugiura projection method. J. Comput. Appl. Math. 233, 1927–1936 (2010)
Imakura, A., Du, L., Sakurai, T.: Error bounds of Rayleigh–Ritz type contour integral-based eigensolver for solving generalized eigenvalue problems. Numer. Algorithms 71, 103–120 (2016)
Knyazev, A.V.: Toward the optimal preconditioned eigensolver: locally optimal block preconditioned conjugate gradient method. SIAM J. Sci. Comput. 23, 517–541 (2001)
Li, R.-P., Xi, Y.-Z., Vecharynski, E., Yang, C., Saad, Y.: A thick-restart Lanczos algorithm with polynomial filtering for Hermitian eigenvalue problems. SIAM J. Sci. Comput. 38, A2512–A2534 (2016)
Li, Y.-Z., Yang, H.-Z.: Spectrum slicing for sparse Hermitian definite matrices based on Zolotarev’s functions. arxiv:1701.08935
Miao, C.-Q.: Filtered Krylov-like sequence method for symmetric eigenvalue problems. Numer. Algorithms 82, 791–807 (2019)
Morgan, R.B.: Generalizations of Davidson’s method for computing eigenvalues of large nonsymmetric matrices. J. Comput. Phys. 101, 287–291 (1992)
Morgan, R.B., Scott, D.S.: Generalizations of Davidson’s method for computing eigenvalues of sparse symmetric matrices. SIAM J. Sci. Stat. Comput. 7, 817–825 (1986)
Morgan, R.B., Scott, D.S.: Preconditioning the Lanczos algorithm for sparse symmetric eigenvalue problems. SIAM J. Sci. Comput. 14, 585–593 (1993)
Nakatsukasa, Y., Freund, R.W.: Computing fundamental matrix decompositions accurately via the matrix sign function in two iterations: the power of Zolotarev’s functions. SIAM Rev. 58, 461–493 (2016)
Parlett, B.N.: The Symmetric Eigenvalue Problem. SIAM, Philadelphia (1998)
Saad, Y.: Chebyshev acceleration techniques for solving nonsymmetric eigenvalue problems. Math. Comput. 42, 567–588 (1984)
Saad, Y.: Numerical Methods for Large Eigenvalue Problems, 2nd edn. SIAM, Philadelphia (2011)
Sadkane, M.: A block Arnoldi–Chebyshev method for computing the leading eigenpairs of large sparse unsymmetric matrices. Numer. Math. 64, 181–193 (1993)
Sakurai, T., Sugiura, H.: A projection method for generalized eigenvalue problems using numerical integration. J. Comput. Appl. Math. 159, 119–128 (2003)
Sleijpen, G.L.G., Booten, A.G.L., Fokkema, D.R., van der Vorst, H.A.: Jacobi–Davidson type methods for generalized eigenproblems and polynomial eigenproblems. BIT Numer. Math. 36, 595–633 (1996)
Sleijpen, G.L.G., van der Vorst, H.A.: A Jacobi–Davidson iteration method for linear eigenvalue problems. SIAM J. Matrix Anal. Appl. 17, 401–425 (1996)
Sorensen, D.C.: Implicit application of polynomial filters in a k-step Arnoldi method. SIAM J. Matrix Anal. Appl. 13, 357–385 (1992)
Tang, P.T.P., Polizzi, E.: FEAST as a subspace iteration eigensolver accelerated by approximate spectral projection. SIAM J. Matrix Anal. Appl. 35, 354–390 (2014)
Vecharynski, E., Yang, C., Pask, J.E.: A projected preconditioned conjugate gradient algorithm for computing many extreme eigenpairs of a Hermitian matrix. J. Comput. Phys. 290, 73–89 (2015)
Xi, Y.-Z., Saad, Y.: Computing partial spectra with least-squares rational filters. SIAM J. Sci. Comput. 38, A3020–A3045 (2016)
Zhou, Y.-K.: A block Chebyshev–Davidson method with inner-outer restart for large eigenvalue problems. J. Comput. Phys. 229, 9188–9200 (2010)
Zhou, Y.-K., Saad, Y.: A Chebyshev–Davidson algorithm for large symmetric eigenproblems. SIAM J. Matrix Anal. Appl. 29, 954–971 (2007)
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The author is very much indebted to the referees for their constructive comments and valuable suggestions, which greatly improved the original manuscript of this paper.
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Miao, CQ. On Chebyshev–Davidson Method for Symmetric Generalized Eigenvalue Problems. J Sci Comput 85, 53 (2020). https://doi.org/10.1007/s10915-020-01360-4
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DOI: https://doi.org/10.1007/s10915-020-01360-4