Abstract
The FEAST eigensolver is extended to the computation of the singular triplets of a large matrix A with the singular values in a given interval. The resulting FEAST SVDsolver is subspace iteration applied to an approximate spectral projector of \(A^TA\) corresponding to the desired singular values in a given interval, and constructs approximate left and right singular subspaces corresponding to the desired singular values, onto which A is projected to obtain Ritz approximations. Differently from a commonly used contour integral-based FEAST solver, we propose a robust alternative that constructs approximate spectral projectors by using the Chebyshev–Jackson polynomial series, which are shown to be symmetric positive semi-definite with the eigenvalues in [0, 1]. We prove the pointwise convergence of this series and give compact estimates for pointwise errors of it and the step function that corresponds to the exact spectral projector of interest. We present error bounds for the approximate spectral projector and reliable estimates for the number of desired singular triplets, prove the convergence of the resulting FEAST SVDsolver, and propose practical selection strategies for determining the series degree and the subspace dimension. The solver and results on it are directly applicable or adaptable to the real symmetric and complex Hermitian eigenvalue problem. Numerical experiments illustrate that the FEAST SVDsolver is substantially more efficient than the contour integral-based FEAST SVDsolver, and it is also more robust and stable than the latter.
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References
Avron, H., Toledo, S.: Randomized algorithms for estimating the trace of an implicit symmetric positive semi-definite matrix. J. ACM 58(2), Art. 8,17 (2011). https://doi.org/10.1145/1944345.1944349
Cortinovis, A., Kressner, D.: On randomized trace estimates for indefinite matrices with an application to determinants. Found. Comput. Math. 22(3), 875–903 (2022). https://doi.org/10.1007/s10208-021-09525-9
Davis, T.A., Hu, Y.: The University of Florida sparse matrix collection. ACM Trans. Math. Softw. 38(1), Art. 1, 25 (2011). https://doi.org/10.1145/2049662.2049663
Di Napoli, E., Polizzi, E., Saad, Y.: Efficient estimation of eigenvalue counts in an interval. Numer. Linear Algebra Appl. 23(4), 674–692 (2016). https://doi.org/10.1002/nla.2048
Futamura, Y., Sakurai, T.: z-Pares: Parallel Eigenvalue Solver (2014). https://zpares.cs.tsukuba.ac.jp/
Futamura, Y., Tadano, H., Sakurai, T.: Parallel stochastic estimation method of eigenvalue distribution. JSIAM Lett. 2, 127–130 (2010). https://doi.org/10.14495/jsiaml.2.127
Gavin, B., Polizzi, E.: Krylov eigenvalue strategy using the FEAST algorithm with inexact system solves. Numer. Linear Algebra Appl. 25(5), e2188 (2018). https://doi.org/10.1002/nla.2188
Golub, G.H., Van Loan, C.F.: Matrix Computations, 4th edn. Johns Hopkins Studies in the Mathematical Sciences. Johns Hopkins University Press, Baltimore (2013)
Güttel, S., Polizzi, E., Tang, P.T.P., Viaud, G.: Zolotarev quadrature rules and load balancing for the FEAST eigensolver. SIAM J. Sci. Comput. 37(4), A2100–A2122 (2015). https://doi.org/10.1137/140980090
Ikegami, T., Sakurai, T.: Contour integral eigensolver for non-Hermitian systems: a Rayleigh–Ritz-type approach. Taiwan. J. Math. 14(3A), 825–837 (2010). https://doi.org/10.11650/twjm/1500405869
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(8), 1927–1936 (2010). https://doi.org/10.1016/j.cam.2009.09.029
Imakura, A., Du, L., Sakurai, T.: A block Arnoldi-type contour integral spectral projection method for solving generalized eigenvalue problems. Appl. Math. Lett. 32, 22–27 (2014). https://doi.org/10.1016/j.aml.2014.02.007
Imakura, A., Du, L., Sakurai, T.: Relationships among contour integral-based methods for solving generalized eigenvalue problems. Jpn. J. Ind. Appl. Math. 33(3), 721–750 (2016). https://doi.org/10.1007/s13160-016-0224-x
Jay, L.O., Kim, H., Saad, Y., Chelikowsky, J.R.: Electronic structure calculations for plane-wave codes without diagonalization. Comput. Phys. Commun. 118(1), 21–30 (1999). https://doi.org/10.1016/S0010-4655(98)00192-1
Jia, Z.: Polynomial characterizations of the approximate eigenvectors by the refined Arnoldi method and an implicitly restarted refined Arnoldi algorithm. Linear Algebra Appl. 287(1–3), 191–214 (1999). https://doi.org/10.1016/S0024-3795(98)10197-0
Jia, Z., Niu, D.: An implicitly restarted refined bidiagonalization Lanczos method for computing a partial singular value decomposition. SIAM J. Matrix Anal. Appl. 25(1), 246–265 (2003). https://doi.org/10.1137/S0895479802404192
Jia, Z., Niu, D.: A refined harmonic Lanczos bidiagonalization method and an implicitly restarted algorithm for computing the smallest singular triplets of large matrices. SIAM J. Sci. Comput. 32(2), 714–744 (2010). https://doi.org/10.1137/080733383
Kestyn, J., Polizzi, E., Tang, P.T.P.: FEAST eigensolver for non-Hermitian problems. SIAM J. Sci. Comput. 38(5), S772–S799 (2016). https://doi.org/10.1137/15M1026572
Lehoucq, R.B., Sorensen, D., Yang, C.: ARPACK Users’ Guide: Solution of Large Scale Eigenvalue Problems by Implicitly Restarted Arnoldi Methods. SIAM, Philadephia (1998)
Mason, J.C., Handscomb, D.C.: Chebyshev Polynomials. Chapman & Hall/CRC, Boca Raton (2003)
Parlett, B.N.: The Symmetric Eigenvalue Problem, Classics in Applied Mathematics, vol. 20. SIAM, Philadelphia (1998). https://doi.org/10.1137/1.9781611971163
Polizzi, E.: Density-matrix-based algorithm for solving eigenvalue problems. Phys. Rev. B 79(11), e115112 (2009). https://doi.org/10.1103/PhysRevB.79.115112
Polizzi, E.: FEAST eigenvalue solver v4.0 user guide (2020). https://doi.org/10.48550/arXiv.2002.04807
Rivlin, T.J.: An Introduction to the Approximation of Functions. Dover Books on Advanced Mathematics. Dover, New York (1981)
Robbé, M., Sadkane, M., Spence, A.: Inexact inverse subspace iteration with preconditioning applied to non-Hermitian eigenvalue problems. SIAM J. Matrix Anal. Appl. 31(1), 92–113 (2009). https://doi.org/10.1137/060673795
Roosta-Khorasani, F., Ascher, U.: Improved bounds on sample size for implicit matrix trace estimators. Found. Comput. Math. 15(5), 1187–1212 (2015). https://doi.org/10.1007/s10208-014-9220-1
Saad, Y.: Iterative Methods for Sparse Linear Systems, 2nd edn. SIAM, Philadelphia (2003). https://doi.org/10.1137/1.9780898718003
Saad, Y.: Numerical Methods for Large Eigenvalue Problems, Classics in Applied Mathematics, vol. 66. SIAM, Philadelphia (2011). https://doi.org/10.1137/1.9781611970739
Sakurai, T., Sugiura, H.: A projection method for generalized eigenvalue problems using numerical integration. J. Comput. Appl. Math. 159(1), 119–128 (2003). https://doi.org/10.1016/S0377-0427(03)00565-X
Sakurai, T., Tadano, H.: CIRR: a Rayleigh–Ritz type method with contour integral for generalized eigenvalue problems. Hokkaido Math. J. 36(4), 745–757 (2007). https://doi.org/10.14492/hokmj/1272848031
Sorensen, D.C.: Implicit application of polynomial filters in a \(k\)-step Arnoldi method. SIAM J. Matrix Anal. Appl. 13(1), 357–385 (1992). https://doi.org/10.1137/0613025
Stewart, G.W.: Matrix Algorithms, Vol. II: Eigensystems. SIAM, Philadelphia (2001). https://doi.org/10.1137/1.9780898718058
Tang, P.T.P., Polizzi, E.: FEAST as a subspace iteration eigensolver accelerated by approximate spectral projection. SIAM J. Matrix Anal. Appl. 35(2), 354–390 (2014). https://doi.org/10.1137/13090866X
Yeung, M.C., Lee, L.: A FEAST variant incorporated with a power iteration (2019). https://doi.org/10.48550/arXiv1912.01642
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Jia, Z., Zhang, K. A FEAST SVDsolver Based on Chebyshev–Jackson Series for Computing Partial Singular Triplets of Large Matrices. J Sci Comput 97, 21 (2023). https://doi.org/10.1007/s10915-023-02342-y
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DOI: https://doi.org/10.1007/s10915-023-02342-y
Keywords
- Singular value decomposition
- Chebyshev–Jackson series expansion
- Spectral projector
- Jackson damping factor
- Pointwise convergence
- Subspace iteration
- FEAST SVDsolver
- Convergence rate