Abstract
The need to compute matrix functions of the form f(A)v, where \(A\in {\mathbb {R}}^{N\times N}\) is a large symmetric matrix, f is a function such that f(A) is well defined, and v≠ 0 is a vector, arises in many applications. This paper is concerned with the situation when A is so large that the evaluation of f(A) is prohibitively expensive. Then, an approximation of f(A)v often is computed by applying a few, say 1 ≤ n ≪ N, steps of the symmetric Lanczos process to A with initial vector v to determine a symmetric tridiagonal matrix \(T_{n}\in {\mathbb {R}}^{n\times n}\) and a matrix \(V_{n}\in {\mathbb {R}}^{N\times n}\), whose orthonormal columns span a Krylov subspace. The expression Vnf(Tn)e1∥v∥ furnishes an approximation of f(A)v. The evaluation of f(Tn) is inexpensive, because the matrix Tn is small. It is important to be able to estimate the error in the computed approximation. This paper describes a novel approach that is based on a technique proposed by Spalević for estimating the error in Gauss quadrature rules.
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References
Ammar, G. S., Calvetti, D., Reichel, L.: Computation of Gauss–Kronrod quadrature rules with non-positive weights. Electron Trans. Numer. Anal. 9, 26–38 (1999)
Beckermann, B., Reichel, L.: Error estimation and evaluation of matrix functions via the Faber transform. SIAM J. Numer. Anal. 47, 3849–3883 (2009)
Benzi, M., Boito, P.: Matrix functions in network analysis. GAMM Mitteilungen, 43, Art. e202000012 (2020)
Benzi, M., Klymko, C.: Total communicability as a centrality measure. J. Complex Networks 1, 1–26 (2013)
Calvetti, D., Golub, G.H., Gragg, W.B., Reichel, L.: Computation of Gauss–Kronrod quadrature rules. Math. Comp. 69, 1035–1052 (2000)
Calvetti, D., Reichel, L.: Lanczos-based exponential filtering for discrete ill-posed problems. Numer. Algorithms 29, 45–65 (2002)
Clenshaw, C.W., Curtis, A.R.: A method for numerical integration on an automatic computer. Numer. Math. 2, 197–205 (1960)
Djukić, D. LJ, Reichel, L., Spalević, MM: Truncated generalized averaged Gauss quadrature rules. J. Comput. Appl. Math. 308, 408–418 (2016)
Djukić, D.Lj., Reichel, L., Spalević, M.M., Tomanović, J.D.: Internality of generalized averaged Gaussian quadratures and their truncated variants with Bernstein–Szegő weights. Electron. Trans. Numer. Anal. 45, 405–419 (2016)
Djukić, D.Lj., Reichel, L., Spalević, M.M., Tomanović, J.D.: Internality of generalized averaged Gaussian quadrature rules and truncated variants for modified Chebyshev measures of the kind. J. Comput. Appl. Math. 345, 70–85 (2019)
Druskin, V.L., Knizhnerman, L.A.: Two polynomial methods for the computation of functions of symmetric matrices. USSR Comput. Math. Math. Phys. 29, 112–121 (1989)
Druskin, V., Knizhnerman, L., Zaslavsky, M.: Solution of large scale evolutionary problems using rational Krylov subspaces with optimized shifts. SIAM J. Sci. Comput. 31, 3760–3780 (2009)
Estrada, E.: The Structure of Complex Networks: Theory and Applications. Oxford University Press, Oxford (2012)
Estrada, E., Higham, D.J.: Network properties revealed through matrix functions. SIAM Rev. 52, 696–714 (2010)
Eshghi, N., Mach, T., Reichel, L.: New matrix function approximations and quadrature rules based on the Arnoldi process. J. Comput. Appl. Math. 391, Art. 113442 (2021)
Eshghi, N., Reichel, L., Spalević, M.M.: Enhanced matrix function approximation. Electron. Trans. Numer. Anal. 47, 197–205 (2017)
Frommer, A.: Monotone convergence of the Lanczos approximations to matrix functions of Hermitian matrices. Electron. Trans. Numer. Anal. 35, 118–128 (2009)
Frommer, A., Schweitzer, M.: Error bounds and estimates for Krylov subspace approximations of Stieltjes matrix functions. BIT Numer. Math. 56, 865–892 (2016)
Gautschi, W., Notaris, S.E.: Stieltjes polynomials and related quadrature formulae for a class of weight functions. Math. Comp. 65, 1257–1268 (1996)
Golub, G.H., Meurant, G.: Matrices, moments and quadrature II: How to compute the norm of the error in iterative methods. BIT Numer. Math. 37, 687–705 (1997)
Golub, G.H., Meurant, G.: Matrices, Moments and Quadrature with Applications. Princeton University Press, Princeton (2010)
Golub, G.H., Van Loan, C.F.: Matrix Computations, 4th edn. Johns Hopkins University Press, Baltimore (2013)
Higham, N.J.: Functions of Matrices. SIAM, Philadelphia (2008)
Hochbruck, M., Lubich, C.: On Krylov subspace approximations to the matrix exponential operator. SIAM J. Numer. Anal. 34, 1911–1925 (1997)
Laurie, D.P.: Calculation of Gauss–Kronrod quadrature rules. Math. Comp. 66, 1133–1145 (1997)
Meurant, G.: Numerical experiments in computing bounds for the norm of the error in the preconditioned conjugate gradient algorithm. Numer. Algorithms 22, 353–365 (1999)
Newman, M.E.J.: Networks: an Introduction. Oxford University Press , Oxford (2010)
Notaris, S.E.: Gauss–kronrod quadrature formulae – a survey of fifty years of research. Electron. Trans. Numer. Anal. 45, 371–404 (2016)
Reichel, L., Spalević, M.M., Tang, T.: Generalized averaged Gauss quadrature rules for the approximation of matrix functionals. BIT Numer. Math. 56, 1045–1067 (2016)
Saad, Y.: Analysis of some Krylov subspace approximations to the matrix exponential operator. SIAM J. Numer. Anal. 29, 209–228 (1992)
Saad, Y.: Iterative Methods for Sparse Linear Systems, 2nd edn. SIAM, Philadelphia (2003)
Spalević, M.M.: On generalized averaged Gaussian formulas. Math. Comp. 76, 1483–1492 (2007)
Spalević, M.M.: A note on generalized averaged Gaussian formulas. Numer. Algorithms 46, 253–264 (2007)
Spalević, M.M.: On generalized averaged Gaussian formulas, II. Math. Comp. 86, 1877–1885 (2017)
Sun, S., Ling, L., Zhang, N., Li, G., Chen, R.: Topological structure analysis of the protein-protein interaction network in budding yeast. Nucleic Acids Res. 31, 2443–2450 (2003)
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The authors would like to thank the referees for comments that lead to improvements of the presentation. Research by L.R. was supported in part by NSF grant DMS-1720259.
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Communicated by: Valeria Simoncini
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Eshghi, N., Reichel, L. Estimating the error in matrix function approximations. Adv Comput Math 47, 57 (2021). https://doi.org/10.1007/s10444-021-09882-7
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DOI: https://doi.org/10.1007/s10444-021-09882-7