The global extended-rational Arnoldi method for matrix function approximation

Abstract

The numerical computation of matrix functions such as $f(A)V$, where $A$ is an $n\times n$ large and sparse square matrix, $V$ is an $n \times p$ block with $p\ll n$ and $f$ is a nonlinear matrix function, arises in various applications such as network analysis ($f(t)=exp(t)$ or $f(t)=t^3)$, machine learning $(f(t)=log(t))$, theory of quantum chromodynamics $(f(t)=t^{1/2})$, electronic structure computation, and others. In this work, we propose the use of global extended-rational Arnoldi method for computing approximations of such expressions. The derived method projects the initial problem onto an global extended-rational Krylov subspace $\mathcal{RK}^{e}_m(A,V)=\text{span}(\{\prod\limits_{i=1}^m(A-s_iI_n)^{-1}V,\ldots,(A-s_1I_n)^{-1}V,V$ $,AV, \ldots,A^{m-1}V\})$ of a low dimension. An adaptive procedure for the selection of shift parameters $\{s_1,\ldots,s_m\}$ is given. The proposed method is also applied to solve parameter dependent systems. Numerical examples are presented to show the performance of the global extended-rational Arnoldi for these problems.