This work develops novel rational Krylov methods for updating a large-scale matrix function f(A) when A is subject to low-rank modifications. It extends our previous work in this context on polynomial Krylov methods, for which we present a simplified convergence analysis. For the rational case, our convergence analysis is based on an exactness result that is connected to work by Bernstein and Van Loan on rank-one updates of rational matrix functions. We demonstrate the usefulness of the derived error bounds for guiding the choice of poles in the rational Krylov method for the exponential function and Markov functions. Low-rank updates of the matrix sign function require additional attention; we develop and analyze a combination of our methods with a squaring trick for this purpose. A curious connection between such updates and existing rational Krylov subspace methods for Sylvester matrix equations is pointed out.
Conjugated gradients on the normal equation (CGNE) is a popular method to regularise linear inverse problems. The idea of the method can be summarised as minimising the residuum over a suitable Krylov subspace. It is shown that using the same idea for the shift-and-invert rational Krylov subspace yields an order-optimal regularisation scheme.
The accumulated quadrature weights of Gaussian quadrature formulae constitute bounds on the integral over the intervals between the quadrature nodes. Classical results in this concern date back to works of Chebyshev, Markov and Stieltjes and are referred to as Separation Theorem of Chebyshev-Markov-Stieltjes (CMS Theorem). Similar separation theorems hold true for some classes of rational Gaussian quadrature. The Krylov subspace for a given matrix and initial vector is closely related to orthogonal polynomials associated with the spectral distribution of the initial vector in the eigenbasis of…
We establish an equivalence between two classes of methods for solving fractional diffusion problems, namely, Reduced Basis Methods (RBM) and Rational Krylov Methods (RKM). In particular, we demonstrate that several recently proposed RBMs for fractional diffusion can be interpreted as RKMs. This changed point of view allows us to give convergence proofs for some methods where none were previously available. We also propose a new RKM for fractional diffusion problems with poles chosen using the best rational approximation of the function $x^{-s}$ in the spectral interval of the spatial discreti…
In this paper, we propose a new choice of poles to define reliable rational Krylov methods. These methods are used for approximating function of positive definite matrices. In particular, the fractional power and the fractional resolvent are considered because of their importance in the numerical solution of fractional partial differential equations. The results of the numerical experiments we have carried out on some fractional models confirm that the proposed approach is promising.
We present a class of algorithms based on rational Krylov methods to compute the action of a generalized matrix function on a vector. These algorithms incorporate existing methods based on the Golub-Kahan bidiagonalization as a special case. By exploiting the quasiseparable structure of the projected matrices, we show that the basis vectors can be updated using a short recurrence, which can be seen as a generalization to the rational case of the Golub-Kahan bidiagonalization. We also prove error bounds that relate the error of these methods to uniform rational approximation. The effectiveness …
The second-order cone linear complementarity problem (SOCLCP) is a generalization of the classical linear complementarity problem. It has been known that SOCLCP, with the globally uniquely solvable property, is essentially equivalent to a zero-finding problem in which the associated function bears much similarity to the transfer function in model reduction [{\em SIAM J. Sci. Comput.}, 37 (2015), pp.~A2046--A2075]. In this paper, we propose a new rational Krylov subspace method to solve the zero-finding problem for the symmetric and positive definite SOCLCP. The algorithm consists of two stages…
In this paper we propose a method to compute the solution to the fractional diffusion equation on directed networks, which can be expressed in terms of the graph Laplacian $L$ as a product $f(L^T) \boldsymbol{b}$, where $f$ is a non-analytic function involving fractional powers and $\boldsymbol{b}$ is a given vector. The graph Laplacian is a singular matrix, causing Krylov methods for $f(L^T) \boldsymbol{b}$ to converge more slowly. In order to overcome this difficulty and achieve faster convergence, we use rational Krylov methods applied to a desingularized version of the graph Laplacian, obt…
We consider a class of linear matrix equations involving semi-infinite matrices which have a quasi-Toeplitz structure. These equations arise in different settings, mostly connected with PDEs or the study of Markov chains such as random walks on bidimensional lattices. We present the theory justifying the existence in an appropriate Banach algebra which is computationally treatable, and we propose several methods for their solutions. We show how to adapt the ADI iteration to this particular infinite dimensional setting, and how to construct rational Krylov methods. Convergence theory is discuss…
Rational approximation recently emerged as an efficient numerical tool for the solution of exterior wave propagation problems. Currently, this technique is limited to wave media which are invariant along the main propagation direction. We propose a new model order reduction-based approach for compressing unbounded waveguides with layered inclusions. It is based on the solution of a nonlinear rational least squares problem using the RKFIT method. We show that approximants can be converted into an accurate finite difference representation within a rational Krylov framework. Numerical experiments…
Evaluating the action of a matrix function on a vector, that is $x=f(\mathcal M)v$, is an ubiquitous task in applications. When $\mathcal M$ is large, one usually relies on Krylov projection methods. In this paper, we provide effective choices for the poles of the rational Krylov method for approximating $x$ when $f(z)$ is either Cauchy-Stieltjes or Laplace-Stieltjes (or, which is equivalent, completely monotonic) and $\mathcal M$ is a positive definite matrix. Relying on the same tools used to analyze the generic situation, we then focus on the case $\mathcal M=I \otimes A - B^T \otimes I$, a…
A general framework for oblique projections of nonhermitian matrices onto rational Krylov subspaces is developed. To obtain this framework we revisit the classical rational Krylov subspace algorithm and prove that the projected matrix can be written efficiently as a structured pencil, where the structure can take several forms, such as Hessenberg or inverse Hessenberg. One specific instance of the structures appearing in this framework for oblique projections is a tridiagonal pencil. This is a direct generalization of the classical biorthogonal Krylov subspace method where the projection becom…
We present a unified framework to efficiently approximate solutions to fractional diffusion problems of stationary and parabolic type. After discretization, we can take the point of view that the solution is obtained by a matrix-vector product of the form $f^{\boldsymbolτ}(L)\mathbf{b}$, where $L$ is the discretization matrix of the spatial operator, $\mathbf{b}$ a prescribed vector, and $f^{\boldsymbolτ}$ a parametric function, such as the fractional power or the Mittag-Leffler function. In the abstract framework of Stieltjes and complete Bernstein functions, to which the functions we are int…
Given a limited amount of memory and a target accuracy, we propose and compare several polynomial Krylov methods for the approximation of f(A)b, the action of a Stieltjes matrix function of a large Hermitian matrix on a vector. Using new error bounds and estimates, as well as existing results, we derive predictions of the practical performance of the methods, and rank them accordingly. As by-products, we derive new results on inexact Krylov iterations for matrix functions in order to allow for a fair comparison of rational Krylov methods with polynomial inner solves.
In this work we present a rational Krylov subspace method for solving real large-scale polynomial eigenvalue problems with T-even (that is, symmetric/skew-symmetric) structure. Our method is based on the Even-IRA algorithm. To preserve the structure, a sparse T-even linearization from the class of block minimal bases pencils is applied. Due to this linearization, the Krylov basis vectors can be computed in a cheap way. A rational decomposition is derived so that our method explicitly allows for changes of the shift during the iteration. This leads to a method that is able to compute parts of t…
Block Krylov subspace methods (KSMs) comprise building blocks in many state-of-the-art solvers for large-scale matrix equations as they arise, e.g., from the discretization of partial differential equations. While extended and rational block Krylov subspace methods provide a major reduction in iteration counts over polynomial block KSMs, they also require reliable solvers for the coefficient matrices, and these solvers are often iterative methods themselves. It is not hard to devise scenarios in which the available memory, and consequently the dimension of the Krylov subspace, is limited. In s…
We propose two methods to find a proper shift parameter in the shift-and-invert method for computing matrix exponential matrix-vector products. These methods are useful in the case of matrix exponential action has to be computed for a number of vectors. The first method is based on the zero-order optimization of the mean residual norm for a given number of initial vectors. The second method processes the vectors one-by-one and estimates, for each vector, the derivative of the residual norm as a function of the shift parameter. The estimated derivative value is then used to update the shift val…
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 on…
This work is concerned with approximating matrix functions for banded matrices, hierarchically semiseparable matrices, and related structures. We develop a new divide-and-conquer method based on (rational) Krylov subspace methods for performing low-rank updates of matrix functions. Our convergence analysis of the newly proposed method proceeds by establishing relations to best polynomial and rational approximation. When only the trace or the diagonal of the matrix function is of interest, we demonstrate -- in practice and in theory -- that convergence can be faster. For the special case of a b…
