Krylov iterative methods for the geometric mean of two matrices times a vector

In this work, we are presenting an efficient way to compute the geometric mean of two positive definite matrices times a vector. For this purpose, we are inspecting the application of methods based on Krylov spaces to compute the square root of a matrix. These methods, using only matrix-vector products, are capable of producing a good approximation of the result with a small computational cost.     

Krylov eigenvalue strategy using the FEAST algorithm with inexact system solves

The FEAST eigenvalue algorithm is a subspace iteration algorithm that uses contour integration to obtain the eigenvectors of a matrix for the eigenvalues that are located in any user‐defined region in the complex plane. By computing small numbers of eigenvalues in specific regions of the complex plane, FEAST is able to naturally parallelize the solution of eigenvalue problems by solving for multiple eigenpairs simultaneously. The traditional FEAST algorithm is implemented by directly solving collections of shifted linear systems of equations; in this paper, we describe a variation of the FEAST algorithm that uses iterative Krylov subspace algorithms for solving the shifted linear systems inexactly. We show that this iterative FEAST algorithm (which we call IFEAST) is mathematically equivalent to a block Krylov subspace method for solving eigenvalue problems. By using Krylov subspaces indirectly through solving shifted linear systems, rather than directly using them in projecting the eigenvalue problem, it becomes possible to use IFEAST to solve eigenvalue problems using very large dimension Krylov subspaces without ever having to store a basis for those subspaces. IFEAST thus combines the flexibility and power of Krylov methods, requiring only matrix–vector multiplication for solving eigenvalue problems, with the natural parallelism of the traditional FEAST algorithm. We discuss the relationship between IFEAST and more traditional Krylov methods and provide numerical examples illustrating its behavior.     

On the fast Lanczos method for computation of eigenvalues of Hankel matrices using multiprecision arithmetics

The use of the fast Fourier transform (FFT) accelerates Lanczos tridiagonalisation method for Hankel and Toeplitz matrices by reducing the complexity of matrix–vector multiplication. In multiprecision arithmetics, the FFT has overheads that make it less competitive compared with alternative methods when the accuracy is over 10000 decimal places. We studied two alternative Hankel matrix–vector multiplication methods based on multiprecision number decomposition and recursive Karatsuba‐like multiplication, respectively. The first method was uncompetitive because of huge precision losses, while the second turned out to be five to 14 times faster than FFT in the ranges of matrix sizes up to n = 8192 and working precision of b = 32768 bits we were interested in. We successfully applied our approach to eigenvalues calculations to studies of spectra of matrices that arise in research on Riemann zeta function. The recursive matrix–vector multiplication significantly outperformed both the FFT and the traditional multiplication in these studies. Copyright © 2016 John Wiley & Sons, Ltd.     

Resolvent Krylov subspace approximation to operator functions

We consider the approximation of operator functions in resolvent Krylov subspaces. Besides many other applications, such approximations are currently of high interest for the approximation of φ-functions that arise in the numerical solution of evolution equations by exponential integrators. It is well known that Krylov subspace methods for matrix functions without exponential decay show superlinear convergence behaviour if the number of steps is larger than the norm of the operator. Thus, Krylov approximations may fail to converge for unbounded operators. In this paper, we analyse a rational Krylov subspace method which converges not only for finite element or finite difference approximations to differential operators but even for abstract, unbounded operators whose field of values lies in the left half plane. In contrast to standard Krylov methods, the convergence will be independent of the norm of the discretised operator and thus of the spatial discretisation. We will discuss efficient implementations for finite element discretisations and illustrate our analysis with numerical experiments.     

Computation of matrix functions with deflated restarting

A deflated restarting Krylov subspace method for approximating a function of a matrix times a vector is proposed. In contrast to other Krylov subspace methods, the performance of the method in this paper is better. We further show that the deflating algorithm inherits the superlinear convergence property of its unrestarted counterpart for the entire function and present the results of numerical experiments.     

Preconditioned weighted full orthogonalization method for solving singular linear systems from PageRank problems

The PageRank model, which was first proposed by Google for its web search engine application, has since become a popular computational tool in a wide range of scientific fields, including chemistry, bioinformatics, neuroscience, bibliometrics, social networks, and others. PageRank calculations necessitate the use of fast computational techniques with low algorithmic and memory complexity. In recent years, much attention has been paid to Krylov subspace algorithms for solving difficult PageRank linear systems, such as those with large damping parameters close to one. In this article, we examine the full orthogonalization method (FOM). We present a convergence study of the method that extends and clarifies part of the conclusions reached in Zhang et al. (J Comput Appl Math. 2016; 296:397–409.). Furthermore, we demonstrate that FOM is breakdown free when solving singular PageRank linear systems with index one and we investigate the effect of using weighted inner-products instead of conventional inner-products in the orthonormalization procedure on FOM convergence. Finally, we develop a shifted polynomial preconditioner that takes advantage of the special structure of the PageRank linear system and has a good ability to cluster most of the eigenvalues, making it a good choice for an iterative method like FOM or GMRES. Numerical experiments are presented to support the theoretical findings and to evaluate the performance of the new weighted preconditioned FOM PageRank solver in comparison to other established solvers for this class of problem, including conventional stationary methods, hybrid combinations of stationary and Krylov subspace methods, and multi-step splitting strategies.     

Block Krylov Subspace Methods for Solving Large Sylvester Equations

In the present paper, we propose block Krylov subspace methods for solving the Sylvester matrix equation AX–XB=C. We first consider the case when A is large and B is of small size. We use block Krylov subspace methods such as the block Arnoldi and the block Lanczos algorithms to compute approximations to the solution of the Sylvester matrix equation. When both matrices are large and the right-hand side matrix is of small rank, we will show how to extract low-rank approximations. We give some theoretical results such as perturbation results and bounds of the norm of the error. Numerical experiments will also be given to show the effectiveness of these block methods.     

Computational Krylov‐based methods for large‐scale differential Sylvester matrix problems

In the present paper, we propose Krylov‐based methods for solving large‐scale differential Sylvester matrix equations having a low‐rank constant term. We present two new approaches for solving such differential matrix equations. The first approach is based on the integral expression of the exact solution and a Krylov method for the computation of the exponential of a matrix times a block of vectors. In the second approach, we first project the initial problem onto a block (or extended block) Krylov subspace and get a low‐dimensional differential Sylvester matrix equation. The latter problem is then solved by some integration numerical methods such as the backward differentiation formula or Rosenbrock method, and the obtained solution is used to build the low‐rank approximate solution of the original problem. We give some new theoretical results such as a simple expression of the residual norm and upper bounds for the norm of the error. Some numerical experiments are given in order to compare the two approaches.     

Variants of the groupwise update strategy for short-recurrence Krylov subspace methods

Krylov subspace methods often use short-recurrences for updating approximations and the corresponding residuals. In the bi-conjugate gradient (Bi-CG) type methods, rounding errors arising from the matrix–vector multiplications used in the recursion formulas influence the convergence speed and the maximum attainable accuracy of the approximate solutions. The strategy of a groupwise update has been proposed for improving the convergence of the Bi-CG type methods in finite-precision arithmetic. In the present paper, we analyze the influence of rounding errors on the convergence properties when using alternative recursion formulas, such as those used in the bi-conjugate residual (Bi-CR) method, which are different from those used in the Bi-CG type methods. We also propose variants of a groupwise update strategy for improving the convergence speed and the accuracy of the approximate solutions. Numerical experiments demonstrate the effectiveness of the proposed method.     

Spectral Variants of Krylov Subspace Methods

Krylov iterative methods usually solve an optimization problem, per iteration, to obtain a vector whose components are the step lengths associated with the previous search directions. This vector can be viewed as the solution of a multiparameter optimization problem. In that sense, Krylov methods can be combined with the spectral choice of step length that has recently been developed to accelerate descent methods in optimization. In this work, we discuss different spectral variants of Krylov methods and present encouraging preliminary numerical experiments, with and without preconditioning.     

A Krylov–Schur approach to the truncated SVD

Computing a small number of singular values is required in many practical applications and it is therefore desirable to have efficient and robust methods that can generate such truncated singular value decompositions. A method based on the Lanczos bidiagonalization and the Krylov–Schur method is presented. It is shown that deflation strategies can be easily implemented in this method and possible stopping criteria are discussed. Numerical experiments show the efficiency of the Krylov–Schur method.     

Matrix Krylov subspace methods for linear systems with multiple right-hand sides

In this paper, we first give a result which links any global Krylov method for solving linear systems with several right-hand sides to the corresponding classical Krylov method. Then, we propose a general framework for matrix Krylov subspace methods for linear systems with multiple right-hand sides. Our approach use global projection techniques, it is based on the Global Generalized Hessenberg Process (GGHP) – which use the Frobenius scalar product and construct a basis of a matrix Krylov subspace – and on the use of a Galerkin or a minimizing norm condition. To accelerate the convergence of global methods, we will introduce weighted global methods. In these methods, the GGHP uses a different scalar product at each restart. Experimental results are presented to show the good performances of the weighted global methods. AMS subject classification 65F10     

Rational approximation to trigonometric operators

We consider the approximation of trigonometric operator functions that arise in the numerical solution of wave equations by trigonometric integrators. It is well known that Krylov subspace methods for matrix functions without exponential decay show superlinear convergence behavior if the number of steps is larger than the norm of the operator. Thus, Krylov approximations may fail to converge for unbounded operators. In this paper, we propose and analyze a rational Krylov subspace method which converges not only for finite element or finite difference approximations to differential operators but even for abstract, unbounded operators. In contrast to standard Krylov methods, the convergence will be independent of the norm of the operator and thus of its spatial discretization. We will discuss efficient implementations for finite element discretizations and illustrate our analysis with numerical experiments. AMS subject classification (2000)  65F10, 65L60, 65M60, 65N22     

ON THE BREAKDOWNS OF THE GALERKIN AND LEAST-SQUARES METHODS

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The fast scalar auxiliary variable approach with unconditional energy stability for nonlocal Cahn–Hilliard equation

Comparing with the classical local gradient flow and phase field models, the nonlocal models such as nonlocal Cahn–Hilliard equations equipped with nonlocal diffusion operator can describe more practical phenomena for modeling phase transitions. In this paper, we construct an accurate and efficient scalar auxiliary variable approach for the nonlocal Cahn–Hilliard equation with general nonlinear potential. The first contribution is that we have proved the unconditional energy stability for nonlocal Cahn–Hilliard model and its semi‐discrete schemes carefully and rigorously. Second, what we need to focus on is that the nonlocality of the nonlocal diffusion term will lead the stiffness matrix to be almost full matrix which generates huge computational work and memory requirement. For spatial discretizaion by finite difference method, we find that the discretizaition for nonlocal operator will lead to a block‐Toeplitz–Toeplitz‐block matrix by applying four transformation operators. Based on this special structure, we present a fast procedure to reduce the computational work and memory requirement. Finally, several numerical simulations are demonstrated to verify the accuracy and efficiency of our proposed schemes.     

Adaptive version of Simpler GMRES

In this paper we propose a stable variant of Simpler GMRES. It is based on the adaptive choice of the Krylov subspace basis at a given iteration step using the intermediate residual norm decrease criterion. The new direction vector is chosen as in the original implementation of Simpler GMRES or it is equal to the normalized residual vector as in the GCR method. We show that such an adaptive strategy leads to a well-conditioned basis of the Krylov subspace and we support our theoretical results with illustrative numerical examples.     

Hierarchical Schur complement preconditioner for the stochastic Galerkin finite element methods

Use of the stochastic Galerkin finite element methods leads to large systems of linear equations obtained by the discretization of tensor product solution spaces along their spatial and stochastic dimensions. These systems are typically solved iteratively by a Krylov subspace method. We propose a preconditioner, which takes an advantage of the recursive hierarchy in the structure of the global matrices. In particular, the matrices posses a recursive hierarchical two‐by‐two structure, with one of the submatrices block diagonal. Each of the diagonal blocks in this submatrix is closely related to the deterministic mean‐value problem, and the action of its inverse is in the implementation approximated by inner loops of Krylov iterations. Thus, our hierarchical Schur complement preconditioner combines, on each level in the approximation of the hierarchical structure of the global matrix, the idea of Schur complement with loops for a number of mutually independent inner Krylov iterations, and several matrix–vector multiplications for the off‐diagonal blocks. Neither the global matrix nor the matrix of the preconditioner need to be formed explicitly. The ingredients include only the number of stiffness matrices from the truncated Karhunen–Loève expansion and a good preconditioned for the mean‐value deterministic problem. We provide a condition number bound for a model elliptic problem, and the performance of the method is illustrated by numerical experiments. Copyright © 2013 John Wiley & Sons, Ltd.     

Revisiting compressed sensing: exploiting the efficiency of simplex and sparsification methods

We propose two approaches to solve large-scale compressed sensing problems. The first approach uses the parametric simplex method to recover very sparse signals by taking a small number of simplex pivots, while the second approach reformulates the problem using Kronecker products to achieve faster computation via a sparser problem formulation. In particular, we focus on the computational aspects of these methods in compressed sensing. For the first approach, if the true signal is very sparse and we initialize our solution to be the zero vector, then a customized parametric simplex method usually takes a small number of iterations to converge. Our numerical studies show that this approach is 10 times faster than state-of-the-art methods for recovering very sparse signals. The second approach can be used when the sensing matrix is the Kronecker product of two smaller matrices. We show that the best-known sufficient condition for the Kronecker compressed sensing (KCS) strategy to obtain a perfect recovery is more restrictive than the corresponding condition if using the first approach. However, KCS can be formulated as a linear program with a very sparse constraint matrix, whereas the first approach involves a completely dense constraint matrix. Hence, algorithms that benefit from sparse problem representation, such as interior point methods (IPMs), are expected to have computational advantages for the KCS problem. We numerically demonstrate that KCS combined with IPMs is up to 10 times faster than vanilla IPMs and state-of-the-art methods such as \(\ell _1\_\ell _s\) and Mirror Prox regardless of the sparsity level or problem size.