Related papers: A Householder-based algorithm for Hessenberg-trian…
Randomized sampling has recently been proven a highly efficient technique for computing approximate factorizations of matrices that have low numerical rank. This paper describes an extension of such techniques to a wider class of matrices…
Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state energies is challenging for classical algorithms due to…
Block encoding is a key ingredient in the recently developed quantum singular value transformation (QSVT) framework, which provides a unifying description for many quantum algorithms. Initially introduced to simplify and optimize resource…
The reduction of a matrix to an upper $J$-Hessenberg form is a crucial step in the $SR$-algorithm (which is a $QR$-like algorithm), structure-preserving, for computing eigenvalues and vectors, for a class of structured matrices. This…
The efficient and accurate QR decomposition for matrices with hierarchical low-rank structures, such as HODLR and hierarchical matrices, has been challenging. Existing structure-exploiting algorithms are prone to numerical instability as…
We introduce an eigenvalue-preserving transformation algorithm from the generalized eigenvalue problem by matrix pencil of the upper and the lower bidiagonal matrices into a standard eigenvalue problem while preserving sparsity, using the…
In Density Functional Theory simulations based on the LAPW method, each self-consistent field cycle comprises dozens of large dense generalized eigenproblems. In contrast to real-space methods, eigenpairs solving for problems at distinct…
The numerical solution of eigenvalue problems is essential in various application areas of scientific and engineering domains. In many problem classes, the practical interest is only a small subset of eigenvalues so it is unnecessary to…
We present two algorithms for constructing orthonormal bases of rational function vectors with respect to a discrete inner product, and discuss how to use them for a rational approximation problem. Building on the pencil-based formulation…
We propose a verified computation method for eigenvalues in a region and the corresponding eigenvectors of generalized Hermitian eigenvalue problems. The proposed method uses complex moments to extract the eigencomponents of interest from a…
One of the most widely used methods for eigenvalue computation is the $QR$ iteration with Wilkinson's shift: here the shift $s$ is the eigenvalue of the bottom $2\times 2$ principal minor closest to the corner entry. It has been a…
Eigenvector continuation is a computational method that finds the extremal eigenvalues and eigenvectors of a Hamiltonian matrix with one or more control parameters. It does this by projection onto a subspace of eigenvectors corresponding to…
Given the $n\times n$ matrix polynomial $P(x)=\sum_{i=0}^kP_i x^i$, we consider the associated polynomial eigenvalue problem. This problem, viewed in terms of computing the roots of the scalar polynomial $\det P(x)$, is treated in…
An algorithm named EigenWave is described to compute eigenvalues and eigenvectors of elliptic boundary value problems. The algorithm, based on the recently developed WaveHoltz scheme, solves a related time-dependent wave equation as part of…
Hessenberg decomposition is the basic tool used in computational linear algebra to approximate the eigenvalues of a matrix. In this article, we generalize Hessenberg decomposition to continuous matrix fields over topological spaces. This…
For a given subspace, the Rayleigh-Ritz method projects the large quadratic eigenvalue problem (QEP) onto it and produces a small sized dense QEP. Similar to the Rayleigh-Ritz method for the linear eigenvalue problem, the Rayleigh-Ritz…
The computation of the ground state (i.e. the eigenvector related to the smallest eigenvalue) is an important task in the simulation of quantum many-body systems. As the dimension of the underlying vector space grows exponentially in the…
The Householder algorithm for the QR factorization of a tall thin n x p full-rank matrix X has the added bonus of producing a matrix M with orthonormal columns that are a basis for the orthocomplement of the column space of X. We give a…
We develop two fast algorithms for Hessenberg reduction of a structured matrix $A = D + UV^H$ where $D$ is a real or unitary $n \times n$ diagonal matrix and $U, V \in\mathbb{C}^{n \times k}$. The proposed algorithm for the real case…
Let $k$ be a field and $n,a,b$ natural numbers. A matrix pencil $P$ is given by $n$ matrices of the same size with coefficients in $k$, say by $(b\times a)$-matrices, or, equivalently, by $n$ linear transformations $\alpha_i\:k^a \to k^b$…