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An efficient and robust linear scaling method is presented for large scale {\it ab initio} electronic structure calculations of a wide variety of materials including metals. The detailed short range and the effective long range…

Other Condensed Matter · Physics 2016-08-31 Taisuke Ozaki

We propose a continuous approach to computing the pseudospectra of linear operators with compact or compact-plus-scalar resolvent, following a 'solve-then-discretize' strategy. Instead of taking a finite section approach or using a…

Numerical Analysis · Mathematics 2025-08-27 Kuan Deng , Xiaolin Liu , Kuan Xu

The overlap Dirac operator at nonzero quark chemical potential involves the computation of the sign function of a non-Hermitian matrix. In this talk we present an iterative method, first proposed by us in Ref. [1], which allows for an…

High Energy Physics - Lattice · Physics 2009-01-14 Jacques Bloch , Andreas Frommer , Bruno Lang , Tilo Wettig

This work presents a new algorithm to compute the matrix exponential within a given tolerance. Combined with the scaling and squaring procedure, the algorithm incorporates Taylor, partitioned and classical Pad\'e methods shown to be…

Numerical Analysis · Mathematics 2024-04-22 Sergio Blanes , Nikita Kopylov , Muaz Seydaoğlu

We give a novel spectral approximation algorithm for the balanced separator problem that, given a graph G, a constant balance b \in (0,1/2], and a parameter \gamma, either finds an \Omega(b)-balanced cut of conductance O(\sqrt(\gamma)) in…

Data Structures and Algorithms · Computer Science 2011-11-08 Lorenzo Orecchia , Sushant Sachdeva , Nisheeth K. Vishnoi

We propose a new method for the approximate solution of the Lyapunov equation with rank-$1$ right-hand side, which is based on extended rational Krylov subspace approximation with adaptively computed shifts. The shift selection is obtained…

Numerical Analysis · Mathematics 2015-05-27 D. A. Kolesnikov , I. V. Oseledets

We study random submatrices of a large matrix A. We show how to approximately compute A from its random submatrix of the smallest possible size O(r log r) with a small error in the spectral norm, where r = ||A||_F^2 / ||A||_2^2 is the…

Functional Analysis · Mathematics 2016-12-23 Mark Rudelson , Roman Vershynin

In this paper, we develop algorithms for computing the recurrence coefficients corresponding to multiple orthogonal polynomials on the step-line. We reformulate the problem as an inverse eigenvalue problem, which can be solved using…

Numerical Analysis · Mathematics 2026-03-05 Amin Faghih , Michele Rinelli , Marc Van Barel , Raf Vandebril , Robbe Vermeiren

We consider a Krylov subspace approximation method for the symmetric differential Riccati equation $\dot{X} = AX + XA^T + Q - XSX$, $X(0)=X_0$. The method we consider is based on projecting the large scale equation onto a Krylov subspace…

Numerical Analysis · Mathematics 2021-06-24 Antti Koskela , Hermann Mena

The low rank approximation of matrices is a crucial component in many data mining applications today. A competitive algorithm for this class of problems is the randomized block Lanczos algorithm - an amalgamation of the traditional block…

Numerical Analysis · Mathematics 2018-08-21 Qiaochu Yuan , Ming Gu , Bo Li

Sparse matrices have recently played a significant and impactful role in scientific computing, including artificial intelligence-related fields. According to historical studies on sparse matrix--vector multiplication (SpMV), Krylov subspace…

Numerical Analysis · Mathematics 2024-12-24 Tomonori Kouya

In this paper, we develop efficient and accurate evaluation for the Lyapunov operator function $\varphi_l(\mathcal{L}_A)[Q],$ where $\varphi_l(\cdot)$ is the function related to the exponential, $\mathcal{L}_A$ is a Lyapunov operator and…

Numerical Analysis · Mathematics 2022-04-28 Dongping Li , Yue Zhang , Xiuying Zhang

We study Krylov complexity in BMN Plane Wave Matrix Model at large mass deformation. We consider various consistent reductions of the matrix model that allow us to perform a Hamiltonian analysis which leads to different notions of the…

High Energy Physics - Theory · Physics 2026-05-26 Dibakar Roychowdhury

We propose a time-exact Krylov-subspace-based method for solving linear ODE (ordinary differential equation) systems of the form $y'=-Ay + g(t)$, where $y(t)$ is the unknown function. The method consists of two stages. The first stage is an…

Numerical Analysis · Mathematics 2011-09-26 Mikhail A. Botchev

In this paper we develop algorithms for approximating matrix multiplication with respect to the spectral norm. Let A\in{\RR^{n\times m}} and B\in\RR^{n \times p} be two matrices and \eps>0. We approximate the product A^\top B using two…

Data Structures and Algorithms · Computer Science 2010-10-28 Avner Magen , Anastasios Zouzias

It is well known that iterates of quasi-compact operators converge towards a spectral projection, whereas the explicit construction of the limiting operator is in general hard to obtain. Here, we show a simple method to explicitly construct…

Functional Analysis · Mathematics 2017-06-05 Johannes Nagler

Nowadays, many fields of study are have to deal with large and sparse data matrixes, but the most important issue is finding the inverse of these matrixes. Thankfully, Krylov subspace methods can be used in solving these types of problem.…

Optimization and Control · Mathematics 2018-11-26 Shitao Fan

Block projections have been used, in [Eberly et al. 2006], to obtain an efficient algorithm to find solutions for sparse systems of linear equations. A bound of softO(n^(2.5)) machine operations is obtained assuming that the input matrix…

Symbolic Computation · Computer Science 2025-10-20 Wayne Eberly , Mark Giesbrecht , Pascal Giorgi , Arne Storjohann , Gilles Villard

The randomly pivoted partial Cholesky algorithm (RPCholesky) computes a factorized rank-k approximation of an N x N positive-semidefinite (psd) matrix. RPCholesky requires only (k + 1) N entry evaluations and O(k^2 N) additional arithmetic…

Numerical Analysis · Mathematics 2024-10-23 Yifan Chen , Ethan N. Epperly , Joel A. Tropp , Robert J. Webber

Low-rank Krylov methods are one of the few options available in the literature to address the numerical solution of large-scale general linear matrix equations. These routines amount to well-known Krylov schemes that have been equipped with…

Numerical Analysis · Mathematics 2020-01-28 Davide Palitta , Patrick Kürschner