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Matrix diagonalization is almost always involved in computing the density matrix needed in quantum chemistry calculations. In the case of modest matrix sizes ($\lesssim$ 5000), performance of traditional dense diagonalization algorithms on…

Chemical Physics · Physics 2023-06-23 Joshua Finkelstein , Christian F. A. Negre , Jean-Luc Fattebert

Solving linear systems and computing eigenvalues are two fundamental problems in linear algebra. For solving linear systems, many efficient quantum algorithms have been discovered. For computing eigenvalues, currently, we have efficient…

Quantum Physics · Physics 2020-09-22 Changpeng Shao

We consider the approximation of $B^T (A+sI)^{-1} B$ where $A\in\mathbb{R}^{n\times n}$ is large, symmetric positive definite, and has a dense spectrum, and $B\in\mathbb{R}^{n\times p}$, $p\ll n$. Our target application is the computation…

Numerical Analysis · Mathematics 2026-02-13 Jörn Zimmerling , Vladimir Druskin

In this paper, we revisit the generalized block power methods for approximating the eigenvector associated with $\lambda_1 = 1$ of a Markov chain transition matrix. Our analysis of the block power method shows that when $s$ linearly…

Numerical Analysis · Computer Science 2016-10-28 Hao Ji , Seth H. Weinberg , Yaohang Li

We present randUBV, a randomized algorithm for matrix sketching based on the block Lanzcos bidiagonalization process. Given a matrix $\bf{A}$, it produces a low-rank approximation of the form ${\bf UBV}^T$, where $\bf{U}$ and $\bf{V}$ have…

Numerical Analysis · Mathematics 2021-02-09 Eric Hallman

Nesterov's well-known scheme for accelerating gradient descent in convex optimization problems is adapted to accelerating stationary iterative solvers for linear systems. Compared with classical Krylov subspace acceleration methods, the…

Optimization and Control · Mathematics 2021-08-10 Tao Hong , Irad Yavneh

In this paper, a numerical method is proposed to calculate the eigenvalues of the Zakharov-Shabat system based on Chebyshev polynomials. A mapping in the form of tanh(ax) is constructed according to the asymptotic of the potential function…

Mathematical Physics · Physics 2023-02-27 Shikun Cui , Zhen Wang

We present an algorithm that uses block encoding on a quantum computer to exactly construct a Krylov space, which can be used as the basis for the Lanczos method to estimate extremal eigenvalues of Hamiltonians. While the classical Lanczos…

Quantum Physics · Physics 2023-05-24 William Kirby , Mario Motta , Antonio Mezzacapo

In this paper, we investigate diagonal estimation for large or implicit matrices, aiming to develop a novel and efficient stochastic algorithm that incorporates adaptive parameter selection. We explore the influence of different eigenvalue…

Machine Learning · Statistics 2024-10-16 Zongyuan Han , Wenhao Li , Shengxin Zhu

We develop and analyze efficient "coordinate-wise" methods for finding the leading eigenvector, where each step involves only a vector-vector product. We establish global convergence with overall runtime guarantees that are at least as good…

Numerical Analysis · Computer Science 2017-02-28 Jialei Wang , Weiran Wang , Dan Garber , Nathan Srebro

In this paper we derive and analyze two algorithms -- referred to as decentralized power method (DPM) and decentralized Lanczos algorithm (DLA) -- for distributed computation of one (the largest) or multiple eigenvalues of a sample…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-03-29 Federico Penna , Slawomir Stanczak

In this study linear and nonlinear higher order singularly perturbed problems are examined by a numerical approach, the differential quadrature method. Here, the main idea is using Chebyshev polynomials to acquire the weighting coefficient…

Numerical Analysis · Mathematics 2017-05-29 Gülsemay Yıgıt , Mustafa Bayram

We study the optimization of Steklov eigenvalues with respect to a boundary density function $\rho$ on a bounded Lipschitz domain $\Omega \subset \mathbb{R}^N$. We investigate the minimization and maximization of $\lambda_k(\rho)$, the…

Optimization and Control · Mathematics 2026-04-10 Chiu Yen Kao , Seyyed Abbas Mohammadi

The block Lanczos algorithm proposed by Peter Montgomery is an efficient means to tackle the sparse linear algebra problem which arises in the context of the number field sieve factoring algorithm and its predecessors. We present here a…

Cryptography and Security · Computer Science 2016-04-11 Emmanuel Thomé

We propose a new method for computing the eigenvalue decomposition of a dense real normal matrix $A$ through the decomposition of its skew-symmetric part. The method relies on algorithms that are known to be efficiently implemented, such as…

Numerical Analysis · Mathematics 2026-03-31 Simon Mataigne , Kyle A. Gallivan

Perturbation theory is a powerful tool for studying large-scale structure formation in the universe and calculating observables such as the power spectrum or bispectrum. However, beyond linear order, typically this is done by assuming a…

Cosmology and Nongalactic Astrophysics · Physics 2023-08-09 Nicholas Choustikov , Zvonimir Vlah , Anthony Challinor

It is well known that the dominant eigenvalue of a real essentially nonnegative matrix is a convex function of its diagonal entries. This convexity is of practical importance in population biology, graph theory, demography, analytic…

Numerical Analysis · Mathematics 2011-10-31 Liping Zhang , Liqun Qi , Ziyan Luo

We report an efficient program for computing the eigenvalues and symmetry-adapted eigenvectors of very large quaternionic (or Hermitian skew-Hamiltonian) matrices, using which structure-preserving diagonalization of matrices of dimension N…

Chemical Physics · Physics 2017-03-20 Toru Shiozaki

This dissertation explores block decomposable methods for large-scale optimization problems. It focuses on alternating direction method of multipliers (ADMM) schemes and block coordinate descent (BCD) methods. Specifically, it introduces a…

Optimization and Control · Mathematics 2026-01-15 Leandro Farias Maia

We develop a block minimum residual (MINRES) algorithm for symmetric indefinite matrices. This version is built upon the band Lanczos method that generates one basis vector of the block Krylov subspace per iteration rather than a whole…

Numerical Analysis · Mathematics 2014-10-01 Kirk M. Soodhalter