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Studying the optoelectronic structure of materials can require the computation of several thousands of the smallest positive eigenpairs of a pseudo-hermitian Hamiltonian. Iterative eigensolvers may be preferred over direct methods for this…

数值分析 · 数学 2026-04-17 Edoardo Di Napoli , Clément Richefort , Xinzhe Wu

We present a novel approach to accelerate iterative methods to solve nonlinear Schr\"odinger eigenvalue problems using neural networks. Nonlinear eigenvector problems are fundamental in quantum mechanics and other fields, yet conventional…

数值分析 · 数学 2025-07-23 Daniel Peterseim , Jan-F. Pietschmann , Jonas Püschel , Kilian Ruess

We present a new algorithm for solving an eigenvalue problem for a real symmetric matrix which is a rank-one modification of a diagonal matrix. The algorithm computes each eigenvalue and all components of the corresponding eigenvector with…

数值分析 · 数学 2015-09-22 Nevena Jakovcevic Stor , Ivan Slapnicar , Jesse L. Barlow

We are interested in solving the Asymmetric Eigenvalue Complementarity Problem (AEiCP) by accelerated Difference-of-Convex (DC) algorithms. Two novel hybrid accelerated DCA: the Hybrid DCA with Line search and Inertial force (HDCA-LI) and…

最优化与控制 · 数学 2023-05-23 Yi-Shuai Niu

Subspace methods are commonly used for finding approximate eigenvalues and singular values of large-scale matrices. Once a subspace is found, the Rayleigh-Ritz method (for symmetric eigenvalue problems) and Petrov-Galerkin projection (for…

数值分析 · 数学 2025-10-07 Irina-Beatrice Haas , Yuji Nakatsukasa

Dense self-supervised learning (SSL) methods showed its effectiveness in enhancing the fine-grained semantic understandings of vision models. However, existing approaches often rely on parametric assumptions or complex post-processing…

计算机视觉与模式识别 · 计算机科学 2025-10-03 Juan Yeo , Ijun Jang , Taesup Kim

We study a method for solving the homogeneous Bethe-Salpeter equation. By introducing a `fictitious' eigenvalue $\lambda$ the homogeneous Bethe-Salpeter equation is interpreted as a linear eigenvalue equation, where the bound state mass is…

高能物理 - 唯象学 · 物理学 2009-10-28 Masayasu Harada , Yuhsuke Yoshida

We present an optimized single-precision implementation of the Sparse Approximate Matrix Multiply (\SpAMM{}) [M. Challacombe and N. Bock, arXiv {\bf 1011.3534} (2010)], a fast algorithm for matrix-matrix multiplication for matrices with…

数值分析 · 计算机科学 2012-09-05 Nicolas Bock , Matt Challacombe

We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B, 76 165106 (2007)] for the electronic structure with the solution of the ladder approximation to the…

In this paper the author introduces a new domain decomposition method for the solution of discretised integral equation eigenvalue problems. The new domain decomposition method is motivated by the so-called automated multi-level…

数值分析 · 数学 2017-12-29 Peter Gerds

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current…

Generalized eigenvalue problems (GEPs) play an important role in the variety of fields including engineering, machine learning and quantum chemistry. Especially, many problems in these fields can be reduced to finding the minimum or maximum…

The first step when solving an infinite-dimensional eigenvalue problem is often to discretize it. We show that one must be extremely careful when discretizing nonlinear eigenvalue problems. Using examples, we show that discretization can:…

数值分析 · 数学 2023-05-04 Matthew J. Colbrook , Alex Townsend

Elliptic partial differential equations must be solved numerically for many problems in numerical relativity, such as initial data for every simulation of merging black holes and neutron stars. Existing elliptic solvers can take multiple…

The aim of this paper is to propose an efficient adaptive finite element method for eigenvalue problems based on the multilevel correction scheme and inverse power method. This method involves solving associated boundary value problems on…

数值分析 · 数学 2022-02-25 Qichen Hong , Hehu Xie , Fei Xu

A new method of solution to the local spin density approximation to the electronic Schr\"{o}dinger equation is presented. The method is based on an efficient, parallel, adaptive multigrid eigenvalue solver. It is shown that adaptivity is…

mtrl-th · 物理学 2009-09-25 E. Bylaska , S. Khon , S. Baden , A. Edelman , R. Kawai , M. E. G. Ong , J. H. Weare

Semidefinite programming (SDP) is widely acknowledged as one of the most effective methods for deriving the tightest lower bounds of the optimal power flow (OPF) problems. In this paper, an enhanced semidefinite relaxation model that…

系统与控制 · 电气工程与系统科学 2024-10-01 Zhaojun Ruan , Libao Shi

Semidefinite programming (SDP) is a central topic in mathematical optimization with extensive studies on its efficient solvers. In this paper, we present a proof-of-principle sublinear-time algorithm for solving SDPs with low-rank…

数据结构与算法 · 计算机科学 2020-08-07 Nai-Hui Chia , Tongyang Li , Han-Hsuan Lin , Chunhao Wang

The Kernel Polynomial Method (KPM) is a well-established scheme in quantum physics and quantum chemistry to determine the eigenvalue density and spectral properties of large sparse matrices. In this work we demonstrate the high optimization…

计算工程、金融与科学 · 计算机科学 2015-07-30 Moritz Kreutzer , Georg Hager , Gerhard Wellein , Andreas Pieper , Andreas Alvermann , Holger Fehske

To study the characteristic features of relativistic bound systems, the Bethe-Salpeter equation (BSE) for two equal mass spin 1/2 particles (like the deuteron) is solved in the cm-frame for a covariant separable interaction kernel. For that…

核理论 · 物理学 2007-05-23 Frieder Kleefeld , Manfred Dillig