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Reduced density matrix functional theory (RDMFT) calculations are usually implemented in a decoupled manner, where the orbital and occupation optimizations are repeated alternately. Typically, orbital updates are performed using the unitary…

化学物理 · 物理学 2024-09-04 Yi-Fan Yao , Neil Qiang Su

This technical note reviews sate-of-the-art algorithms for linear approximation of high-dimensional dynamical systems using low-rank dynamic mode decomposition (DMD). While repeating several parts of our article "low-rank dynamic mode…

机器学习 · 统计学 2021-08-23 Patrick Heas , Cedric Herzet

Dynamic Mode Decomposition (DMD) has emerged as a powerful tool for analyzing the dynamics of non-linear systems from experimental datasets. Recently, several attempts have extended DMD to the context of low-rank approximations. This…

机器学习 · 统计学 2018-05-18 Patrick Héas , Cédric Herzet

We introduce polynomial couplings, a generalization of probabilistic couplings, to develop an algorithm for the computation of equivalence relations which can be interpreted as a lifting of probabilistic bisimulation to polynomial…

计算机科学中的逻辑 · 计算机科学 2021-04-28 Giorgio Bacci , Giovanni Bacci , Kim G. Larsen , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

We describe a neural-based method for generating exact or approximate solutions to differential equations in the form of mathematical expressions. Unlike other neural methods, our system returns symbolic expressions that can be interpreted…

机器学习 · 计算机科学 2020-11-16 Maysum Panju , Kourosh Parand , Ali Ghodsi

This paper deals with speeding up the convergence of a class of two-step iterative methods for solving linear systems of equations. To implement the acceleration technique, the residual norm associated with computed approximations for each…

数值分析 · 数学 2024-04-24 Fatemeh P. A. Beik , Michele Benzi , Mehdi Najafi-Kalyani

A parallel direct solution approach based on domain decomposition method (DDM) and directed acyclic graph (DAG) scheduling is outlined. Computations are represented as a sequence of small tasks that operate on domains of DDM or dense matrix…

分布式、并行与集群计算 · 计算机科学 2020-02-13 Javad Moshfegh , Dimitrios G. Makris , Marinos N. Vouvakis

We propose a distributed algorithm, named Distributed Alternating Direction Method of Multipliers (D-ADMM), for solving separable optimization problems in networks of interconnected nodes or agents. In a separable optimization problem there…

最优化与控制 · 数学 2013-04-26 João F. C. Mota , João M. F. Xavier , Pedro M. Q. Aguiar , Markus Püschel

We propose a numerical integrator for determining low-rank approximations to solutions of large-scale matrix differential equations. The considered differential equations are semilinear and stiff. Our method consists of first splitting the…

数值分析 · 数学 2019-06-03 Alexander Ostermann , Chiara Piazzola , Hanna Walach

The alternating direction method of multipliers (ADM or ADMM) breaks a complex optimization problem into much simpler subproblems. The ADM algorithms are typically short and easy to implement yet exhibit (nearly) state-of-the-art…

最优化与控制 · 数学 2021-02-02 Ming Yan , Wotao Yin

The rectangular multiparameter eigenvalue problem (RMEP) involves rectangular coefficient matrices (usually with more rows than columns) and may potentially have no solution in its original form. A minimal perturbation framework is proposed…

数值分析 · 数学 2025-08-11 Shanheng Han , Lei-Hong Zhang , Ren-Cang Li

In this paper we investigate the use of Richardson extrapolation to estimate the convergence rates for numerical solutions to advection problems involving discontinuities. We use modified equation analysis to describe the expectation of the…

数值分析 · 数学 2013-02-05 J. W. Banks , T. D. Aslam

We study tensor completion (TC) through the lens of low-rank tensor decomposition (TD). Many TD algorithms use fast alternating minimization methods to solve highly structured linear regression problems at each step (e.g., for CP, Tucker,…

数据结构与算法 · 计算机科学 2025-08-13 Mehrdad Ghadiri , Matthew Fahrbach , Yunbum Kook , Ali Jadbabaie

Numerical solving differential equations with fractional derivatives requires elimination of the singularity which is inherent in the standard definition of fractional derivatives. The method of integration by parts to eliminate this…

数值分析 · 数学 2022-01-26 Pavel B. Dubovski , Jeffrey A. Slepoi

Correspondence problems are often modelled as quadratic optimization problems over permutations. Common scalable methods for approximating solutions of these NP-hard problems are the spectral relaxation for non-convex energies and the…

图形学 · 计算机科学 2017-05-18 Nadav Dym , Haggai Maron , Yaron Lipman

To approximate solutions of a linear differential equation, we project, via trigonometric interpolation, its solution space onto a finite-dimensional space of trigonometric polynomials and construct a matrix representation of the…

数值分析 · 数学 2011-08-30 Oksana Bihun , Austin Bren , Michael Dyrud , Kristin Heysse

We establish an equivalence between two classes of methods for solving fractional diffusion problems, namely, Reduced Basis Methods (RBM) and Rational Krylov Methods (RKM). In particular, we demonstrate that several recently proposed RBMs…

数值分析 · 数学 2021-03-01 Tobias Danczul , Clemens Hofreither

This paper proposes a novel iterative algorithm to compute the stabilizing solution of regime-switching stochastic game-theoretic Riccati differential equations with periodic coefficients. The method decomposes the original complex…

数值分析 · 数学 2025-11-11 Yiyuan Wang

Partial Differential Equations (PDE) are fundamental to model different phenomena in science and engineering mathematically. Solving them is a crucial step towards a precise knowledge of the behaviour of natural and engineered systems. In…

Fractional Laplace equations are becoming important tools for mathematical modeling and prediction. Recent years have shown much progress in developing accurate and robust algorithms to numerically solve such problems, yet most solvers for…

数值分析 · 数学 2018-08-03 Harbir Antil , Yanlai Chen , Akil Narayan