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Machine learning potentials have achieved great success in accelerating atomistic simulations. Many of them relying on atom-centered local descriptors are natural for parallelization. More recent message passing neural network (MPNN) models…

化学物理 · 物理学 2025-06-10 Junfan Xia , Bin Jiang

In many inverse problems, model parameters cannot be precisely determined from observational data. Bayesian inference provides a mechanism for capturing the resulting parameter uncertainty, but typically at a high computational cost. This…

统计计算 · 统计学 2019-03-28 Matthew Parno , Tarek Moselhy , Youssef Marzouk

For time-dependent partial differential equations, parallel-in-time integration using the "parallel full approximation scheme in space and time" (PFASST) is a promising way to accelerate existing space-parallel approaches beyond their…

数值分析 · 数学 2018-06-07 Matthias Bolten , Dieter Moser , Robert Speck

While MCMC methods have become a main work-horse for Bayesian inference, scaling them to large distributed datasets is still a challenge. Embarrassingly parallel MCMC strategies take a divide-and-conquer stance to achieve this by writing…

机器学习 · 计算机科学 2021-06-16 Diego Mesquita , Paul Blomstedt , Samuel Kaski

R has become a cornerstone of scientific and statistical computing due to its extensive package ecosystem, expressive syntax, and strong support for reproducible analysis. However, as data sizes and computational demands grow, native R…

分布式、并行与集群计算 · 计算机科学 2025-05-13 Xiran Zhang , Javier Conejero , Sameh Abdulah , Jorge Ejarque , Ying Sun , Rosa M. Badia , David E. Keyes , Marc G. Genton

A parallelizable iterative procedure based on domain decomposition is presented and analyzed for weak Galerkin finite element methods for second order elliptic equations. The convergence analysis is established for the decomposition of the…

数值分析 · 数学 2022-04-12 Chunmei Wang , Junping Wang , Shangyou Zhang

System performance for networks composed of interconnected subsystems can be increased if the traditionally separated subsystems are jointly optimized. Recently, parallel and distributed optimization methods have emerged as a powerful tool…

最优化与控制 · 数学 2013-02-14 Ion Necoara , Valentin Nedelcu , Ioan Dumitrache

We propose a novel multiple-scale spatial marching method for flows with slow streamwise variation. The key idea is to couple the boundary region equations, which govern large-scale flow evolution, with local exact coherent structures that…

流体动力学 · 物理学 2026-01-14 Runjie Song , Kengo Deguchi

We present an algorithm for parallelising the TreePM code. We use both functional and domain decompositions. Functional decomposition is used to separate the computation of long range and short range forces, as well as the task of…

天体物理学 · 物理学 2007-05-23 Suryadeep Ray , J. S. Bagla

The Simplex tableau has been broadly used and investigated in the industry and academia. With the advent of the big data era, ever larger problems are posed to be solved in ever larger machines whose architecture type did not exist in the…

分布式、并行与集群计算 · 计算机科学 2019-05-29 Demetrios Coutinho , Felipe O. Lins e Silva , Daniel Aloise , Samuel , Xavier-de-Souza

We describe an asynchronous parallel stochastic proximal coordinate descent algorithm for minimizing a composite objective function, which consists of a smooth convex function plus a separable convex function. In contrast to previous…

最优化与控制 · 数学 2015-12-14 Ji Liu , Stephen J. Wright

Sequential computation is well understood but does not scale well with current technology. Within the next decade, systems will contain large numbers of processors with potentially thousands of processors per chip. Despite this, many…

硬件体系结构 · 计算机科学 2015-11-17 James Hanlon

The study deals with the parallelization of finite element based Navier-Stokes codes using domain decomposition and state-ofart sparse direct solvers. There has been significant improvement in the performance of sparse direct solvers.…

分布式、并行与集群计算 · 计算机科学 2009-11-05 Mandhapati P. Raju , Siddhartha Khaitan

Semisort is a fundamental algorithmic primitive widely used in the design and analysis of efficient parallel algorithms. It takes input as an array of records and a function extracting a \emph{key} per record, and reorders them so that…

数据结构与算法 · 计算机科学 2023-04-21 Xiaojun Dong , Yunshu Wu , Zhongqi Wang , Laxman Dhulipala , Yan Gu , Yihan Sun

This paper combines the use of high order finite element methods with parallel preconditioners of domain decomposition type for solving electromagnetic problems arising from brain microwave imaging. The numerical algorithms involved in such…

计算物理 · 物理学 2020-03-23 M. Bonazzoli , V. Dolean , F. Rapetti , P. -H. Tournier

The kernel-based multi-scale method has been proven to be a powerful approximation method for scattered data approximation problems which is computationally superior to conventional kernel-based interpolation techniques. The multi-scale…

数值分析 · 数学 2025-03-10 Federico Lot , Christian Rieger

The scalability of massively parallel algorithms is a fundamental question in computer science. We study the scalability and the efficiency of a conservative massively parallel algorithm for discrete-event simulations where the discrete…

统计力学 · 物理学 2007-05-23 G. Korniss , M. A. Novotny , Z. Toroczkai , P. A. Rikvold

We propose a new class of high-order time-marching schemes with dissipation user-control and unconditional stability for parabolic equations. High-order time integrators can deliver the optimal performance of highly-accurate and robust…

数值分析 · 数学 2021-02-12 Pouria Behnoudfar , Quanling Deng , Victor M. Calo

Parabolic equations on evolving domains model a multitude of applications including various industrial processes such as the molding of heated materials. Such equations are numerically challenging as they require large-scale computations…

偏微分方程分析 · 数学 2025-03-10 Amal Alphonse , Ana Djurdjevac , Emil Engström , Eskil Hansen

Parallel matrix multiplication is one of the most studied fundamental problems in distributed and high performance computing. We obtain a new parallel algorithm that is based on Strassen's fast matrix multiplication and minimizes…

数据结构与算法 · 计算机科学 2012-02-16 Grey Ballard , James Demmel , Olga Holtz , Benjamin Lipshitz , Oded Schwartz
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