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The approximate minimum degree algorithm is widely used before numerical factorization to reduce fill-in for sparse matrices. While considerable attention has been given to the numerical factorization process, less focus has been placed on…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-26 Yen-Hsiang Chang , Aydın Buluç , James Demmel

Efficient implementations of the classical molecular dynamics (MD) method for Lennard-Jones particle systems are considered. Not only general algorithms but also techniques that are efficient for some specific CPU architectures are also…

Statistical Mechanics · Physics 2015-03-17 H. Watanabe , M. Suzuki , N. Ito

The past few years have witnessed growth in the computational requirements for training deep convolutional neural networks. Current approaches parallelize training onto multiple devices by applying a single parallelization strategy (e.g.,…

Machine Learning · Computer Science 2018-06-12 Zhihao Jia , Sina Lin , Charles R. Qi , Alex Aiken

This paper studies parallelization schemes for stochastic Vector Quantization algorithms in order to obtain time speed-ups using distributed resources. We show that the most intuitive parallelization scheme does not lead to better…

Machine Learning · Statistics 2012-05-14 Matthieu Durut , Benoît Patra , Fabrice Rossi

A highly adaptive load balancing algorithm for parallel simulations using particle methods, such as molecular dynamics and smoothed particle hydrodynamics (SPH), is developed. Our algorithm is based on the dynamic spatial decomposition of…

Computational Physics · Physics 2018-11-14 M. S. Egorova , S. A. Dyachkov , A. N. Parshikov , V. V. Zhakhovsky

This paper presents implementation details and empirical results for a hybrid message passing and shared memory paralleliziation of the adaptive integral method (AIM). AIM is implemented on a (near) petaflop supercomputing cluster of…

Computational Engineering, Finance, and Science · Computer Science 2010-10-08 Fangzhou Wei , Ali E. Yılmaz

In Diffusion Probabilistic Models (DPMs), the task of modeling the score evolution via a single time-dependent neural network necessitates extended training periods and may potentially impede modeling flexibility and capacity. To counteract…

Machine Learning · Computer Science 2023-06-06 Etrit Haxholli , Marco Lorenzi

The auto differentiable simulation is a type of simulation that outputs of the simulation include not only the simulation result itself, but also their derivatives with respect to various input parameters. It provides an efficient method to…

Computational Physics · Physics 2025-12-01 Ji Qianga , Yue Hao , Allen Qiang , Jinyu Wan

This article describes algorithms for the hybrid parallelization and SIMD vectorization of molecular dynamics simulations with short-range forces. The parallelization method combines domain decomposition with a thread-based parallelization…

Materials Science · Physics 2017-09-13 Chris M. Mangiardi , Ralf Meyer

We describe a methodology for designing efficient parallel and distributed scientific software. This methodology utilizes sequences of mechanizable algebra--based optimizing transformations. In this study, we apply our methodology to the…

Software Engineering · Computer Science 2008-11-18 Harry B. Hunt , Lenore R. Mullin , Daniel J. Rosenkrantz , James E. Raynolds

In this paper, a parallel overlapping domain decomposition preconditioner is proposed to solve the linear system of equations arising from the extended finite element discretization of elastic crack problems. The algorithm partitions the…

Computational Engineering, Finance, and Science · Computer Science 2021-12-07 Tian Wei , Huang Jingjing , Chen Rongliang , Jiang Yi

We present a computational algorithm for computing short range forces between particles. The algorithm has two distinguishing features. First, it is optimized for multi-processor computers, and will use as many processors as are available.…

Astrophysics · Physics 2008-02-03 Robert C. Ferrell , Edmund Bertschinger

Parallel algorithms on CPU and GPU are implemented for the Unified Gas-Kinetic Scheme and their performances are investigated and compared by a two dimensional channel flow case. The parallel CPU algorithm has a one dimensional block…

Computational Physics · Physics 2018-11-02 Jizhou Liu , Fang Q. Hu , Xiaodong Li

Particle filters are a frequent choice for inference tasks in nonlinear and non-Gaussian state-space models. They can either be used for state inference by approximating the filtering distribution or for parameter inference by approximating…

Machine Learning · Computer Science 2026-02-27 Domonkos Csuzdi , Olivér Törő , Tamás Bécsi

Diffusion models have achieved great success in synthesizing high-quality images. However, generating high-resolution images with diffusion models is still challenging due to the enormous computational costs, resulting in a prohibitive…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Muyang Li , Tianle Cai , Jiaxin Cao , Qinsheng Zhang , Han Cai , Junjie Bai , Yangqing Jia , Ming-Yu Liu , Kai Li , Song Han

Optimizing the parallel training of large models requires exploring intra-operator parallelism plans for a computation graph that typically contains tens of thousands of primitive operators. While the optimization of parallel data…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-08 Weifang Hu , Xuanhua Shi , Yunkai Zhang , Chang Wu , Xuan Peng , Jiaqi Zhai , Hai Jin , Xuehai Qian , Jingling Xue , Yongluan Zhou

Accurate mesh-free simulation of fluid flows involving complex boundaries requires that the boundaries be captured accurately in terms of particles. In the context of incompressible/weakly-compressible fluid flow, the SPH method is more…

Computational Physics · Physics 2021-05-06 Pawan Negi , Prabhu Ramachandran

The simulation of large ensembles of particles is usually parallelized by partitioning the domain spatially and using message passing to communicate between the processes handling neighboring subdomains. The particles are represented as…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-08-03 Sebastian Eibl , Ulrich Rüde

In dual decomposition, the dual to an optimization problem with a specific structure is solved in distributed fashion using (sub)gradient and recently also fast gradient methods. The traditional dual decomposition suffers from two main…

Optimization and Control · Mathematics 2014-04-08 Pontus Giselsson

A parallel 2D+1 split-step Fourier method with Crank-Nicholson scheme running on multi-core shared memory architectures is developed to study the propagation of ultra-short high-intensity laser pulses in air. The parallel method achieves a…

Optics · Physics 2015-07-23 Cunliang Ma , Wenbin Lin
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