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Modern graphics processing units (GPUs) provide impressive computing resources, which can be accessed conveniently through the CUDA programming interface. We describe how GPUs can be used to considerably speed up molecular dynamics (MD)…

Computational Physics · Physics 2011-04-08 Peter H. Colberg , Felix Höfling

We present a parallel algorithm for calculating very large determinants with arbitrary precision on computer clusters. This algorithm minimises data movements between the nodes and computes not only the determinant but also all minors…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Gleb Beliakov , Yuri Matiyasevich

Graphics Processing Units (GPUs) are widely used by various applications in a broad variety of fields to accelerate their computation but remain susceptible to transient hardware faults (soft errors) that can easily compromise application…

Software Engineering · Computer Science 2021-03-30 Lishan Yang , Bin Nie , Adwait Jog , Evgenia Smirni

The edge computing paradigm has emerged to handle cloud computing issues such as scalability, security and low response time among others. This new computing trend heavily relies on ubiquitous embedded systems on the edge. Performance and…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-28 Mohammad Hosseinabady , Mohd Amiruddin Bin Zainol , Jose Nunez-Yanez

Process mapping asks to assign vertices of a task graph to processing elements of a supercomputer such that the computational workload is balanced while the communication cost is minimized. Motivated by the recent success of GPU-based graph…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-16 Petr Samoldekin , Christian Schulz , Henning Woydt

Recent enhancements to the Primal-Dual Hybrid Gradient (PDHG) algorithm have enabled GPUs to efficiently solve large linear programming problems, often faster than the long-dominant simplex and interior-point methods. The solutions found by…

Optimization and Control · Mathematics 2025-11-19 Edward Rothberg

Several classic problems in graph processing and computational geometry are solved via incremental algorithms, which split computation into a series of small tasks acting on shared state, which gets updated progressively. While the…

Data Structures and Algorithms · Computer Science 2020-03-24 Dan Alistarh , Nikita Koval , Giorgi Nadiradze

Quantum computers are becoming practical for computing numerous applications. However, simulating quantum computing on classical computers is still demanding yet useful because current quantum computers are limited because of computer…

Quantum Physics · Physics 2023-08-08 Jun Doi , Hiroshi Horii , Christopher Wood

A modern graphics processing unit (GPU) is able to perform massively parallel scientific computations at low cost. We extend our implementation of the checkerboard algorithm for the two dimensional Ising model [T. Preis et al., J. Comp.…

Computational Physics · Physics 2010-07-22 Benjamin Block , Peter Virnau , Tobias Preis

Monte Carlo (MC) simulation is commonly considered to be the most accurate dose calculation method in radiotherapy. However, its efficiency still requires improvement for many routine clinical applications. In this paper, we present our…

Medical Physics · Physics 2015-05-28 Xun Jia , Xuejun Gu , Yan Jiang Graves , Michael Folkerts , Steve B. Jiang

Linear Programming (LP) is a foundational optimization technique with widespread applications in finance, energy trading, and supply chain logistics. However, traditional Central Processing Unit (CPU)-based LP solvers often struggle to meet…

Optimization and Control · Mathematics 2025-08-26 Xiyan Hu , Titus Parker , Connor Phillips , Yifa Yu

Gravitational lensing calculation using a direct inverse ray-shooting approach is a computationally expensive way to determine magnification maps, caustic patterns, and light-curves (e.g. as a function of source profile and size). However,…

Instrumentation and Methods for Astrophysics · Physics 2009-09-28 Alexander C. Thompson , Christopher J. Fluke , David G. Barnes , Benjamin R. Barsdell

We present a second-order recursive Fermi-operator expansion scheme using mixed precision floating point operations to perform electronic structure calculations using tensor core units. A performance of over 100 teraFLOPs is achieved for…

QR decomposition is an essential operation for solving linear equations and obtaining least-squares solutions. In high-performance computing systems, large-scale parallel QR decomposition often faces node faults. We address this issue by…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-21 Quang Minh Nguyen , Iain Weissburg , Haewon Jeong

Sparse Matricized Tensor Times Khatri-Rao Product (spMTTKRP) is the bottleneck kernel of sparse tensor decomposition. In this work, we propose a GPU-based algorithm design to address the key challenges in accelerating spMTTKRP computation,…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-15 Sasindu Wijeratne , Rajgopal Kannan , Viktor Prasanna

Top-K SpMV is a key component of similarity-search on sparse embeddings. This sparse workload does not perform well on general-purpose NUMA systems that employ traditional caching strategies. Instead, modern FPGA accelerator cards have a…

Hardware Architecture · Computer Science 2021-03-09 Alberto Parravicini , Luca Giuseppe Cellamare , Marco Siracusa , Marco Domenico Santambrogio

With the advent of high-performance computing techniques, the data for analysis has grown significantly. Here, graphic processing unit (GPU) based program kernels are discussed to exploit parallelism in the analysis codes specific to…

Computational Physics · Physics 2018-11-07 Gourav Shrivastav , Manish Agarwal

Multiphase compressible flows are often characterized by a broad range of space and time scales. Thus entailing large grids and small time steps, simulations of these flows on CPU-based clusters can thus take several wall-clock days.…

Dynamic programming (DP) is a cornerstone of combinatorial optimization, yet its inherently sequential structure has long limited its scalability in scenario-based stochastic programming (SP). This paper introduces a GPU-accelerated…

Optimization and Control · Mathematics 2025-11-25 Jingyi Zhao , Linxin Yang , Haohua Zhang , Tian Ding

Matrix multiplication over the real field constitutes a foundational operation in the training of deep learning models, serving as a computational cornerstone for both forward and backward propagation processes. However, the presence of…

Information Theory · Computer Science 2025-08-07 Hao Shi , Zhengyi Jiang , Zhongyi Huang , Bo Bai , Gong Zhang , Hanxu Hou
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