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This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

All-pairs shortest paths (APSP) remains a major bottleneck for large-scale graph analytics, as data movement with cubic complexity overwhelms the bandwidth of conventional memory hierarchies. In this work, we propose RAPID-Graph to address…

Hardware Architecture · Computer Science 2026-01-29 Yanru Chen , Zheyu Li , Keming Fan , Runyang Tian , John Hsu , Weihong Xu , Minxuan Zhou , Tajana Rosing

SHAP (SHapley Additive exPlanation) values provide a game theoretic interpretation of the predictions of machine learning models based on Shapley values. While exact calculation of SHAP values is computationally intractable in general, a…

Machine Learning · Computer Science 2022-02-04 Rory Mitchell , Eibe Frank , Geoffrey Holmes

The most efficient way to calculate strong bisimilarity is by calculation the relational coarsest partition on a transition system. We provide the first linear time algorithm to calculate strong bisimulation using parallel random access…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-05-26 Jan Martens , Jan Friso Groote , Lars van den Haak , Pieter Hijma , Anton Wijs

Hybrid parallelism underpins large-scale LLM training across tens of thousands of GPUs. At such scale, hardware failures on individual devices lead to performance skew across devices, diminishing overall training efficiency. Existing…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-12 Tenghui Ma , Jihu Guo , Wei Gao , Sitian Lu , Zhisheng Ye , Hanjing Wang , Dahua Lin

We present a versatile GPU-based parallel version of Logistic Regression (LR), aiming to address the increasing demand for faster algorithms in binary classification due to large data sets. Our implementation is a direct translation of the…

Machine Learning · Computer Science 2023-08-22 Nechba Mohammed , Mouhajir Mohamed , Sedjari Yassine

Deep reinforcement learning (RL) is a powerful framework to train decision-making models in complex environments. However, RL can be slow as it requires repeated interaction with a simulation of the environment. In particular, there are key…

Machine Learning · Computer Science 2021-10-12 Tian Lan , Sunil Srinivasa , Huan Wang , Stephan Zheng

The time required for training the neural networks increases with size, complexity, and depth. Training model parameters by backpropagation inherently creates feedback loops. These loops hinder efficient pipelining and scheduling of the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-12-30 Nanda K. Unnikrishnan , Keshab K. Parhi

In large-scale LLM pre-training systems with 100k+ GPUs, failures become the norm rather than the exception, and restart costs can dominate wall-clock training time. However, existing fault-tolerance mechanisms are largely unprepared for…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-29 Jin Lee , Zhonghao Chen , Xuhang He , Robert Underwood , Bogdan Nicolae , Franck Cappello , Xiaoyi Lu , Sheng Di , Zheng Zhang

Sequence parallelism (SP) serves as a prevalent strategy to handle long sequences that exceed the memory limit of a single device. However, for linear sequence modeling methods like linear attention, existing SP approaches do not take…

Machine Learning · Computer Science 2025-05-19 Weigao Sun , Zhen Qin , Dong Li , Xuyang Shen , Yu Qiao , Yiran Zhong

This paper presents efforts to improve the hierarchical parallelism of a two scale simulation code. Two methods to improve the GPU parallel performance were developed and compared. The first used the NVIDIA Multi-Process Service and the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-15 Jacob Merson , Mark S. Shephard

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

With the rapid innovation of GPUs, heterogeneous GPU clusters in both public clouds and on-premise data centers have become increasingly commonplace. In this paper, we demonstrate how pipeline parallelism, a technique wellstudied for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-28 Z. Jonny Kong , Qiang Xu , Y. Charlie Hu

In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-26 Uldis Locans , Andreas Adelmann , Andreas Suter , Jannis Fischer , Werner Lustermann , Gunther Dissertori , Qiulin Wang

Random graphs (or networks) have gained a significant increase of interest due to its popularity in modeling and simulating many complex real-world systems. Degree sequence is one of the most important aspects of these systems. Random…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-12 Hasanuzzaman Bhuiyan , Maleq Khan , Madhav Marathe

Many techniques in program synthesis, superoptimization, and array programming require parallel rollouts of general-purpose programs. GPUs, while capable targets for domain-specific parallelism, are traditionally underutilized by such…

Programming Languages · Computer Science 2026-04-15 Breandan Considine

We introduce Breadth-First Pipeline Parallelism, a novel training schedule which optimizes the combination of pipeline and data parallelism. Breadth-First Pipeline Parallelism lowers training time, cost and memory usage by combining a high…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-07-10 Joel Lamy-Poirier

Speculative backpropagation has emerged as a promising technique to accelerate the training of neural networks by overlapping the forward and backward passes. Leveraging speculative weight updates when error gradients fall within a specific…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-18 Sed Centeno , Christopher Sprague , Arnab A Purkayastha , Ray Simar , Neeraj Magotra

We propose a highly parallel primal-dual algorithm for the multicut (a.k.a. correlation clustering) problem, a classical graph clustering problem widely used in machine learning and computer vision. Our algorithm consists of three steps…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-03-14 Ahmed Abbas , Paul Swoboda

Designing and implementing efficient, provably correct parallel machine learning (ML) algorithms is challenging. Existing high-level parallel abstractions like MapReduce are insufficiently expressive while low-level tools like MPI and…

Machine Learning · Computer Science 2010-06-28 Yucheng Low , Joseph Gonzalez , Aapo Kyrola , Danny Bickson , Carlos Guestrin , Joseph M. Hellerstein