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Message-passing graph neural network interatomic potentials (GNN-IPs), particularly those with equivariant representations such as NequIP, are attracting significant attention due to their data efficiency and high accuracy. However,…

Materials Science · Physics 2024-06-13 Yutack Park , Jaesun Kim , Seungwoo Hwang , Seungwu Han

This paper introduces Decoupled Supervised Learning with Information Regularization (DeInfoReg), a novel approach that transforms a long gradient flow into multiple shorter ones, thereby mitigating the vanishing gradient problem.…

Machine Learning · Computer Science 2025-07-16 Zih-Hao Huang , You-Teng Lin , Hung-Hsuan Chen

In this paper we solve on GPUs massive problems with large amount of data, which are not appropriate for solution with the SIMD technology. For the given problem we consider a three-level parallelization. The multithreading of CPU is used…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-02-18 Natalya Litvinenko

Realistic reservoir simulation is known to be prohibitively expensive in terms of computation time when increasing the accuracy of the simulation or by enlarging the model grid size. One method to address this issue is to parallelize the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-14 Tong Dong Qiu , Andreas Thune , Vinicius Oliveira Martins , Markus Blatt , Alf Birger Rustad , Razvan Nane

We propose a parareal based time parallelization scheme in the phase-space for the particle-in-Fourier (PIF) discretization of the Vlasov-Poisson system used in kinetic plasma simulations. We use PIF with a coarse tolerance for the…

Numerical Analysis · Mathematics 2025-06-17 Sriramkrishnan Muralikrishnan , Robert Speck

This paper first presents a parallel solution for the Flowshop Scheduling Problem in parallel environment, and then proposes a novel load balancing strategy. The proposed Proportional Fairness Strategy (PFS) takes computational performance…

Networking and Internet Architecture · Computer Science 2008-09-22 Zheng Sun , Xiaohong Huang , Yan Ma

This article presents an automatic approach to quickly derive a good solution for hardware resource partition and task granularity for task-based parallel applications on heterogeneous many-core architectures. Our approach employs a…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-03-10 Peng Zhang , Jianbin Fang , Canqun Yang , Chun Huang , Tao Tang , Zheng Wang

Deploying a large language model (LLM) inference service remains costly because centralized serving depends on specialized GPU clusters and high-bandwidth interconnects in datacenters. An appealing alternative is to leverage collaborative…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-01 Chris Tong , Youhe Jiang , Gufeng Chen , Tianyi Zhao , Sibian Lu , Wenjie Qu , Eric Yang , Lynn Ai , Binhang Yuan

Massively multicore processors, such as Graphics Processing Units (GPUs), provide, at a comparable price, a one order of magnitude higher peak performance than traditional CPUs. This drop in the cost of computation, as any…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-18 Samer Al-Kiswany , Abdullah Gharaibeh , Matei Ripeanu

The nonuniform fast Fourier transform (NUFFT) enables spectral methods for problems with irregularly spaced samples, with applications in medical imaging, molecular dynamics, and kinetic plasma simulations. Existing implementations are…

Computational Engineering, Finance, and Science · Computer Science 2026-05-12 Paul Fischill , Andreas Adelmann , Sriramkrishnan Muralikrishnan

Fluid simulations are often performed using the incompressible Navier-Stokes equations (INSE), leading to sparse linear systems which are difficult to solve efficiently in parallel. Recently, kinetic methods based on the…

Graphics · Computer Science 2021-01-29 Yixin Chen , Wei Li , Rui Fan , Xiaopei Liu

Lattice field theory (LFT) simulations underpin advances in classical statistical mechanics and quantum field theory, providing a unified computational framework across particle, nuclear, and condensed matter physics. However, the…

Neural and Evolutionary Computing · Computer Science 2025-09-17 Meng Xu , Jichang Yang , Ning Lin , Qundao Xu , Siqi Tang , Han Wang , Xiaojuan Qi , Zhongrui Wang , Ming Xu

Diffusion Transformer (DiT)-based video diffusion models generate high-quality videos at scale but incur prohibitive processing latency and memory costs for long videos. To address this, we propose a novel distributed inference strategy,…

Computer Vision and Pattern Recognition · Computer Science 2025-05-30 Zeqing Wang , Bowen Zheng , Xingyi Yang , Zhenxiong Tan , Yuecong Xu , Xinchao Wang

With the increasing number of Machine and Deep Learning applications in High Energy Physics, easy access to dedicated infrastructure represents a requirement for fast and efficient R&D. This work explores different types of cloud services…

Machine Learning · Computer Science 2021-11-09 Renato Cardoso , Dejan Golubovic , Ignacio Peluaga Lozada , Ricardo Rocha , João Fernandes , Sofia Vallecorsa

Comprehending the performance bottlenecks at the core of the intricate hardware-software interactions exhibited by highly parallel programs on HPC clusters is crucial. This paper sheds light on the issue of automatically asynchronous MPI…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-09-06 Ayesha Afzal , Georg Hager , Stefano Markidis , Gerhard Wellein

Traditionally, distributed machine learning takes the guise of (i) different nodes training the same model (as in federated learning), or (ii) one model being split among multiple nodes (as in distributed stochastic gradient descent). In…

Networking and Internet Architecture · Computer Science 2022-07-07 Francesco Malandrino , Carla Fabiana Chiasserini

Micro-macro models provide a powerful tool to study the relationship between microscale mechanisms and emergent macroscopic behavior. However, the detailed microscopic modeling may require tracking and evolving a high-dimensional…

Computational Physics · Physics 2019-08-13 Steven Cook , Tamar Shinar

Matrix factorization (MF) discovers latent features from observations, which has shown great promises in the fields of collaborative filtering, data compression, feature extraction, word embedding, etc. While many problem-specific…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-08-14 Wei Tan , Shiyu Chang , Liana Fong , Cheng Li , Zijun Wang , Liangliang Cao

Numerical modeling of the intensity and evolution of flood events are affected by multiple sources of uncertainty such as precipitation and land surface conditions. To quantify and curb these uncertainties, an ensemble-based simulation and…

Geophysics · Physics 2023-02-17 Junyu Wei , Xiangyu Luo , Weihong Liao , Xiaohui Lei , Jianshi Zhao , Haocheng Huang , Hao Wang

Tensor network algorithms can efficiently simulate complex quantum many-body systems by utilizing knowledge of their structure and entanglement. These methodologies have been adapted recently for solving the Navier-Stokes equations, which…