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State of art DL models are growing in size and complexity, with many modern models also increasing in heterogeneity of behavior. GPUs are still the dominant platform for DL applications, relying on a bulk-synchronous execution model which…

Hardware Architecture · Computer Science 2025-02-26 Michael Davies , Neal Crago , Karthikeyan Sankaralingam , Stephen W. Keckler

We describe a highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue (Anderson and Glotzer, arXiv:1308.5587). Our approach is inspired by a traditional CPU-based…

Agent-based modeling (ABM) is a powerful computational approach for studying complex biological and biomedical systems, yet its widespread use remains limited by significant computational demands. As models become increasingly…

Quantitative Methods · Quantitative Biology 2025-04-17 Kerri-Ann Norton , Daniel Bergman , Harsh Vardhan Jain , Trachette Jackson

Due to new government legislation, customers' environmental concerns and continuously rising cost of energy, energy efficiency is becoming an essential parameter of industrial manufacturing processes in recent years. Most efforts…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-27 Jia Luo , Shigeru Fujimura , Didier El Baz

Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…

Machine Learning · Computer Science 2025-12-09 Zihan Pengmei , Spencer C. Guo , Chatipat Lorpaiboon , Aaron R. Dinner

Designing and validating sensor applications and algorithms in simulation is an important step in the modern development process. Furthermore, modern open-source multi-sensor simulation frameworks are moving towards the usage of video-game…

Robotics · Computer Science 2023-03-24 Wouter Jansen , Nico Huebel , Jan Steckel

GPUs are critical for compute-intensive applications, yet emerging workloads such as recommender systems, graph analytics, and data analytics often exceed GPU memory capacity. Existing solutions allow GPUs to use CPU DRAM or SSDs as…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-08-27 Zhuoping Yang , Jinming Zhuang , Xingzhen Chen , Alex K. Jones , Peipei Zhou

Modern films, games and virtual reality applications are dependent on convincing computer graphics. Highly complex models are a requirement for the successful delivery of many scenes and environments. While workflows such as rendering,…

Neural and Evolutionary Computing · Computer Science 2016-04-21 Jan Kruse , Andy M. Connor

Recent progress in artificial intelligence (AI) and high-performance computing (HPC) have brought potentially game-changing opportunities in accelerating reactive flow simulations. In this study, we introduce an open-source computational…

Computational Engineering, Finance, and Science · Computer Science 2023-12-22 Runze Mao , Yingrui Wang , Min Zhang , Han Li , Jiayang Xu , Xinyu Dong , Yan Zhang , Zhi X. Chen

Understanding how people view and interact with autonomous vehicles is important to guide future directions of research. One such way of aiding understanding is through simulations of virtual environments involving people and autonomous…

Robotics · Computer Science 2020-08-27 John Charlton , Luis Rene Montana Gonzalez , Steve Maddock , Paul Richmond

RUMD is a general purpose, high-performance molecular dynamics (MD) simulation package running on graphical processing units (GPU's). RUMD addresses the challenge of utilizing the many-core nature of modern GPU hardware when simulating…

This paper introduces a random-batch molecular dynamics (RBMD) package for fast simulations of particle systems at the nano/micro scale. Different from existing packages, the RBMD uses random batch methods for nonbonded interactions of…

Computational Physics · Physics 2025-11-11 Weihang Gao , Teng Zhao , Yongfa Guo , Jiuyang Liang , Huan Liu , Maoying Luo , Zedong Luo , Wei Qin , Yichao Wang , Qi Zhou , Shi Jin , Zhenli Xu

Simulation speed matters for neuroscientific research: this includes not only how quickly the simulated model time of a large-scale spiking neuronal network progresses, but also how long it takes to instantiate the network model in computer…

Just as computational simulations of atoms, molecules and cells have shaped the way we study the sciences, true-to-life simulations of human-like agents can be valuable tools for studying human behavior. We propose Humanoid Agents, a system…

Computation and Language · Computer Science 2023-10-10 Zhilin Wang , Yu Ying Chiu , Yu Cheung Chiu

Creating end-to-end bioinformatics workflows requires diverse domain expertise, which poses challenges for both junior and senior researchers as it demands a deep understanding of both genomics concepts and computational techniques. While…

Dynamic Scene Graphs (DSGs) provide a structured representation of hierarchical, interconnected environments, but current approaches struggle to capture stochastic dynamics, partial observability, and multi-agent activity. These aspects are…

Robotics · Computer Science 2025-10-13 Lars Ohnemus , Nils Hantke , Max Weißer , Kai Furmans

With the fast development of deep neural networks (DNNs), many real-world applications are adopting multiple models to conduct compound tasks, such as co-running classification, detection, and segmentation models on autonomous vehicles.…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-11-30 Fuxun Yu , Shawn Bray , Di Wang , Longfei Shangguan , Xulong Tang , Chenchen Liu , Xiang Chen

Device-to-device (D2D) communications is one of the key emerging technologies for the fifth generation (5G) networks and beyond. It enables direct communication between mobile users and thereby extends coverage for devices lacking direct…

Networking and Internet Architecture · Computer Science 2022-01-31 Chaima Ghribi , Elie Cali , Christian Hirsch , Benedikt Jahnel

Multiple matching algorithms are used to locate the occurrences of patterns from a finite pattern set in a large input string. Aho-Corasick and Wu-Manber, two of the most well known algorithms for multiple matching require an increased…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-07-11 Charalampos S. Kouzinopoulos , John-Alexander M. Assael , Themistoklis K. Pyrgiotis , Konstantinos G. Margaritis

Mesoscopic numerical simulations provide a unique approach for the quantification of the chemical influences on red blood cell functionalities. The transport Dissipative Particles Dynamics (tDPD) method can lead to such effective multiscale…

Computational Physics · Physics 2017-06-07 Ansel L. Blumers , Yu-Hang Tang , Zhen Li , Xuejin Li , George E. Karniadakis
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