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We introduce Atomistic learned potentials in JAX (apax), a flexible and efficient open source software package for training and inference of machine-learned interatomic potentials. Built on the JAX framework, apax supports GPU acceleration…

Chemical Physics · Physics 2025-11-19 Moritz René Schäfer , Nico Segreto , Fabian Zills , Christian Holm , Johannes Kästner

Coordinating growing grid flexibility under uncertainty is becoming increasingly important for efficient and reliable power-system operation. A core computational requirement is the efficient large-scale batched evaluation of AC power flow…

Systems and Control · Electrical Eng. & Systems 2026-05-15 Yihong Zhou , Dylan Cope , Jakob Foerster , Thomas Morstyn

Heterogeneous high-performance computing (HPC) systems offer novel architectures which accelerate specific workloads through judicious use of specialized coprocessors. A promising architectural approach for future scientific computations is…

Emerging workloads, such as graph processing and machine learning are approximate because of the scale of data involved and the stochastic nature of the underlying algorithms. These algorithms are often distributed over multiple machines…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-12-28 Asim Kadav , Erik Kruus

The ongoing hardware evolution exhibits an escalation in the number, as well as in the heterogeneity, of computing resources. The pressure to maintain reasonable levels of performance and portability forces application developers to leave…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-05-13 Xavier Lacoste , Mathieu Faverge , George Bosilca , Pierre Ramet , Samuel Thibault

Applications that fuse machine learning and simulation can benefit from the use of multiple computing resources, with, for example, simulation codes running on highly parallel supercomputers and AI training and inference tasks on…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-12-04 Logan Ward , J. Gregory Pauloski , Valerie Hayot-Sasson , Ryan Chard , Yadu Babuji , Ganesh Sivaraman , Sutanay Choudhury , Kyle Chard , Rajeev Thakur , Ian Foster

The Abstraction and Reasoning Corpus (ARC) tests AI systems' ability to perform human-like inductive reasoning from a few demonstration pairs. Existing Gymnasium-based RL environments severely limit experimental scale due to computational…

Artificial Intelligence · Computer Science 2026-01-27 Aadam , Monu Verma , Mohamed Abdel-Mottaleb

Specialized image processing accelerators are necessary to deliver the performance and energy efficiency required by important applications in computer vision, computational photography, and augmented reality. But creating,…

Software Engineering · Computer Science 2016-11-01 Jing Pu , Steven Bell , Xuan Yang , Jeff Setter , Stephen Richardson , Jonathan Ragan-Kelley , Mark Horowitz

Heterogeneous multi-core architectures combine on a single chip a few large, general-purpose host cores, optimized for single-thread performance, with (many) clusters of small, specialized, energy-efficient accelerator cores for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-12 Luca Colagrande , Luca Benini

HPC and Cloud have evolved independently, specializing their innovations into performance or productivity. Acceleration as a Service (XaaS) is a recipe to empower both fields with a shared execution platform that provides transparent access…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-10 Torsten Hoefler , Marcin Copik , Pete Beckman , Andrew Jones , Ian Foster , Manish Parashar , Daniel Reed , Matthias Troyer , Thomas Schulthess , Dan Ernst , Jack Dongarra

Graph-specific computing with the support of dedicated accelerator has greatly boosted the graph processing in both efficiency and energy. Nevertheless, their data conflict management is still sequential in essential when some vertex needs…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-06-05 Pengcheng Yao

Current approaches to scheduling workloads on heterogeneous systems with specialized accelerators often rely on manual partitioning, offloading tasks with specific compute patterns to accelerators. This method requires extensive…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-12 Zhenyu Bai , Dan Wu , Pranav Dangi , Dhananjaya Wijerathne , Venkata Pavan Kumar Miriyala , Tulika Mitra

The most important way to achieve higher performance in computer systems is through heterogeneous computing, i.e., by adopting hardware platforms containing more than one type of processor, such as CPUs, GPUs, and FPGAs. Several types of…

Software Engineering · Computer Science 2020-05-19 Hugo Andrade , Ivica Crnkovic , Jan Bosch

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

Performance tools for emerging heterogeneous exascale platforms must address two principal challenges when analyzing execution measurements. First, measurement of large-scale executions may record mountains of performance data. Second,…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-03-11 Jonathon Anderson , Yumeng Liu , John Mellor-Crummey

The state-of-the-art driving automation system demands extreme computational resources to meet rigorous accuracy and latency requirements. Though emerging driving automation computing platforms are based on ASIC to provide better…

Hardware Architecture · Computer Science 2021-04-22 Yuqiong Qi , Yang Hu , Haibin Wu , Shen Li , Haiyu Mao , Xiaochun Ye , Dongrui Fan , Ninghui Sun

Programmability, performance portability, and resource efficiency have emerged as critical challenges in harnessing complex and diverse architectures today to obtain high performance and energy efficiency. While there is abundant research,…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-11-14 Nandita Vijaykumar

Efficient memory management in heterogeneous systems is increasingly challenging due to diverse compute architectures (e.g., CPU, GPU, FPGA) and dynamic task mappings not known at compile time. Existing approaches often require programmers…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-29 Serhan Gener , Aditya Ukarande , Shilpa Mysore Srinivasa Murthy , Sahil Hassan , Joshua Mack , Chaitali Chakrabarti , Umit Ogras , Ali Akoglu

Efficiently serving Large Language Models (LLMs) requires selecting an optimal parallel execution plan, balancing computation, memory, and communication overhead. However, determining the best strategy is challenging due to varying…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-01 Yi-Chien Lin , Woosuk Kwon , Ronald Pineda , Fanny Nina Paravecino

In order to improve system performance efficiently, a number of systems choose to equip multi-core and many-core processors (such as GPUs). Due to their discrete memory these heterogeneous architectures comprise a distributed system within…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-02-27 Hao Wu , Daniel Lohmann , Wolfgang Schröder-Preikschat