Leveraging AI for Productive and Trustworthy HPC Software: Challenges and Research Directions

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Abstract

We discuss the challenges and propose research directions for using AI to revolutionize the development of high-performance computing (HPC) software. AI technologies, in particular large language models, have transformed every aspect of software development. For its part, HPC software is recognized as a highly specialized scientific field of its own. We discuss the challenges associated with leveraging state-of-the-art AI technologies to develop such a unique and niche class of software and outline our research directions in the two US Department of Energy–funded projects for advancing HPC Software via AI: Ellora and Durban.

Original languageEnglish
Title of host publicationHigh Performance Computing - ISC High Performance 2025 International Workshops, Revised Selected Papers
EditorsSarah Neuwirth, Arnab Kumar Paul, Tobias Weinzierl, Erin Claire Carson
PublisherSpringer Science and Business Media Deutschland GmbH
Pages615-625
Number of pages11
ISBN (Print)9783032076113
DOIs
StatePublished - 2026
Event40th International Conference on High Performance Computing, ISC High Performance 2025 - Hamburg, Germany
Duration: Jun 10 2025Jun 13 2025

Publication series

NameLecture Notes in Computer Science
Volume16091 LNCS
ISSN (Print)0302-9743
ISSN (Electronic)1611-3349

Conference

Conference40th International Conference on High Performance Computing, ISC High Performance 2025
Country/TerritoryGermany
CityHamburg
Period06/10/2506/13/25

Funding

This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, through solicitation DE-FOA-0003264, “Advancements in Artificial Intelligence for Science,” under Award Numbers DE-SC0025598 and DE-SC0025645. This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (https://www.energy.gov/doe-public-access-plan). This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 (LLNL-CONF-2005811). This manuscript has been authored by an author at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231 with the U.S. Department of Energy. The U.S. Government retains, and the publisher, by accepting the article for publication, acknowledges, that the U.S. Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. Government purposes.

Keywords

  • AI
  • HPC Software
  • Large language models
  • Parallel code
  • Performance portability

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