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Frontiers in Generative AI for HPC Science and Engineering: Foundations, Challenges, and Opportunities
DescriptionRealizing the promise of large-scale foundation models for scientific discovery—enabling self-driving laboratories, hypothesis generation, and more—requires unprecedented computational scale and multidisciplinary efforts to prepare diverse scientific data. While only a few organizations can train state-of-the-art models from scratch (e.g., trillions of parameters, tens of trillions of tokens), advances in training strategies and fine-tuning have expanded accessibility. Simultaneously, breakthroughs in training methodologies and data quality are dramatically reducing training costs and improving the performance of even smaller AI models. As AI models advance in general-purpose tasks, the scientific community is refining methods to evaluate and enhance their scientific reasoning capabilities, a critical challenge for trustworthy AI in science. This workshop, catalyzed by the Trillion Parameter Consortium (TPC), will highlight collaborations in scientific skills evaluation, performance optimization, federated learning, responsible AI, and other topics. SC24 drew 33 submissions, with 13 presented to nearly 200 attendees, underscoring the rapid evolution of this field.
Presentations
9:00am - 9:01am CSTFrontiers in Generative AI for HPC Science and Engineering: Foundations, Challenges, and Opportunities
9:01am - 9:10am CSTWorkshop Welcome and Overview
9:10am - 9:40am CSTEvaluation of Test-Time Compute Constraints on Safety and Skill Large Reasoning Models
9:40am - 10:00am CSTBatch Tiling on Attention: Efficient Mixture of Experts Training on Wafer-Scale Processors
10:00am - 10:30am CSTMorning Break - Frontiers in Generative AI for HPC Science and Engineering: Foundations, Challenges, and Opportunities
10:30am - 11:00am CSTAutomated MCQA Benchmarking at Scale: Evaluating Reasoning Traces as Retrieval Sources for Domain Adaptation of Small Language Models
11:00am - 11:30am CSTAgentic AI vs ML-based Autotuning: A Comparative Study for Loop Reordering Optimization
11:30am - 12:00pm CSTGridMind: LLMs-Powered Agents for Power System Analysis and Operations
12:00pm - 12:30pm CSTFrameworks for Large Language Model Serving in HPC Environments
12:30pm - 2:00pm CSTLunch break (on your own)
2:00pm - 2:20pm CSTExploring Distributed Vector Databases Performance on HPC Platforms: A Study with Qdrant
2:20pm - 2:40pm CSTEQSIM Agent: A Conversational AI for Interactive Exploration of Large-scale Earthquake Simulation Data
Author/Presenters
2:40pm - 3:00pm CSTBeyond End-to-End: Understanding the Limits of LLMs in Scientific Problem Solving
3:00pm - 3:30pm CSTAfternoon Break - Frontiers in Generative AI for HPC Science and Engineering: Foundations, Challenges, and Opportunities
3:30pm - 4:00pm CSTBioR5: A Three-Layer Architecture for Biological Reasoning in Scientific AI
4:00pm - 4:30pm CSTLABMATE: Language Model Based Multi-Agent System to Accelerate Catalysis Experiments
4:30pm - 5:00pm CSTChatEED: An agentic retrieval assistant for accelerator operators
5:00pm - 5:30pm CSTAn Update on TPC-Coordinated Global Collaborative Projects