Plenary, breakout, hackathon, and tutorial topics and speakers are being finalized by the TPC Steering and Program Committees, and will be announced over the coming month. This schedule is provisional, and will evolve as additional breakout requests are still being submitted.
Rick Stevens, Argonne National Laboratory
Thierry Pellegrino, AWS
Moderator: Satoshi Matsuoka, RIKEN
Steve Clark, Quantinuum
Moderator: Ian Foster, Argonne National Laboratory
Vivek Natarajan, Google
Preeth Chengappa, Microsoft
Moderator: Ricardo Baeza-Yates, Barcelona Supercomputing Center
Rio Yokota, IS Tokyo
Franck Cappello, Argonne National Laboratory
Jiacheng Liu, Allen Institute for AI
Moderator: Karthik Duraisamy, University of Michigan
Ceren Susut, U.S. Department of Energy
Burnie Legette, Intel
Raj Hazra, Quantinuum
Prasanna Balaprakash, Oak Ridge National Laboratory
Flora Salim, University of New South Wales
Moderator: Charlie Catlett, Argonne National Laboratory
BOF: Federated Learning at Scale
BOF: Building Foundation Models for the Electric Grid (GridFM)
Life Sciences
AI Models for Biomedicine and Precision Population Health
Model Skills, Reasoning, and Trust Evaluation (EVAL)
Current State
BOF: Inference Services and AI Workloads
Emerging Needs
AI Models for Software Engineering and Development
BOF: ICICLE AI Institute
Life Sciences
AI for Cancer
Model Skills, Reasoning, and Trust Evaluation (EVAL)
Tools and Frameworks
BOF: Inference Services and AI Workloads
Current Approaches; Projections
Open Slot
Data, Workflows, Agents, and Reasoning Frameworks (DWARF)
Data/Training Workflows
BOF: AI in Decision Sciences
Life Sciences
Agentic Systems for Life Sciences
Model Skills, Reasoning, and Trust Evaluation (EVAL)
Evaluating Reasoning
Model Architecture and Perf Eval (MAPE)
Profiling Tools
AI for Scientific Discovery in Materials Science (AI4MS)
Data, Workflows, Agents, and Reasoning Frameworks (DWARF)
Agentic Systems
BOF: Public AI: Policy, Community, and the Future of National Labs
Life Sciences
Drug Discovery
Model Skills, Reasoning, and Trust Evaluation (EVAL)
Skills Evaluation
Model Architecture and Perf Eval (MAPE)
Current State of LLM Training
Education and Outreach
AI for Scientific Software
BOF: Energy Efficient HPC for AI Workloads
Open Slot
BOF: LLMs and Reasoning
Model Architecture and Perf Eval (MAPE)
Training challenges for non-LLMs
Earth and Environment (AI for Digital Earth)
Rick Stevens, Argonne National Laboratory
Over 1.5 days, participants will learn to build and extend AI agents tailored to scientific challenges, using case studies in biology and chemistry. With guidance from mentors and access to NVIDIA and Cerebras compute resources, teams will collaborate on projects such as molecular tool development, protein engineering, and reasoning agents.
The open-format event emphasizes collaborative learning and practical implementation, building on foundational AI concepts from an introductory tutorial session. It is designed for researchers eager to explore agentic systems and apply them to their own scientific work.
Participants will:
They will collaborate with peers and mentors, access advanced compute resources, and leave with hands-on experience that empowers further exploration of accelerating scientific discovery using advanced AI.
Hackathon Team:
Arvind Ramanathan (Argonne), Miguel Vazquez (BSC),
Mohamed Wahib (RIKEN), Tom Brettin (Argonne).
Session 1: Plenary session with all Tutorial and Hackathon participants: Foundations in AI for Science
Session 2: Intro to Agentic Aystems and Use Cases
Session 3: Team Formation and Project Kickoff
Session 4: Hands-On Hacking with Expert Mentorship
Session 5: Midpoint Sync, Debugging, Breakouts
Session 6: Project Showcases, Wrap-Up Discussion
Miguel Vazquez, Barcelona Supercomputing Center
Neeraj Kumar, Pacific Northwest National Laboratory
AI for Science: Foundations and Frontiers is a hands-on tutorial designed to equip researchers with practical skills and conceptual grounding in the application of large-scale AI models to scientific challenges.
The program covers key components of the AI model lifecycle: from distributed strategies for pre-training generative models to fine-tuning techniques for domain-specific tasks using models like LLAMA-70B and Stable Diffusion.
Participants will also learn to analyze and optimize performance through workload profiling with PARAVER, and to build intelligent scientific workflows using Retrieval-Augmented Generation (RAG) and agent-based approaches. The tutorial concludes with real-world case studies across disciplines—biology, climate, physics, chemistry—highlighting lessons learned from deployment and emerging trends such as simulation models and neural-symbolic systems.
Participants will develop a practical understanding of large-scale AI model development, including:
With exposure to real-world scientific applications and current research frontiers in AI for science.
Instructors:
Experts from Argonne, ORNL, PNNL, CINECA, BSC, and others.
Evaluation of AI Model Scientific Reasoning Skills is a hands-on tutorial designed to equip researchers with practical skills and conceptual grounding in the application of LLMs to scientific challenges.
Large Language Models (LLMs) are becoming capable of solving complex problems while presenting the opportunity to leverage them for scientific applications. However, even the most sophisticated models can struggle with simple reasoning tasks and make mistakes.
This tutorial focuses on best practices for evaluating LLMs for science applications. It guides participants through methods and techniques for testing LLMs at basic and intermediate levels. It starts with the fundamentals of LLM design, development, application, and evaluation while focusing on scientific application. Participants will also learn various complementary methods to rigorously evaluate LLM responses in benchmarks and end-to-end scenario settings. The tutorial features a hands-on session where participants use LLMs to solve provided problems.
Participants will learn the principles and approaches for the use of LLMs as scientific assistants and how these can be evaluated with respect to scientific knowledge and reasoning skills, such as:
Instructors:
Franck Cappello, Sandeep Madireddy, Neil Getty (Argonne), Javier Aula-Blasco (BSC)
Session 1: Plenary session with all Tutorial and Hackathon participants: Foundations in AI for Science
Session 2: Case Studies and Emerging Frontiers in AI for Science
Session 2: Use Cases and Basic Evaluation Techniques
Session 3: Parallelization Strategies for Large-Scale Pre-Training
Session 3: Advanced Evaluation Techniques
Session 4: Fine-Tuning Techniques: From Theory to Practice
Session 4: Hands On
Session 5: Profiling AI Workloads with PARAVER
Session 6: Building RAG-Based Workflows OR AI Agents
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LUNCH & PANEL DISCUSSION
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Plenary, breakout, hackathon, and tutorial topics and speakers are TBD as per TPC Steering and Program Committees, and will be announced over the coming months. Some of TPC’s prior speakers include:
Ian Foster, one of the 10 most cited computer scientists in the U.S. His work in “Grid Computing” began in 1994 and provided much of the underlying principles that were applied a decade later to create cloud computing. His team’s distributed computing infrastructure, Globus, is used by hundreds of computing centers around the world for both traditional scientific HPC computing and for AI workflows.
Rick Stevens, who is responsible for Argonne’s HPC center and a portfolio of over $500M/year of research. He has been one of the leaders in the DOE community that laid the intellectual and funding groundwork for the multi-$B Exascale project and the multi-$B plan for DOE investment in AI.
Satoshi Matsuoka, Japan’s leading computational scientist, with a portfolio and responsibilities at Japan’s RIKEN national laboratory similar to Rick Stevens’ programs at Argonne. He has won numerous international leadership awards and received an award from the Emperor of Japan for his work computational modeling of COVID-19 spread, which saved lives through its use designing public health policies during the pandemic.