Description

The integration of artificial intelligence (AI) and machine learning (ML) into the realm of science represents a pivotal shift in the traditional methods of scientific discovery. For centuries, the systematic and logical exploration of the natural world has followed a consistent methodology. However, the emergence of AI and ML technologies promises a profound transformation in how fundamental scientific discoveries are made today. This joint effort is crucial for enhancing interdisciplinary dialogue, stimulating innovative problem-solving approaches, and ultimately, enriching the scientific community’s capacity to tackle some of the most pressing and intricate problems in modern science.

Meanwhile, foundation models, trained on vast and diverse datasets, have significantly altered the landscape of computer vision and natural language processing by demonstrating robust adaptability across a multitude of tasks. These models, including prominent examples like GPT-4 for language and CLIP for image-text processing, have revolutionized their respective fields by providing a versatile, pre-trained base that can be fine-tuned for various applications. By leveraging the extensive knowledge encoded in foundation models, researchers are addressing critical challenges such as long-term planning and multi-modal reasoning, which are essential for complex real-world applications like robotics and dialogue systems.

We see an opportunity to collaboratively pursue the integration of AI-for-Science and foundation models, which is emerging as a transformative force in scientific domains. Leveraging foundation models, trained on extensive datasets and capable of multimodal processing, offers a unique opportunity to solve scientific problems and serve as a robust base for further domain-specific adaptations. Thus, the synergy between AI-for-Science and foundation models is poised to radically improve how we model complex phenomena, making it an essential area of investment for future scientific advancements. In contrast with small-scale AI-for-science models or foundation models for traditional domains of computer vision or natural language processing, we see both opportunities and unique challenges in advancing and solving scientific problems through approaches of building and applying foundation models.

Topics

In this workshop, we aim to bring together experts from foundation models and scientific problems, spur discussions, and foster collaborations on broad and transformative questions and challenges (include but not limited to):

  1. Progress.
    • Scalability: Is the scaling law and training strategy of scientific foundation models different from counterparts of NLP and vision?
    • Reusability: Can scientific foundation models be trained for once and adopted in different scenarios?
    • Performance: Can scientific foundation models consistently outperform domain-specific models?
  2. Opportunities.
    • How to make foundation models understand multi-modal scientific inputs and capable of multiple scientific problems?
    • How to accelerate scientific discovery and collection/assimilation of scientific data with foundation models?
    • How to make foundation model compatible and enable integration of classic scientific tools?
  3. Challenges.
    • How to diagnose failure cases or modes that scientific foundation models cannot perform well?
    • How to align scientific foundation models with scientific facts without hallucination?
    • How to quantify the scientific uncertainty of foundation models?

Scientific Domains. We invite paper submissions from various scientific domains, including but not limited to: Astrophysics and Space Science, Biomedicine (e.g., proteins, biosequences, virtual screening), Computational Science (e.g., PDEs, forecasting), Earth Science, Materials Science (e.g., batteries, chemical synthesis), Quantum Mechanics (e.g., nuclear fusion), Small Molecules. Applications-driven submissions focusing on AI-for-Science and Scientific Machine Learning (SciML) are also highly encouraged.

Speakers (A-Z by Last Name)

Shirley Ho

Shirley Ho

Director and Co-Founder, Polymathic AI

Senior Research Scientist + Group Leader, Center for Computational Astrophysics, Flatiron Institute, Simons Foundation

Research Professor of Physics & Senior Research Scientist at Center for Data Science, New York University

Michael Mahoney

Michael Mahoney

Professor, University of California at Berkeley

Vice President, International Computer Science Institute (ICSI)

Group Lead, Machine Learning and Analytics Group, Lawrence Berkeley National Laboratory

Paris Perdikaris

Paris Perdikaris

Associate Professor, University of Pennsylvania

Principal Researcher, Microsoft Research

Danielle Maddix Robinson

Danielle Maddix Robinson

Senior Applied Scientist, AWS AI Labs

Max Welling

Max Welling

CAIO and Co-founder, CuspAI

Research Chair in Machine Learning, University of Amsterdam

Laure Zanna

Laure Zanna

Professor, New York University

Scientific Director and Lead PI, M²LInES

Call for Papers

We provide more submission details: Guidance for FM4Science CFP at NeurIPS 2024.
OpenReview submission portal: https://openreview.net/group?id=NeurIPS.cc/2024/Workshop/FM4Science
Tentative important dates (AoE time):
  • Abstract Submission Deadline: September 10, 2024
  • Paper Submission Deadline: September 13, 2024
  • Review Bidding Period: September 13 - September 18, 2024
  • Review Deadline: October 6, 2024
  • Acceptance/Rejection Notification Date: October 9, 2024
  • Workshop Date: December 14 or 15, 2024

Schedule

All times are in Vancouver Time (GMT-7).

Vancouver Time (GMT-7) Event
8:15-8:30 Opening Remarks
8:30-9:10 Invited Talk: Paris Perdikaris
9:10-9:40 Poster/Break
9:45-10:25 Invited Talk: Michael Mahoney
10:30-11:10 Invited Talk: Laure Zanna
11:15-11:55 Invited Talk: Shirley Ho
12:00-12:30 Contributed Talks
12:30-14:20 Lunch
14:20-15:00 Invited Talk: Max Welling
15:00-15:30 Poster/Break
15:30-16:10 Invited Talk: Danielle Maddix Robinson
16:15-17:00 Contributed Talks and Closing Remarks

Organizers

Wuyang Chen

Wuyang Chen

Assistant Professor, Simon Fraser University

Pu Ren

Pu Ren

Postdoc Fellow, Machine Learning and Analytics Group, Lawrence Berkeley National Lab

Elena Massara

Elena Massara

Independent Researcher (previous: Postdoc Fellow at University of Waterloo)

Yongji Wang

Yongji Wang

Postdoctoral Associate, Courant Institute, NYU

Benjamin Erichson

Benjamin Erichson

Senior Research Scientist and Research Group Leader, International Computer Science Institute (ICSI)

Machine Learning and Analytics Group, Lawrence Berkeley National Lab

Laurence Perreault-Levasseur

Laurence Perreault-Levasseur

Assistant Professor, University of Montreal

Bo Li

Bo Li

Associate Professor, University of Chicago

Swarat Chaudhuri

Swarat Chaudhuri

Professor, The University of Texas at Austin