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Preferred
(EDT)

4205529 - AI accelerating scientific understanding: Neural operators for learning on function spaces

1:55 PM - 2:25 PM EDT
Wednesday, March 26, 2025Room: Room 28A/B (San Diego Convention Center)
Parent Session
Generative Modeling for Chemistry, Biology, & Material Discovery:
Room: Room 28A/B (San Diego Convention Center)
DIVISION/COMMITTEE: [CINF: Division of Chemical Information] [COMP: Division of Computers in Chemistry]
Credits
0.00 CE
Organizer, Presiders
Oral - In-person
COMP: Division of Computers in Chemistry
CINF: Division of Chemical Information
Overview

Language models have been used for generating new ideas and hypotheses in scientific domains. For instance, language models could suggest new drugs or engineering designs. However, this is not sufficient to attack the hard part of science which is the physical experiments needed to validate the proposed ideas. This is because language models lack physical validity and the ability to internally simulate the processes. Traditional simulation methods are too slow and infeasible for complex processes observed in many scientific domains. We propose AI-based simulation methods that are 4-5 orders of magnitude faster and cheaper than traditional simulations. They are based on Neural Operators which learn mappings between function spaces, and have been successfully applied to weather forecasting, fluid dynamics, carbon capture and storage modeling, and optimized design of medical devices, yielding significant speedups and improvements.