Paper ID: 2405.04161

Opportunities for machine learning in scientific discovery

Ricardo Vinuesa, Jean Rabault, Hossein Azizpour, Stefan Bauer, Bingni W. Brunton, Arne Elofsson, Elias Jarlebring, Hedvig Kjellstrom, Stefano Markidis, David Marlevi, Paola Cinnella, Steven L. Brunton

Technological advancements have substantially increased computational power and data availability, enabling the application of powerful machine-learning (ML) techniques across various fields. However, our ability to leverage ML methods for scientific discovery, {\it i.e.} to obtain fundamental and formalized knowledge about natural processes, is still in its infancy. In this review, we explore how the scientific community can increasingly leverage ML techniques to achieve scientific discoveries. We observe that the applicability and opportunity of ML depends strongly on the nature of the problem domain, and whether we have full ({\it e.g.}, turbulence), partial ({\it e.g.}, computational biochemistry), or no ({\it e.g.}, neuroscience) {\it a-priori} knowledge about the governing equations and physical properties of the system. Although challenges remain, principled use of ML is opening up new avenues for fundamental scientific discoveries. Throughout these diverse fields, there is a theme that ML is enabling researchers to embrace complexity in observational data that was previously intractable to classic analysis and numerical investigations.

Submitted: May 7, 2024