The Well: a Large-Scale Collection of Diverse Physics Simulations for Machine Learning

Part of Advances in Neural Information Processing Systems 37 (NeurIPS 2024) Datasets and Benchmarks Track

Bibtex Paper

Authors

Ruben Ohana, Michael McCabe, Lucas Meyer, Rudy Morel, Fruzsina Agocs, Miguel Beneitez, Marsha Berger, Blakesly Burkhart, Stuart Dalziel, Drummond Fielding, Daniel Fortunato, Jared Goldberg, Keiya Hirashima, Yan-Fei Jiang, Rich Kerswell, Suryanarayana Maddu, Jonah Miller, Payel Mukhopadhyay, Stefan Nixon, Jeff Shen, Romain Watteaux, Bruno Régaldo-Saint Blancard, François Rozet, Liam Parker, Miles Cranmer, Shirley Ho

Abstract

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.