3 papers
cs.LG2026
UMA: A Family of Universal Models for Atoms
Brandon M. Wood, Misko Dzamba, Xiang Fu +15
The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science includi…
cs.AI2025
What Does It Take to Be a Good AI Research Agent? Studying the Role of Ideation Diversity
Alexis Audran-Reiss, Jordi Armengol-Estapé, Karen Hambardzumyan +17
AI research agents offer the promise to accelerate scientific progress by automating the design, implementation, and training of machine learning models. However, the field is stil…
cs.LG2025
Does equivariance matter at scale?
Johann Brehmer, Sönke Behrends, Pim de Haan +1
Given large datasets and sufficient compute, is it beneficial to design neural architectures for the structure and symmetries of each problem? Or is it more efficient to learn them…