equivariant neural networks 1foundation models 1machine-learned interatomic potentials 1materials discovery 1thermal conductivity prediction 1
From the 1 of 2 linked papers with an AI index.
2 papers
physics.comp-ph2026
Fast and Accurate Foundation Models for Equivariant Machine-Learned Interatomic Potentials
Seán R. Kavanagh, Chuin Wei Tan, Menghang Wang +12
The paper presents fast and accurate equivariant machine‑learned interatomic potentials (NequIP and Allegro) as foundation models that scale to ultra‑large datasets while maintaini…
cs.LG2025
An Efficient Sparse Kernel Generator for O(3)-Equivariant Deep Networks
Vivek Bharadwaj, Austin Glover, Aydin Buluc +1
Rotation equivariant graph neural networks, i.e. networks designed to guarantee certain geometric relations between their inputs and outputs, yield state of the art performance on…