SOAP and SOAP-Muon optimizers deliver faster convergence and higher final accuracy than Adam for NequIP and Allegro MLIPs, with the largest gains under partial force supervision.
An efficient sparse kernel generator for O(3)-equivariant deep networks
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Beyond Adam: SOAP and Muon for Faster, Label-Efficient Training of Machine Learning Interatomic Potentials
SOAP and SOAP-Muon optimizers deliver faster convergence and higher final accuracy than Adam for NequIP and Allegro MLIPs, with the largest gains under partial force supervision.