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cs.LG2026
BranchIP: Learning Adaptive Equivariant Computation for Interatomic Potentials
Laura Zichi, Gil Harari, Chuin Wei Tan +6
Equivariant machine learning interatomic potentials (MLIPs) have revolutionized atomistic modeling, but accurate treatment of complex materials and molecular systems demands expens…
cs.LG2026
Beyond Adam: SOAP and Muon for Faster, Label-Efficient Training of Machine Learning Interatomic Potentials
Gil Harari, Yoel Zimmermann, Ola Tangen Kulseng +4
Machine learning interatomic potentials (MLIPs) have become a hallmark of AI for scientific simulation. While efforts on new architectures and datasets have led to increasingly acc…