A co-trained multifidelity mixture-of-experts MLIP partitions simulations into high- and low-capacity regions, maintains exact energy conservation and bulk modulus alignment, and runs more than twice as fast as a single high-fidelity model on a Pt+CO system.
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon.npj Computational Materials, 7(1):97, June 2021
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Mixture of Experts Framework in Machine Learning Interatomic Potentials for Atomistic Simulations
A co-trained multifidelity mixture-of-experts MLIP partitions simulations into high- and low-capacity regions, maintains exact energy conservation and bulk modulus alignment, and runs more than twice as fast as a single high-fidelity model on a Pt+CO system.