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03/14/2023
Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization
Neural-network quantum molecular dynamics (NNQMD) simulations based on m...
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11/07/2021
Quasi-potential theory for escape problem: Quantitative sharpness effect on SGD's escape from local minima
We develop a quantitative theory on an escape problem of a stochastic gr...
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06/23/2021
