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FEAT: Free energy Estimators with Adaptive Transport

He, Jiajun et al.
arXiv (All) · Papers
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chemical-physicscomputational-physicsmachine-learning
We present Free energy Estimators with Adaptive Transport (FEAT), a novel framework for free energy estimation -- a critical challenge across scientific domains. FEAT leverages learned transports implemented via stochastic interpolants and provides consistent, minimum-variance estimators based on es
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