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11/16/2021
Normalizing flows for atomic solids
We present a machine-learning approach, based on normalizing flows, for ...
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02/12/2020
Targeted free energy estimation via learned mappings
Free energy perturbation (FEP) was proposed by Zwanzig more than six dec...
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05/07/2017
Metacontrol for Adaptive Imagination-Based Optimization
Many machine learning systems are built to solve the hardest examples of...
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03/23/2017
Perspective: Energy Landscapes for Machine Learning
Machine learning techniques are being increasingly used as flexible non-...
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11/11/2016