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05/22/2023
Gibbs free energies via isobaric-isothermal flows
We present a machine-learning model based on normalizing flows that is t...
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02/20/2023
Neural Algorithmic Reasoning with Causal Regularisation
Recent work on neural algorithmic reasoning has investigated the reasoni...
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09/22/2022
A Generalist Neural Algorithmic Learner
The cornerstone of neural algorithmic reasoning is the ability to solve ...
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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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11/15/2018