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Found 2 papers, 1 papers with code
Enhanced Sampling with Machine Learning: A Review
Molecular dynamics (MD) enables the study of physical systems with excellent spatiotemporal resolution but suffers from severe time-scale limitations.
Thermodynamics-inspired Explanations of Artificial Intelligence
To demonstrate the wide-ranging applicability of TERP, we successfully employ it to explain various black-box model architectures, including deep learning Autoencoders, Recurrent Neural Networks, and Convolutional Neural Networks, across diverse domains such as molecular simulations, text, and image classification.
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