An adaptive and computationally efficient machine-learning-based biasing technique for rare-event sampling is introduced, allowing an effective generation of high-dimensional free energy surfaces associated with complex processes, such as protein folding.
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Tuckerman, M.E. The curse of dimensionality loses its power. Nat Comput Sci 2, 6–7 (2022). https://doi.org/10.1038/s43588-021-00182-0
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DOI: https://doi.org/10.1038/s43588-021-00182-0
