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Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00729
Abstract: On the time scales accessible to atomistic numerical modeling, chemical reactions are considered rare events. Therefore, the atomistic simulations are commonly biased along a low-dimensional representation of a chemical reaction in an atomic structure space,…
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Keywords:
constructing collective;
learned representations;
variables using;
collective variables ... See more keywords
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Published in 2021 at "Toxicologic Pathology"
DOI: 10.1177/0192623320987202
Abstract: Several deep learning approaches have been proposed to address the challenges in computational pathology by learning structural details in an unbiased way. Transfer learning allows starting from a learned representation of a pretrained model to…
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Keywords:
classification localization;
learned representations;
biomarker;
histopathology ... See more keywords