456 citations · 955 across the 15 of their papers we have counts for
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stat.ML2023
Generalization within in silico screening
Andreas Loukas, Pan Kessel, Vladimir Gligorijevic +1
In silico screening uses predictive models to select a batch of compounds with favorable properties from a library for experimental validation. Unlike conventional learning paradig…
hep-lat2023
Detecting and Mitigating Mode-Collapse for Flow-based Sampling of Lattice Field Theories
Kim A. Nicoli, Christopher J. Anders, Tobias Hartung +3
We study the consequences of mode-collapse of normalizing flows in the context of lattice field theory. Normalizing flows allow for independent sampling. For this reason, it is hop…