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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…
stat.ML2019
Explanations can be manipulated and geometry is to blame
Ann-Kathrin Dombrowski, Maximilian Alber, Christopher J. Anders +3
Explanation methods aim to make neural networks more trustworthy and interpretable. In this paper, we demonstrate a property of explanation methods which is disconcerting for both…