Related publications (174)

Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning

Philippe Schwaller, Jeff Guo

Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal calls to oracles (computational property predictors). This problem becomes more apparen ...
Amer Chemical Soc2024

Stochastic Models for Comparison-based Search

Daniyar Chumbalov

In this thesis we study a problem of searching in a space of objects using comparisons. To navigate through the space to the target object tt, we ask a sequence of questions of the form ``which object ii or jj is closer to tt?'' for which we observe no ...
EPFL2023

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