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06/30/2023
Thompson sampling for improved exploration in GFlowNets
Generative flow networks (GFlowNets) are amortized variational inference...
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09/26/2022
Learning GFlowNets from partial episodes for improved convergence and stability
Generative flow networks (GFlowNets) are a family of algorithms for trai...
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02/07/2022
RECOVER: sequential model optimization platform for combination drug repurposing identifies novel synergistic compounds in vitro
Selecting optimal drug repurposing combinations for further preclinical ...
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12/06/2021
Properties of Minimizing Entropy
Compact data representations are one approach for improving generalizati...
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06/08/2021
Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation
This paper is about the problem of learning a stochastic policy for gene...
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02/16/2021
DEUP: Direct Epistemic Uncertainty Prediction
Epistemic uncertainty is the part of out-of-sample prediction error due ...
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11/25/2020
RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design
De novo molecule generation often results in chemically unfeasible molec...
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04/26/2018