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 Reinforcement Learning


HitandLeadDiscoverywithExplorativeRLand Fragment-basedMoleculeGeneration

Neural Information Processing Systems

Recently, utilizing reinforcement learning (RL) to generate molecules with desired properties has been highlighted as apromising strategy for drug design.









TheMean-SquaredErrorofDoubleQ-Learning

Neural Information Processing Systems

Our result builds upon an analysis for linear stochastic approximation based on Lyapunov equations and applies to both tabular setting and with linear function approximation, provided thattheoptimal policyisunique andthealgorithms converge.