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884d247c6f65a96a7da4d1105d584ddd-Supplemental.pdf

Neural Information Processing Systems

To push the boundaries of molecular representation learning, we present PhysChem, a novel neural architecture that learns molecular representations via fusing physical and chemical information of molecules.



WhenCombinatorialThompsonSamplingmeets ApproximationRegret

Neural Information Processing Systems

At each round t N, the agent must select one arm from a fixed set ofn arms, denoted by [n], {1,...,n}, using apolicy, based on the feedback from the previous rounds.


WhenCombinatorialThompsonSamplingmeets ApproximationRegret

Neural Information Processing Systems

At each round t N, the agent must select one arm from a fixed set ofn arms, denoted by [n], {1,...,n}, using apolicy, based on the feedback from the previous rounds.