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Characterizing pre-trained and task-adapted molecular representationsCelia CintasPayel Daset al.2023NeurIPS 2023
Discovery of Novel Reticular Materials for Carbon Dioxide Capture using GFlowNetsFlaviu CipciganJonathan Boothet al.2023NeurIPS 2023
Stochastic FISTA Step Search Algorithm for Convex OptimizationTrang H. TranLam Nguyenet al.2023NeurIPS 2023
Influence Based Approaches to Algorithmic Fairness: A Closer LookSoumya GhoshPrasanna Sattigeriet al.2023NeurIPS 2023
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural NetworkAkihiro KishimotoHiroshi Kajinoet al.2023NeurIPS 2023
Quantum Theory and Application of Contextual Optimal TransportNicola MariellaJannis Bornet al.2023NeurIPS 2023