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03/06/2023
DR-Label: Improving GNN Models for Catalysis Systems by Label Deconstruction and Reconstruction
Attaining the equilibrium state of a catalyst-adsorbate system is key to...
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09/15/2022
Multi-Task Mixture Density Graph Neural Networks for Predicting Cu-based Single-Atom Alloy Catalysts for CO2 Reduction Reaction
Graph neural networks (GNNs) have drawn more and more attention from mat...
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12/20/2019
Unsupervised Few-shot Learning via Self-supervised Training
Learning from limited exemplars (few-shot learning) is a fundamental, un...
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07/28/2019
