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End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems
Linfeng Zhang, Jiequn Han, Han Wang, Wissam Saidi, Roberto Car, Weinan E
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A Linearly Convergent Proximal Gradient Algorithm for Decentralized Optimization
Sulaiman Alghunaim, Kun Yuan, Ali H. Sayed
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Constrained Graph Variational Autoencoders for Molecule Design
Qi Liu, Miltiadis Allamanis, Marc Brockschmidt, Alexander Gaunt
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Found Graph Data and Planted Vertex Covers
Austin R. Benson, Jon Kleinberg
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