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MultiScale MeshGraphNets


Oct 02, 2022
Meire Fortunato, Tobias Pfaff, Peter Wirnsberger, Alexander Pritzel, Peter Battaglia

* 2nd AI4Science Workshop at the 39th International Conference on Machine Learning (ICML), 2022 

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TF-GNN: Graph Neural Networks in TensorFlow


Jul 07, 2022
Oleksandr Ferludin, Arno Eigenwillig, Martin Blais, Dustin Zelle, Jan Pfeifer, Alvaro Sanchez-Gonzalez, Sibon Li, Sami Abu-El-Haija, Peter Battaglia, Neslihan Bulut, Jonathan Halcrow, Filipe Miguel Gonçalves de Almeida, Silvio Lattanzi, André Linhares, Brandon Mayer, Vahab Mirrokni, John Palowitch, Mihir Paradkar, Jennifer She, Anton Tsitsulin, Kevin Villela, Lisa Wang, David Wong, Bryan Perozzi


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Pre-training via Denoising for Molecular Property Prediction


May 31, 2022
Sheheryar Zaidi, Michael Schaarschmidt, James Martens, Hyunjik Kim, Yee Whye Teh, Alvaro Sanchez-Gonzalez, Peter Battaglia, Razvan Pascanu, Jonathan Godwin


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Transframer: Arbitrary Frame Prediction with Generative Models


Mar 18, 2022
Charlie Nash, João Carreira, Jacob Walker, Iain Barr, Andrew Jaegle, Mateusz Malinowski, Peter Battaglia


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Rediscovering orbital mechanics with machine learning


Feb 04, 2022
Pablo Lemos, Niall Jeffrey, Miles Cranmer, Shirley Ho, Peter Battaglia

* 12 pages, 6 figures, under review 

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Physical Design using Differentiable Learned Simulators


Feb 01, 2022
Kelsey R. Allen, Tatiana Lopez-Guevara, Kimberly Stachenfeld, Alvaro Sanchez-Gonzalez, Peter Battaglia, Jessica Hamrick, Tobias Pfaff

* First three authors contributed equally 

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Learned Coarse Models for Efficient Turbulence Simulation


Jan 04, 2022
Kimberly Stachenfeld, Drummond B. Fielding, Dmitrii Kochkov, Miles Cranmer, Tobias Pfaff, Jonathan Godwin, Can Cui, Shirley Ho, Peter Battaglia, Alvaro Sanchez-Gonzalez


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Constraint-based graph network simulator


Dec 16, 2021
Yulia Rubanova, Alvaro Sanchez-Gonzalez, Tobias Pfaff, Peter Battaglia


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Learning ground states of quantum Hamiltonians with graph networks


Oct 12, 2021
Dmitrii Kochkov, Tobias Pfaff, Alvaro Sanchez-Gonzalez, Peter Battaglia, Bryan K. Clark

* 19 pages, 9 figures 

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