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GPS++: Reviving the Art of Message Passing for Molecular Property Prediction


Feb 06, 2023
Dominic Masters, Josef Dean, Kerstin Klaser, Zhiyi Li, Sam Maddrell-Mander, Adam Sanders, Hatem Helal, Deniz Beker, Andrew Fitzgibbon, Shenyang Huang, Ladislav Ramp√°Ň°ek, Dominique Beaini

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* arXiv admin note: text overlap with arXiv:2212.02229 

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Task-Agnostic Graph Neural Network Evaluation via Adversarial Collaboration


Jan 27, 2023
Xiangyu Zhao, Hannes Stärk, Dominique Beaini, Pietro Liò, Yiren Zhao

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* Preprint. Under review. 13 pages, 4 figures, 2 tables 

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GPS++: An Optimised Hybrid MPNN/Transformer for Molecular Property Prediction


Dec 06, 2022
Dominic Masters, Josef Dean, Kerstin Klaser, Zhiyi Li, Sam Maddrell-Mander, Adam Sanders, Hatem Helal, Deniz Beker, Ladislav Ramp√°Ň°ek, Dominique Beaini

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Long Range Graph Benchmark


Jun 16, 2022
Vijay Prakash Dwivedi, Ladislav Ramp√°Ň°ek, Mikhail Galkin, Ali Parviz, Guy Wolf, Anh Tuan Luu, Dominique Beaini

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* The benchmark is open-sourced at: https://github.com/vijaydwivedi75/lrgb 

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Recipe for a General, Powerful, Scalable Graph Transformer


May 25, 2022
Ladislav Ramp√°Ň°ek, Mikhail Galkin, Vijay Prakash Dwivedi, Anh Tuan Luu, Guy Wolf, Dominique Beaini

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3D Infomax improves GNNs for Molecular Property Prediction


Oct 08, 2021
Hannes St√§rk, Dominique Beaini, Gabriele Corso, Prudencio Tossou, Christian Dallago, Stephan G√ľnnemann, Pietro Li√≤

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* https://github.com/HannesStark/3DInfomax 

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Rethinking Graph Transformers with Spectral Attention


Jun 09, 2021
Devin Kreuzer, Dominique Beaini, William L. Hamilton, Vincent Létourneau, Prudencio Tossou

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Directional Graph Networks


Oct 06, 2020
Dominique Beaini, Saro Passaro, Vincent Létourneau, William L. Hamilton, Gabriele Corso, Pietro Liò

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* 8 pages, 10 pages appendix, 6 figures, subtitle: Anisotropic aggregation in graph neural networks via directional vector fields 

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Principal Neighbourhood Aggregation for Graph Nets


Apr 12, 2020
Gabriele Corso, Luca Cavalleri, Dominique Beaini, Pietro Li√≤, Petar Velińćkovińá

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