Masters, Dominic

5 publications

ICLR 2024 Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, Samuel Maddrell-Mander, Callum McLean, Frederik Wenkel, Luis Müller, Jama Hussein Mohamud, Ali Parviz, Michael Craig, Michał Koziarski, Jiarui Lu, Zhaocheng Zhu, Cristian Gabellini, Kerstin Klaser, Josef Dean, Cas Wognum, Maciej Sypetkowski, Guillaume Rabusseau, Reihaneh Rabbany, Jian Tang, Christopher Morris, Mirco Ravanelli, Guy Wolf, Prudencio Tossou, Hadrien Mary, Therence Bois, Andrew W Fitzgibbon, Blazej Banaszewski, Chad Martin, Dominic Masters

TMLR 2023 GPS++: Reviving the Art of Message Passing for Molecular Property Prediction Dominic Masters, Josef Dean, Kerstin Klaeser, Zhiyi Li, Samuel Maddrell-Mander, Adam Sanders, Hatem Helal, Deniz Beker, Andrew W Fitzgibbon, Shenyang Huang, Ladislav Rampášek, Dominique Beaini

NeurIPS 2023 Generating QM1B with PySCF$_{\text{IPU}}$ Alexander Mathiasen, Hatem Helal, Kerstin Klaser, Paul Balanca, Josef Dean, Carlo Luschi, Dominique Beaini, Andrew W. Fitzgibbon, Dominic Masters

ICMLW 2023 Repurposing Density Functional Theory to Suit Deep Learning Alexander Mathiasen, Hatem Helal, Paul Balanca, Kerstin Klaeser, Josef Dean, Carlo Luschi, Dominique Beaini, Andrew W Fitzgibbon, Dominic Masters

NeurIPS 2021 Proxy-Normalizing Activations to Match Batch Normalization While Removing Batch Dependence Antoine Labatie, Dominic Masters, Zach Eaton-Rosen, Carlo Luschi