7.8k citations · 9.3k across the 8 of their papers we have counts for
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cs.LG2021★ 8 cited
Simple GNN Regularisation for 3D Molecular Property Prediction & Beyond
Jonathan Godwin, Michael Schaarschmidt, Alexander Gaunt +5
In this paper we show that simple noise regularisation can be an effective way to address GNN oversmoothing. First we argue that regularisers addressing oversmoothing should both p…
cond-mat.mtrl-sci2021★ 6 cited
Atomistic graph networks for experimental materials property prediction
Tian Xie, Victor Bapst, Alexander L. Gaunt +5
Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Mat…