30 citations · 39 across the 8 of their papers we have counts for
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cs.LG2024★ 1 cited
Self-supervised learning for crystal property prediction via denoising
Alexander New, Nam Q. Le, Michael J. Pekala +1
Accurate prediction of the properties of crystalline materials is crucial for targeted discovery, and this prediction is increasingly done with data-driven models. However, for man…
cs.LG2022
Curvature-informed multi-task learning for graph networks
Alexander New, Michael J. Pekala, Nam Q. Le +3
Properties of interest for crystals and molecules, such as band gap, elasticity, and solubility, are generally related to each other: they are governed by the same underlying laws…