200 citations · 384 across the 13 of their papers we have counts for
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stat.ML2022★ 3 cited
Incompleteness of graph neural networks for points clouds in three dimensions
Sergey N. Pozdnyakov, Michele Ceriotti
Graph neural networks (GNN) are very popular methods in machine learning and have been applied very successfully to the prediction of the properties of molecules and materials. Fir…
stat.ML2021★ 22 cited
Optimal radial basis for density-based atomic representations
Alexander Goscinski, Félix Musil, Sergey Pozdnyakov +1
The input of almost every machine learning algorithm targeting the properties of matter at the atomic scale involves a transformation of the list of Cartesian atomic coordinates in…