200 citations · 384 across the 13 of their papers we have counts for
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physics.chem-ph2021
Local invertibility and sensitivity of atomic structure-feature mappings
Sergey N. Pozdnyakov, Liwei Zhang, Christoph Ortner +2
The increasingly common applications of machine-learning schemes to atomic-scale simulations have triggered efforts to better understand the mathematical properties of the mapping…
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…