Sergey Pozdnyakov

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Sergey Pozdnyakov

Unified theory of atom-centered representations and message-passing machine-learning schemes

Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions" [J. Chem. Phys. 156, 034302 (2022)]

Incompleteness of graph neural networks for points clouds in three dimensions

Unified theory of atom-centered representations and message-passing machine-learning schemes

Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions" [J. Chem. Phys. 156, 034302 (2022)]

Incompleteness of graph neural networks for points clouds in three dimensions