most citedComment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four body interactions"

9 citations · 14 across the 4 of their papers we have counts for

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physics.chem-ph2026

A strategic roadmap for an atomistic machine-learning ecosystem

Jörg Behler, Michele Ceriotti, Cecilia Clementi +47

Data-driven machine learning (ML) techniques have become an essential tool in many domains of science. Their application to atomistic simulations of matter is particularly widespre…

physics.chem-ph2022★ 9 cited

Comment on "Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four body interactions"

Sergey N. Pozdnyakov, Michael J. Willatt, Albert P. Bartók +3

The "quasi-constant" SOAP and ACSF fingerprint manifolds recently discovered by Parsaeifard and Goedecker are a direct consequence of the presence of degenerate pairs of configurat…