78 citations · 78 across the 1 of their papers we have counts for
3 papers
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…
Recursive evaluation and iterative contraction of -body equivariant features
Jigyasa Nigam, Sergey Pozdnyakov, Michele Ceriotti
Mapping an atomistic configuration to an -point correlation of a field associated with the atomic positions (e.g. an atomic density) has emerged as an elegant and effective solu…
On the Completeness of Atomic Structure Representations
Sergey N. Pozdnyakov, Michael J. Willatt, Albert P. Bartók +3
Many-body descriptors are widely used to represent atomic environments in the construction of machine learned interatomic potentials and more broadly for fitting, classification an…