The role of feature space in atomistic learning

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The role of feature space in atomistic learning

6 September 2020

Alexander Goscinski

Guillaume Fraux

Michele Ceriotti

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Papers citing "The role of feature space in atomistic learning"

6 / 6 papers shown

Title
Completeness of Atomic Structure Representations M. J. Willatt Sergey Pozdnyakov Christoph Ortner Michele Ceriotti 79 13 0 28 Feb 2023
A smooth basis for atomistic machine learning Filippo Bigi Kevin K. Huguenin-Dumittan Michele Ceriotti D. Manolopoulos 61 6 0 05 Sep 2022
Optimal radial basis for density-based atomic representations Alexander Goscinski Félix Musil Sergey Pozdnyakov Michele Ceriotti 64 18 0 18 May 2021
Ranking the information content of distance measures Aldo Glielmo C. Zeni Bing Cheng Gábor Csányi Alessandro Laio 141 38 0 30 Apr 2021
Improving Sample and Feature Selection with Principal Covariates Regression Rose K. Cersonsky B. Helfrecht Edgar A. Engel Michele Ceriotti 42 33 0 22 Dec 2020
Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning Marcel F. Langer Alex Goessmann M. Rupp AI4CE 73 99 0 26 Mar 2020