Challenges in Non-Polymeric Crystal Structure Prediction: Why a Geometric, Permutation-Invariant Loss is Needed

Fuente: arXiv

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Bibliographic Details
Main Authors:	Jehanno, Emmanuel, Menegaux, Romain, Mairal, Julien, Grudinin, Sergei
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Materials Science
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2509.00832