#PhysicsNEWS @Phytimes Manifolds in commonly used atomic fin | The Physics Times

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Manifolds in commonly used atomic fingerprints lead to failure in machine-learning four-body interactions
Atomic environment fingerprints, or structural descriptors, are used to describe the chemical environment around a reference atom. Encoding information such as bond-lengths to neighboring atoms or coordination numbers, these fingerprints are used, for example, as inputs in machine learning approaches or to eliminate redundant structures in structural searches  
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