Talks
Summer 2022

Interpretability In Atomic-Scale Machine Learning
Wednesday, Jun. 29, 2022 10:00 am – 10:30 am PDT
Speaker:
Michele Ceriotti (Swiss Federal Institute of Technology in Lausanne) [REMOTE]
Location:
Calvin Lab Auditorium
I will provide a brief overview of some of the established frameworks used to apply machine-learning techniques to the atomistic modeling of matter, and in particular to the construction of surrogate models for quantum mechanical calculations. I will focus in particular on the construction of physics-aware descriptors of the atomic structure - based on symmetrized correlations of the atom density - and how they facilitate the interpretation of regression and classification models based on them.
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