Talks
Summer 2022

Interpretability In Atomic-Scale Machine Learning

Wednesday, June 29th, 2022, 10:00 am10:30 am

Add to Calendar

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.

AttachmentSize
PDF icon ceriotti-berkeley.pdf39.22 MB