Hi everyone,
This week Martin Blood-Forsythe will tell us about his recent work on
machine learning for quantum chemistry. Please see the title and
abstract of his talk below.
See you there,
Felipe Herrera
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*Title:*
"An introduction to machine learning with Gaussian processes"
*Abstract:*
Recent work by the CEP and Samsung teams has shown that Gaussian
processes provide a very powerful tool for learning DFT or TDDFT level
molecular properties from a molecular graph. I will present a tutorial
style introduction to Gaussian processes and discuss some of the
fingerprinting algorithms and similarity measures that we have investigated.
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