\dm_csml_event_details UCL ELLIS

Gaussian processes and active learning: three recent chemistry-related developments


Speaker

David Ginsbourger

Affiliation

University of Bern

Date

Friday, 02 May 2025

Time

12:00-13:00

Location

UCL Centre for Artificial Intelligence, 1st Floor, 90 High Holborn, London WC1V 6BH

Link

https://ucl.zoom.us/j/99748820264

Event series

Jump Trading/ELLIS CSML Seminar Series

Abstract

In this talk, I will give an overview of three different research collaborations pertaining to Gaussian Process modelling and active learning algorithms applied to chemistry-related challenges. In particular, I will present recent work on targeted sequential design for uncovering high-activity molecules under precise and imprecise measurements schemes, and also present fast approaches to encode stochastic equivariances within kernel methods.

Biography

I am heading the Uncertainty Quantification and Spatial Statistics Group and serving as Director of Studies in Statistics at the University of Bern, where I am co-directing the Institute of Mathematical Statistics and Actuarial Science.