On the 6th February AI3SD hosted a Molecules, Graphs & AI Workshop at the picturesque Ageas Bowl in Botley. This was a lively workshop with a full day programme. The workshop had three keynote talks from experts across a variety of fields discussing the theory and applications of graphs in scientific research. Alongside the keynote talks there were a series of group discussions and breakout sessions for working group discussions on a number of topics that were selected from initial discussions. These breakout sessions brought together attendees from different backgrounds to discuss some potential applications for graph theory in scientific research as well as some of the more theoretical aspects of the methods.
The Keynote speakers were:
- Professor Mahesan Niranjan, University of Southampton: Inference from Outliers
- Professor Sophia Yaliraki, Imperial College London: Unsupervised, multiscale learning through atomistic graphs: From molecules to systems
- Professor Patrick Fowler, University of Sheffield: Source-and-sink models for molecular conduction
We are currently formalising the report for this event and it will be posted here shortly.