8 citations · 12 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2020★ 4 cited
Data-Driven Discovery of Molecular Photoswitches with Multioutput Gaussian Processes
Ryan-Rhys Griffiths, Jake L. Greenfield, Aditya R. Thawani +7
Photoswitchable molecules display two or more isomeric forms that may be accessed using light. Separating the electronic absorption bands of these isomers is key to selectively add…
stat.ML2019★ 8 cited
Achieving Robustness to Aleatoric Uncertainty with Heteroscedastic Bayesian Optimisation
Ryan-Rhys Griffiths, Alexander A. Aldrick, Miguel Garcia-Ortegon +2
Bayesian optimisation is a sample-efficient search methodology that holds great promise for accelerating drug and materials discovery programs. A frequently-overlooked modelling co…