34 citations · 146 across the 19 of their papers we have counts for
7 papers · 1 filter
Gaussian Process Molecule Property Prediction with FlowMO
Henry B. Moss, Ryan-Rhys Griffiths
We present FlowMO: an open-source Python library for molecular property prediction with Gaussian Processes. Built upon GPflow and RDKit, FlowMO enables the user to make predictions…
BOSS: Bayesian Optimization over String Spaces
Henry B. Moss, Daniel Beck, Javier Gonzalez +2
This article develops a Bayesian optimization (BO) method which acts directly over raw strings, proposing the first uses of string kernels and genetic algorithms within BO loops. R…
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…
BOSH: Bayesian Optimization by Sampling Hierarchically
Henry B. Moss, David S. Leslie, Paul Rayson
Deployments of Bayesian Optimization (BO) for functions with stochastic evaluations, such as parameter tuning via cross validation and simulation optimization, typically optimize a…
MUMBO: MUlti-task Max-value Bayesian Optimization
Henry B. Moss, David S. Leslie, Paul Rayson
We propose MUMBO, the first high-performing yet computationally efficient acquisition function for multi-task Bayesian optimization. Here, the challenge is to perform efficient opt…
Scalable Thompson Sampling using Sparse Gaussian Process Models
Sattar Vakili, Henry Moss, Artem Artemev +2
Thompson Sampling (TS) from Gaussian Process (GP) models is a powerful tool for the optimization of black-box functions. Although TS enjoys strong theoretical guarantees and convin…
BOFFIN TTS: Few-Shot Speaker Adaptation by Bayesian Optimization
Henry B. Moss, Vatsal Aggarwal, Nishant Prateek +2
We present BOFFIN TTS (Bayesian Optimization For FIne-tuning Neural Text To Speech), a novel approach for few-shot speaker adaptation. Here, the task is to fine-tune a pre-trained…