activity
20172020
most citedParallel and Distributed Thompson Sampling for Large-scale Accelerated Exploration of Chemical Space

75 citations · 83 across the 5 of their papers we have counts for

collaborators

8 papers

q-bio.BM20206 cited

Using Bayesian Optimization to Accelerate Virtual Screening for the Discovery of Therapeutics Appropriate for Repurposing for COVID-19

Edward O. Pyzer-Knapp

The novel Wuhan coronavirus known as SARS-CoV-2 has brought almost unprecedented effects for a non-wartime setting, hitting social, economic and health systems hard.~ Being able to…

cs.CR2020

Privacy-Preserving Gaussian Process Regression -- A Modular Approach to the Application of Homomorphic Encryption

Peter Fenner, Edward O. Pyzer-Knapp

Much of machine learning relies on the use of large amounts of data to train models to make predictions. When this data comes from multiple sources, for example when evaluation of…

cs.LG20192 cited

Fully Bayesian Recurrent Neural Networks for Safe Reinforcement Learning

Matt Benatan, Edward O. Pyzer-Knapp

Reinforcement Learning (RL) has demonstrated state-of-the-art results in a number of autonomous system applications, however many of the underlying algorithms rely on black-box pre…

q-bio.GN2019

Combining human cell line transcriptome analysis and Bayesian inference to build trustworthy machine learning models for prediction of animal toxicity in drug development

Laura-Jayne Gardiner, Anna Paola Carrieri, Jenny Wilshaw +3

Biomedical data, particularly in the field of genomics, has characteristics which make it challenging for machine learning applications - it can be sparse, high dimensional and noi…

physics.chem-ph2018

Powerful, transferable representations for molecules through intelligent task selection in deep multitask networks

Clyde Fare, Lukas Turcani, Edward O. Pyzer-Knapp

Chemical representations derived from deep learning are emerging as a powerful tool in areas such as drug discovery and materials innovation. Currently, this methodology has three…

stat.ML2018

Dynamic Control of Explore/Exploit Trade-Off In Bayesian Optimization

Dipti Jasrasaria, Edward O. Pyzer-Knapp

Bayesian optimization offers the possibility of optimizing black-box operations not accessible through traditional techniques. The success of Bayesian optimization methods such as…