HypBO: Accelerating Black-Box Scientific Experiments Using Experts' Hypotheses

1 code implementation • 22 Aug 2023 • Abdoulatif Cisse, Xenophon Evangelopoulos, Sam Carruthers, Vladimir V. Gusev, Andrew I. Cooper

Here, we exploit expert human knowledge in the form of hypotheses to direct Bayesian searches more quickly to promising regions of chemical space.

Bayesian Optimization Bilevel Optimization

Accelerating Laboratory Automation Through Robot Skill Learning For Sample Scraping

no code implementations • 29 Sep 2022 • Gabriella Pizzuto, Hetong Wang, Hatem Fakhruldeen, Bei Peng, Kevin S. Luck, Andrew I. Cooper

Motivated by how human chemists carry out this process of scraping powder from vials, our work proposes a model-free reinforcement learning method for learning a scraping policy, leading to a fully autonomous sample scraping procedure.

SOLIS: Autonomous Solubility Screening using Deep Neural Networks

no code implementations • 18 Mar 2022 • Gabriella Pizzuto, Jacopo de Berardinis, Louis Longley, Hatem Fakhruldeen, Andrew I. Cooper

This can result in researchers spending a significant amount of their time on repetitive tasks, which introduces errors and can prohibit production of statistically relevant data.

Image Segmentation Semantic Segmentation