2024
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions.
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Future Gener. Comput. Syst., 2024

An adaptive approach to Bayesian Optimization with switching costs.
CoRR, 2024

An Adaptive Approach to Bayesian Optimization with Setup Switching Costs.
Proceedings of the Parallel Problem Solving from Nature - PPSN XVIII, 2024

Bayesian Optimization with Setup Switching Cost.
Proceedings of the Genetic and Evolutionary Computation Conference Companion, 2024

MANDREL: Modular Reinforcement Learning Pipelines for Material Discovery.
Proceedings of the Thirty-Eighth AAAI Conference on Artificial Intelligence, 2024

2022
A Principled Method for the Creation of Synthetic Multi-fidelity Data Sets.
CoRR, 2022

Expensive optimization with production-graph resource constraints: a first look at a new problem class.
Proceedings of the GECCO '22: Genetic and Evolutionary Computation Conference, Boston, Massachusetts, USA, July 9, 2022

2020
Modelling Mobile Signal Strength by Combining Geospatial Big Data and Artificial Intelligence.
Proceedings of the ICVISP 2020: 4th International Conference on Vision, 2020

2018
Powerful, transferable representations for molecules through intelligent task selection in deep multitask networks.
CoRR, 2018

2017
PyLDM - An open source package for lifetime density analysis of time-resolved spectroscopic data.
PLoS Comput. Biol., 2017