2 papers
quant-ph2024
Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
Yuri Alexeev, Maximilian Amsler, Paul Baity +124
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of e…
cs.LG2024
An adaptive approach to Bayesian Optimization with switching costs
Stefan Pricopie, Richard Allmendinger, Manuel Lopez-Ibanez +3
We investigate modifications to Bayesian Optimization for a resource-constrained setting of sequential experimental design where changes to certain design variables of the search s…