2 papers
stat.ML2024
Generalization within in silico screening
Andreas Loukas, Pan Kessel, Vladimir Gligorijevic +1
In silico screening uses predictive models to select a batch of compounds with favorable properties from a library for experimental validation. Unlike conventional learning paradig…
cs.LG2024
Physics-Informed Bayesian Optimization of Variational Quantum Circuits
Kim A. Nicoli, Christopher J. Anders, Lena Funcke +7
In this paper, we propose a novel and powerful method to harness Bayesian optimization for Variational Quantum Eigensolvers (VQEs) -- a hybrid quantum-classical protocol used to ap…