11 citations · 11 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 11 cited
Highly Accurate Real-space Electron Densities with Neural Networks
Lixue Cheng, P. Bernát Szabó, Zeno Schätzle +7
Variational ab-initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows in principle straightforward extractio…
cs.LG2024
Making Better Use of Unlabelled Data in Bayesian Active Learning
Freddie Bickford Smith, Adam Foster, Tom Rainforth
Fully supervised models are predominant in Bayesian active learning. We argue that their neglect of the information present in unlabelled data harms not just predictive performance…