34 citations · 100 across the 25 of their papers we have counts for
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physics.chem-ph2022★ 34 cited
GAUCHE: A Library for Gaussian Processes in Chemistry
Ryan-Rhys Griffiths, Leo Klarner, Henry B. Moss +24
We introduce GAUCHE, a library for GAUssian processes in CHEmistry. Gaussian processes have long been a cornerstone of probabilistic machine learning, affording particular advantag…
cs.LG2022★ 1 cited
Uncertainty-Aware Search Framework for Multi-Objective Bayesian Optimization
Syrine Belakaria, Aryan Deshwal, Nitthilan Kannappan Jayakodi +1
We consider the problem of multi-objective (MO) blackbox optimization using expensive function evaluations, where the goal is to approximate the true Pareto set of solutions while…