383 citations · 784 across the 9 of their papers we have counts for
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cs.CY2022★ 383 cited
On scientific understanding with artificial intelligence
Mario Krenn, Robert Pollice, Si Yue Guo +9
Imagine an oracle that correctly predicts the outcome of every particle physics experiment, the products of every chemical reaction, or the function of every protein. Such an oracl…
math.OC2022★ 98 cited
Bayesian optimization with known experimental and design constraints for chemistry applications
Riley J. Hickman, Matteo Aldeghi, Florian Häse +1
Optimization strategies driven by machine learning, such as Bayesian optimization, are being explored across experimental sciences as an efficient alternative to traditional design…