2 papers
cs.LG2026
Bridging Chemists and AI: An Expert-Augmented Framework for Interpretable Route Evaluation
Yujia Guo, Mikhail Kabeshov, Tat Hong Duong Le +6
Selecting efficient multi-step synthetic routes is a central challenge in organic synthesis, particularly in medicinal and process chemistry, where route choice directly impacts fe…
stat.ML2025
Amortized Bayesian Experimental Design for Decision-Making
Daolang Huang, Yujia Guo, Luigi Acerbi +1
Many critical decisions, such as personalized medical diagnoses and product pricing, are made based on insights gained from designing, observing, and analyzing a series of experime…