2 citations · 2 across the 2 of their papers we have counts for
3 papers
Target-Aware Bandit Allocation for Scalable Surrogate Optimization in Chemical Space
Mohammad Haddadnia, Yuvan Chali, Abhilash Jayaraj +4
Identifying high-utility candidates from massive discrete spaces under expensive evaluations is a recurring challenge across the sciences, with structure-based drug discovery as a…
Bayesian Optimization for General Reaction Conditions
Stefan P. Schmid, Ella Miray Rajaonson, Cher Tian Ser +6
General chemical reaction conditions that achieve consistently high performance across multiple substrates are important for practical applications such as library synthesis and hi…
BoTier: Multi-Objective Bayesian Optimization with Tiered Composite Objectives
Mohammad Haddadnia, Leonie Grashoff, Felix Strieth-Kalthoff
Scientific optimization problems are usually concerned with balancing multiple competing objectives, which come as preferences over both the outcomes of an experiment (e.g. maximiz…