2 papers
stat.ML2025
Generative Multi-Objective Bayesian Optimization with Scalable Batch Evaluations for Sample-Efficient De Novo Molecular Design
Madhav R. Muthyala, Farshud Sorourifar, Tianhong Tan +2
Designing molecules that must satisfy multiple, often conflicting objectives is a central challenge in molecular discovery. The enormous size of chemical space and the cost of high…
cs.LG2025
SyMANTIC: An Efficient Symbolic Regression Method for Interpretable and Parsimonious Model Discovery in Science and Beyond
Madhav R. Muthyala, Farshud Sorourifar, You Peng +1
Symbolic regression (SR) is an emerging branch of machine learning focused on discovering simple and interpretable mathematical expressions from data. Although a wide-variety of SR…