2 papers
cs.LG2026
Can Decision Trees Teach Large Language Models? Distilling Verbalized Knowledge for Molecular Property Prediction
Khiem Le, Sreejata Dey, Marcos MartÃnez Galindo +4
Molecular Property Prediction (MPP) is a fundamental problem in drug discovery that has recently attracted growing attention. Large Language Models (LLMs), known for their impressi…
cs.LG2026
Model synthesis and identifiability analysis of stiff chemical reaction systems with inVAErt networks
Sreejata Dey, Guoxiang Grayson Tong, Jonathan F. MacArt +1
We consider the problem of learning data-driven replicas for stiff systems of ordinary differential equations arising in chemical kinetics that can be evaluated with high computati…