2 papers
cs.LG2025
POLO: Preference-Guided Multi-Turn Reinforcement Learning for Lead Optimization
Ziqing Wang, Yibo Wen, William Pattie +6
Lead optimization in drug discovery requires efficiently navigating vast chemical space through iterative cycles to enhance molecular properties while preserving structural similar…
stat.ML2024
SMART: A Flexible Approach to Regression using Spline-Based Multivariate Adaptive Regression Trees
William Pattie, Arvind Krishna
Decision trees are powerful for predictive modeling but often suffer from high variance when modeling continuous relationships. While algorithms like Multivariate Adaptive Regressi…