Defines Conditional Distribution Matching (CDM) as finding inputs whose induced conditional distributions match a target distribution and proposes the MLGD-F inference-time algorithm using pretrained diffusion models to solve it without retraining.
Automatic chemical design using a data-driven continuous representation of molecules.ACS central science, 4(2):268–276
3 Pith papers cite this work. Polarity classification is still indexing.
3
Pith papers citing it
years
2026 3verdicts
UNVERDICTED 3representative citing papers
SGRPO expands the utility-diversity Pareto frontier in biomolecular design by using supergroup sampling and leave-one-out diversity rewards combined with utility signals.
Generate-Select-Refine is an open-ended Bayesian optimization method that generates tasks and concentrates evaluations on the best one with only logarithmic regret overhead relative to standard single-task optimization.
citing papers explorer
-
Inverse Design for Conditional Distribution Matching
Defines Conditional Distribution Matching (CDM) as finding inputs whose induced conditional distributions match a target distribution and proposes the MLGD-F inference-time algorithm using pretrained diffusion models to solve it without retraining.
-
Pushing Biomolecular Utility-Diversity Frontiers with Supergroup Relative Policy Optimization
SGRPO expands the utility-diversity Pareto frontier in biomolecular design by using supergroup sampling and leave-one-out diversity rewards combined with utility signals.
-
Open-Ended Task Discovery via Bayesian Optimization
Generate-Select-Refine is an open-ended Bayesian optimization method that generates tasks and concentrates evaluations on the best one with only logarithmic regret overhead relative to standard single-task optimization.