Molecular Property Optimization on inhaled drug
0.56Normalized Rewardπ(·|y*)
Evaluation results
| Method | Links | |
|---|---|---|
| π(·|y*)2026.04 | 0.56 | |
| RLRL training budget=20002026.04 | 0.51 | |
| RLRL training budget=10002026.04 | 0.38 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=642026.04 | 0.29 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=322026.04 | 0.28 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=162026.04 | 0.26 | |
| RLRL training budget=5002026.04 | 0.24 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=82026.04 | 0.17 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=42026.04 | 0.06 | |
| Reward Weighted Classifier-Free Guidance (RCFG)Inference-time sampling budget |YS|=22026.04 | -0.04 |