Intern-S1-mini Oral Bioavailability Assay Transfer v27 L2
Best validation checkpoint from record-level assay-transfer training on the L2
oral bioavailability dataset. The dataset was pinned to revision
fecee3c43fe00d264fd7cbfbbcc82c6eb18379a6.
Training
- Selected checkpoint: step 500
- Training stopped after step 580 (4.5 of 10 planned epochs)
- Device batch size: 4 on 8 GPUs
- Gradient accumulation: 4
- Attention: FlashAttention 2
- Packing: padding-free BFD packing
- Selection metric: joint ID/OOD level-macro KNN regression MAE@3
Validation at the selected checkpoint
| Metric | Value |
|---|---|
| Joint ID/OOD MAE@3 | 0.7386 |
| ID MAE@3 | 0.9007 |
| OOD MAE@3 | 0.5765 |
| Spearman@3 | 0.0816 |
| Top1@3 | 0.2231 |
Held-out test comparison
The v27 L2 test panel contains 500 ID queries. Lower is better for MAE; higher is better for the other metrics.
| Ranker | MAE@3 | MAE@5 | Spearman | Spearman@3 | Top1@3 | NDCG@3 |
|---|---|---|---|---|---|---|
| Model | 0.7043 | 0.6953 | 0.3741 | 0.0075 | 0.1880 | 0.4030 |
| Morgan vanilla | 0.8312 | 0.8003 | 0.0205 | 0.0522 | 0.1140 | 0.3018 |
| Morgan weighted | 0.8302 | 0.8127 | 0.0412 | 0.0353 | 0.1040 | 0.3066 |
The model reduces MAE@3 by 15.3% versus vanilla Morgan and 15.2% versus weighted Morgan. Full per-query, per-bucket, and subgroup metrics are tracked in the associated W&B evaluation run.