Table 3. Ablation Study on USPTO-50k with Reaction Class Unknown.
| strategies |
Top-k accuracy (%) |
|||||
|---|---|---|---|---|---|---|
| node alignment | data augmentation | graph features | 1 | 3 | 5 | 10 |
| √ | √ | √ | 55.1 | 76.9 | 83.4 | 89.9 |
| √ | √ | × | 54.1 | 75.9 | 82.6 | 88.8 |
| √ | × | √ | 49.2 | 69.2 | 75.3 | 80.4 |
| × | √ | √ | 46.1 | 47.6 | 48.5 | 49.9 |
| × | × | √ | 40.3 | 54.9 | 58.9 | 62.6 |