Glass transition temperature (Tg) prediction on 381-polymer (test)
24.73RMSE (K)Large graph (ours) + globals
Evaluation Results
| Method | Links | |
|---|---|---|
| Large graph (ours) + globalsGraph construction=Large graph (ours) + globals, Encoder=GATv2, SSL=Yes2026.05 | 24.73 | |
| Large graph (ours) + globalsGraph construction=Large graph (ours) + globals, Encoder=GINE, SSL=Yes2026.05 | 24.76 | |
| Repeat-unit + global scalarsGraph construction=Repeat-unit + global scalars, Encoder=GATv2, SSL=Yes2026.05 | 25.52 | |
| Repeat-unit + global scalarsGraph construction=Repeat-unit + global scalars, Encoder=GINE, SSL=Yes2026.05 | 26.08 | |
| Large graph (ours) + globalsGraph construction=Large graph (ours) + globals, Encoder=GATv2, SSL=No2026.05 | 26.96 | |
| Repeat-unit + global scalarsGraph construction=Repeat-unit + global scalars, Encoder=GINE, SSL=No2026.05 | 28.36 | |
| Large graph (ours) + globalsGraph construction=Large graph (ours) + globals, Encoder=GINE, SSL=No2026.05 | 28.4 | |
| Repeat-unit + global scalarsGraph construction=Repeat-unit + global scalars, Encoder=GATv2, SSL=No2026.05 | 28.47 | |
| Topology-only (no chem. feats.)Graph construction=Topology-only (no chem. feats.), Encoder=GINE, SSL=No2026.05 | 36.65 | |
| Topology-only (no chem. feats.)Graph construction=Topology-only (no chem. feats.), Encoder=GATv2, SSL=No2026.05 | 46.76 |