Refractive index (Nc) prediction on polymer electronic/optical/physical property dataset (test)
0.098RMSE (Nc)Periodic-TDL
Evaluation results
| Method | Links | |
|---|---|---|
| Periodic-TDLPre-training=PI1M dataset, Architecture=HSMP encoder, Evaluation protocol=five-fold cross-validation2026.05 | 0.098 | |
| polyGNNArchitecture=graph-based, Evaluation protocol=five-fold cross-validation2026.05 | 0.109 | |
| polyBERTArchitecture=sequence-based, Evaluation protocol=five-fold cross-validation2026.05 | 0.113 | |
| TransChemArchitecture=multimodal, Evaluation protocol=five-fold cross-validation2026.05 | 0.114 | |
| TransPolymerArchitecture=sequence-based, Evaluation protocol=five-fold cross-validation2026.05 | 0.117 | |
| MolCLR (GCN)Architecture=graph-based (GCN), Evaluation protocol=five-fold cross-validation2026.05 | 0.118 | |
| MMPolymerArchitecture=multimodal, Evaluation protocol=five-fold cross-validation2026.05 | 0.12 | |
| MolCLR (GIN)Architecture=graph-based (GIN), Evaluation protocol=five-fold cross-validation2026.05 | 0.121 | |
| Morgan (NN)Architecture=fingerprint-based (NN), Evaluation protocol=five-fold cross-validation2026.05 | 0.167 |