Thermal Expansion (TE) on NMO
0.78AUCFull method (ours)
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| Full method (ours)Representation=GGS, Ablation Components=Transformer, stability mechanisms, descriptors2026.06 | 0.78 | 1.19 | 4.06 | 5 | |
| molGARepresentation=GGS, Genetic Operator=our GA2026.06 | 0.68 | 1.11 | 3.76 | 5 | |
| Genetic GFNRepresentation=GGS2026.06 | 0.63 | 0.91 | 3.59 | 5 | |
| REINVENTRepresentation=GGS2026.06 | 0.44 | 0.62 | 3.28 | 2 | |
| Genetic GFNRepresentation=SMILES, Pre-training Dataset=Synth. Dataset2026.06 | 0.22 | 0.36 | 4.89 | 0 | |
| Genetic GFNRepresentation=SMILES, Pre-training Dataset=ZINC2026.06 | 0.14 | 0.23 | 4.98 | 0 | |
| molGARepresentation=SMILES2026.06 | 0.13 | 0.26 | 4.71 | 1 | |
| REINVENTRepresentation=SMILES, Pre-training Dataset=Synth. Dataset2026.06 | 0.06 | 0.11 | 4.56 | 0 | |
| f-RAGRepresentation=SMILES, Pre-training Dataset=massive pharmaceutical2026.06 | 0 | 0 | 4.08 | 0 | |
| GENMOLRepresentation=SMILES, Pre-training Dataset=massive pharmaceutical2026.06 | 0 | 0 | 4.23 | 0 | |
| REINVENTRepresentation=SMILES, Pre-training Dataset=ZINC2026.06 | 0 | 0.01 | 3.81 | 0 |