Model for magnetic moment of 2D materials using chemical formula¶
- Description: This is a benchmark to evaluate how accurately an AI model can predict the total magnetic moment of a 2D magnet from chemical formula using the DFT dataset: https://archive.materialscloud.org/record/2019.0020/v1. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy. External links: https://www.nature.com/articles/s41598-020-72811-z
Reference(s): https://doi.org/10.1103/PhysRevMaterials.2.083801, https://epubs.siam.org/doi/abs/10.1137/1.9781611977172.39, https://www.nature.com/articles/s41524-023-01012-9;https://hackingmaterials.lbl.gov/matminer, https://www.nature.com/articles/s41598-018-35934-y, https://dl.acm.org/doi/abs/10.1145/3292500.3330703, https://doi.org/10.1038/s41598-020-72811-z, https://hackingmaterials.lbl.gov/matminer/
Model benchmarks
| Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| BRNet | mag2d_chem | 0.3304 | NorthWestern_University | 226 | 01-14-2023 | CSV, JSON, run.sh, Info |
| matminer_rf | mag2d_chem | 0.3455 | UofT | 226 | 05-22-2023 | CSV, JSON, run.sh, Info |
| matminer_lgbm | mag2d_chem | 0.4261 | Matminer | 226 | 01-14-2023 | CSV, JSON, run.sh, Info |
| ElemNet1 | mag2d_chem | 0.4605 | NorthWestern_University | 226 | 01-14-2023 | CSV, JSON, run.sh, Info |
| IRNet_EF | mag2d_chem | 0.3774 | NorthWestern_University | 226 | 01-14-2023 | CSV, JSON, run.sh, Info |
| ElemNet2_SC | mag2d_chem | 0.4477 | NorthWestern_University | 226 | 01-14-2023 | CSV, JSON, run.sh, Info |
| ElemNet2_TL | mag2d_chem | 0.2997 | NorthWestern_University | 226 | 01-14-2023 | CSV, JSON, run.sh, Info |
| BNet | mag2d_chem | 0.3203 | NorthWestern_University | 226 | 01-14-2023 | CSV, JSON, run.sh, Info |
| matminer_xgboost | mag2d_chem | 0.3472 | UofT | 226 | 05-22-2023 | CSV, JSON, run.sh, Info |
| element_fraction_desc | mag2d_chem | 1.0267 | JARVIS | 226 | 01-14-2023 | CSV, JSON, run.sh, Info |
| cfid_chem | mag2d_chem | 0.4236 | JARVIS | 226 | 01-14-2023 | CSV, JSON, run.sh, Info |