From: Splitting chemical structure data sets for federated privacy-preserving machine learning
Fold method | Task size bin lower limit | Fraction below 05 | Fraction label imbalance |
---|---|---|---|
LSH | 10 | 0.90 | 0.35 |
100 | 0.29 | 0.37 | |
1000 | 0.08 | 0.11 | |
10000 | 0.03 | 0.00 | |
100000 | 0.00 | 0.00 | |
Sphere exclusion | 10 | 0.95 | 0.46 |
100 | 0.37 | 0.49 | |
1000 | 0.11 | 0.24 | |
10000 | 0.04 | 0.00 | |
100000 | 0.05 | 0.00 | |
Scaffold network | 10 | 0.96 | 0.58 |
100 | 0.46 | 0.64 | |
1000 | 0.10 | 0.29 | |
10000 | 0.04 | 0.08 | |
100000 | 0.08 | 0.12 | |
Random | 10 | 0.67 | 0.07 |
100 | 0.18 | 0.05 | |
1000 | 0.05 | 0.00 | |
10000 | 0.00 | 0.00 |