Table 3 Breakdown of budget allocation for HOPV task by TVR-EI.
From: A multi-fidelity machine learning approach to high throughput materials screening
Fidelity | Cost | Average number of samples | Average percentage of budget spent |
|---|---|---|---|
Experiment | 20.0 | 55.0 | 95.3 |
MO6-2X | 2.0 | 1.2 | 0.2 |
B3LYP | 1.75 | 7.9 | 1.2 |
PBE0 | 1.5 | 19.4 | 2.5 |
BP86 | 0.5 | 16.3 | 0.7 |
