Change the target properties¶
A different value¶
generation:
targets:
- {band_gap: 1.2}
- {band_gap: 1.8} # each entry is its own search
A different kind of goal¶
loss says how a prediction is compared with the target:
loss |
meaning | typical use |
|---|---|---|
l2 |
squared distance (default) | hit a value |
l1 |
absolute distance | hit a value, less sensitive to outliers |
at_most |
only values above the target are penalised | formation enthalpy ≤ −0.1 eV/atom |
at_least |
only values below are penalised | dielectric constant ≥ 20 |
objectives:
- {property: band_gap, loss: l2, weight: 10000, select_weight: 1.0}
- {property: enthalpy, loss: at_most, weight: 6000, select_weight: 0.4}
weight acts during the latent search; select_weight when ranking finished candidates.
A different property¶
The model knows the properties it was trained on (meidnet info model.pt lists them). To steer a property that
is not in the model, add it to the data and retrain.
In the Studio¶
Drag the target slider; the predicted-closest table and the scatter update at once, and a warning appears if the target lies outside the training range. Export the YAML when you are happy.