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Bugfix: the predicted uncertainty is not outputed for external test set.
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Xiangyan93 committed Mar 6, 2024
1 parent 47ecfa2 commit c6e0a85
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2 changes: 1 addition & 1 deletion mgktools/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,4 +2,4 @@
# -*- coding: utf-8 -*-


__version__ = '1.1.0'
__version__ = '1.1.1'
2 changes: 2 additions & 0 deletions mgktools/evaluators/cross_validation.py
Original file line number Diff line number Diff line change
Expand Up @@ -235,6 +235,8 @@ def predict(self, X, y: np.ndarray, repr: List[str], y_similar: List[str] = None
'predict': y_pred,
'repr': repr,
}
if y_std is not None:
pred_dict['uncertainty'] = y_std
elif y.ndim == 2:
assert y_pred.ndim == 2
assert y_std is None or y_std.ndim == 2
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