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Let user specify test set #938

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Let user specify test set #938

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16 changes: 15 additions & 1 deletion autoemulate/core/compare.py
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Original file line number Diff line number Diff line change
Expand Up @@ -55,6 +55,7 @@ def __init__(
self,
x: InputLike,
y: InputLike,
test_data: tuple[InputLike, InputLike] | None = None,
models: list[type[Emulator] | str] | None = None,
x_transforms_list: list[list[Transform | dict]] | None = None,
y_transforms_list: list[list[Transform | dict]] | None = None,
Expand All @@ -81,6 +82,9 @@ def __init__(
Input features.
y: InputLike or None
Target values (not needed if x is a Dataset).
test_data: tuple[InputLike, InputLike] | None
Optional test data as a tuple (x_test, y_test). If None, a random split
from the provided data is used. Defaults to None.
models: list[type[Emulator]] | None
List of emulator classes to compare. If None, all available emulators
are used.
Expand Down Expand Up @@ -164,7 +168,17 @@ def __init__(
self.models = updated_models
if random_seed is not None:
set_random_seed(seed=random_seed)
self.train_val, self.test = self._random_split(self._convert_to_dataset(x, y))

if test_data is None:
self.train_val, self.test = self._random_split(
self._convert_to_dataset(x, y)
)
else:
self.train_val = self._convert_to_dataset(x, y)
test_x, test_y = self._move_tensors_to_device(
*self._convert_to_tensors(*test_data)
)
self.test = self._convert_to_dataset(test_x, test_y)

# Run the compare method with the provided models
if not self.models:
Expand Down