scikit-learn · ogrisel · Jun 26, 2025 · May 29, 2025 · May 29, 2025 · May 30, 2025
diff --git a/doc/modules/array_api.rst b/doc/modules/array_api.rst
@@ -182,29 +182,89 @@ Tools
 Coverage is expected to grow over time. Please follow the dedicated `meta-issue on GitHub
 <https://github.com/scikit-learn/scikit-learn/issues/22352>`_ to track progress.
 
-Type of return values and fitted attributes
--------------------------------------------
+Input and output array type handling
+====================================
 
-When calling functions or methods with Array API compatible inputs, the
-convention is to return array values of the same array container type and
+Estimators and scoring functions are able to accept input arrays
+from different array libraries and/or devices. When a mixed set of input arrays is
+passed, scikit-learn converts arrays as needed to make them all consistent.
+
+For estimators, the rule is **"everything follows `X`"** - mixed array inputs are
+converted so that they all match the array library and device of `X`.
+For scoring functions the rule is **"everything follows `y_pred`"** - mixed array
+inputs are converted so that they all match the array library and device of `y_pred`.
+
+When a function or method has been called with array API compatible inputs, the
+convention is to return arrays from the same array library and on the same
 device as the input data.
 
-Similarly, when an estimator is fitted with Array API compatible inputs, the
-fitted attributes will be arrays from the same library as the input and stored
-on the same device. The `predict` and `transform` method subsequently expect
+Estimators
+----------
+
+When an estimator is fitted with an array API compatible `X`, all other
+array inputs, including constructor arguments, (e.g., `y`, `sample_weight`)
+will be converted to match the array library and device of `X`, if they do not already.
+This behaviour enables switching from processing on the CPU to processing
+on the GPU at any point within a pipeline.
+
+This allows estimators to accept mixed input types, enabling `X` to be moved
+to a different device within a pipeline, without explicitly moving `y`.
+Note that scikit-learn pipelines do not allow transformation of `y` (to avoid
+:ref:`leakage <data_leakage>`).
-This allows estimators to accept mixed input types, enabling `X` to be moved
-to a different device within a pipeline, without explicitly moving `y`.
-Note that scikit-learn pipelines do not allow transformation of `y` (to avoid
-:ref:`leakage <data_leakage>`).
+This behaviour enables pipelines to switch from processing on
+the CPU to processing on the GPU at a specific point in the pipeline.
-This allows estimators to accept mixed input types, enabling `X` to be moved
-to a different device within a pipeline, without explicitly moving `y`.
-Note that scikit-learn pipelines do not allow transformation of `y` (to avoid
-:ref:`leakage <data_leakage>`).
+This behaviour enables pipelines to switch from processing on
+the CPU to processing on the GPU at a specific point in the pipeline.
+
+Take for example a pipeline where `X` and `y` both start on CPU, and go through
+the following three steps:
+
+* :class:`~sklearn.preprocessing.TargetEncoder`, which will transform categorial
+  `X` but also requires `y`, meaning both `X` and `y` need to be on CPU.
+* :class:`FunctionTransformer(func=partial(torch.asarray, device="cuda")) <sklearn.preprocessing.FunctionTransformer>`,
+  which moves `X` to GPU, to improve performance in the next step.
+* :class:`~sklearn.linear_model.Ridge`, whose performance can be improved when
+  passed arrays on a GPU, as they can handle large matrix operations very efficiently.
+
+`X` initially contains categorical string data (thus needs to be on CPU), which is
+target encoded to numerical values in :class:`~sklearn.preprocessing.TargetEncoder`.
+`X` is then explicitly moved to GPU to improve the performance of
+:class:`~sklearn.linear_model.Ridge`. `y` cannot be transformed by the pipeline
+(recall scikit-learn pipelines do not allow transformation of `y`) but as
+:class:`~sklearn.linear_model.Ridge` is able to accept mixed input types,
+this is not a problem and the pipeline is able to be run.
+
+The fitted attributes of an estimator fitted with an array API compatible `X`, will
+be arrays from the same library as the input and stored on the same device.
+The `predict` and `transform` method subsequently expect
 inputs from the same array library and device as the data passed to the `fit`
 method.
 
-Note however that scoring functions that return scalar values return Python
-scalars (typically a `float` instance) instead of an array scalar value.
+Scoring functions
+-----------------
+
+When an array API compatible `y_pred` is passed to a scoring function,
+all other array inputs (e.g., `y_true`, `sample_weight`) will be converted
+to match the array library and device of `y_pred`, if they do not already.
+This allows scoring functions to accept mixed input types, enabling them to be
+used within a :term:`meta-estimator` (or function that accepts estimators), with a
+pipeline that moves input arrays between devices (e.g., CPU to GPU).
+
+For example, to be able to use the pipeline described above within e.g.,
+:func:`~sklearn.model_selection.cross_validate` or
+:class:`~sklearn.model_selection.GridSearchCV`, the scoring function internally
+called needs to be able to accept mixed input types.
+
+The output type of scoring functions depends on the number of output values.
+When a scoring function returns a scalar value, it will return a Python
+scalar (typically a `float` instance) instead of an array scalar value.
+For scoring functions that support :term:`multiclass` or :term:`multioutput`,
+an array from the same array library and device as `y_pred` will be returned when
+multiple values need to be output.
 
 Common estimator checks
 =======================
 
 Add the `array_api_support` tag to an estimator's set of tags to indicate that
-it supports the Array API. This will enable dedicated checks as part of the
+it supports the array API. This will enable dedicated checks as part of the
 common tests to verify that the estimators' results are the same when using
-vanilla NumPy and Array API inputs.
+vanilla NumPy and array API inputs.
 
 To run these checks you need to install
 `array-api-strict <https://data-apis.org/array-api-strict/>`_ in your