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feat: Add a predict_proba method on SKLearnClassifier #21556

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Closes #21547

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google-cla bot commented Aug 7, 2025

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Summary of Changes

Hello @divakaivan, I'm Gemini Code Assist1! I'm currently reviewing this pull request and will post my feedback shortly. In the meantime, here's a summary to help you and other reviewers quickly get up to speed!

I've implemented a new feature that enhances the SKLearnClassifier wrapper by adding a predict_proba method. This change allows Keras models, when used through the scikit-learn API, to output class probabilities, which is a common requirement for classification tasks and improves compatibility with scikit-learn's ecosystem. This directly addresses the need for probability predictions from wrapped Keras classifiers.

Highlights

  • New predict_proba method for SKLearnClassifier: I've added a new predict_proba method to the SKLearnClassifier class. This method allows users to obtain class probabilities for input samples X, aligning the Keras wrapper more closely with standard scikit-learn classifier interfaces. Internally, it uses sklearn.utils.validation.check_is_fitted to ensure the model has been trained and _validate_data for input validation before calling the underlying Keras model's predict method.
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Code Review

This pull request introduces a predict_proba method to the SKLearnClassifier, enhancing its compatibility with the scikit-learn API. The implementation correctly leverages existing validation and prediction logic. My feedback focuses on improving the docstring of the new method to provide more detailed information about its parameters and return values, aligning it with scikit-learn's documentation standards for better usability.

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codecov-commenter commented Aug 7, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 82.73%. Comparing base (387fbc9) to head (0157175).
⚠️ Report is 4 commits behind head on master.

Additional details and impacted files
@@           Coverage Diff            @@
##           master   #21556    +/-   ##
========================================
  Coverage   82.73%   82.73%            
========================================
  Files         567      567            
  Lines       56352    56461   +109     
  Branches     8805     8823    +18     
========================================
+ Hits        46621    46715    +94     
- Misses       7572     7582    +10     
- Partials     2159     2164     +5     
Flag Coverage Δ
keras 82.54% <100.00%> (+<0.01%) ⬆️
keras-jax 63.82% <100.00%> (-0.06%) ⬇️
keras-numpy 58.30% <60.00%> (-0.06%) ⬇️
keras-openvino 34.64% <60.00%> (+0.04%) ⬆️
keras-tensorflow 64.25% <100.00%> (-0.06%) ⬇️
keras-torch 63.87% <100.00%> (-0.07%) ⬇️

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@@ -278,6 +278,14 @@ def dynamic_model(X, y, loss, layers=[10]):
```
"""

def predict_proba(self, X):
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The problem here is that since the model is configurable, we have no way to know whether the model outputs probabilities or not. This method serves no additional purpose over just predict().

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@divakaivan divakaivan Aug 7, 2025

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@fchollet Could you elaborate, please? I'm not sure I understand your comment. In the case when the user expects probas they will get probas. The only difference between this predict_proba and predict is that the target is not transformed back.

If the user expects probabilities, then they will get them. Although predict_proba might not always return proper probabilities, its inclusion allows users to interoperate with sklearn workflows that expect it. Some examples are in the original issue request.

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Adding a predict_proba method on SKLearnClassifier
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