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External validation of machine learning models with adaptive sample splitting

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AdaptiveSplit

A Scikit-Learn compatible Adaptive training-validation split during prospective data acquisition to improve the development and external validation of predictive models.

Scikit-Learn example usage:

from adaptivesplit.sklearn_interface.split import AdaptiveSplit

X = "your predictors here"
y = "your target here"

model = "an sklearn estimator"

adsplit = AdaptiveSplit(total_sample_size=len(y), plotting=True)
res, fig = adsplit(X, y, model, fast_mode=True, predict=False, random_state=42)
stop = res.estimated_stop

This prints out the results and plots the learning and power curves. An extended, working example can be found in "notebooks/example.ipynb"

Documentation

The package documentation is available in "docs/_build/html/index.html".

Concept

You can find an extensive illustration of the concept behind the AdaptiveSplit package in our preprint here. The paper also describes why AdaptiveSplit is preferable to a fixed data splitting strategy (e.g pareto split).

The concept, in short, is shown by the image below: alt text The "adaptive splitting design" for prospective predictive modeling studies: (A) show a normal study pre-registration, the model with its parameters is first pre-registered, then trained and validated. (B) With AdaptiveSplit, the model is trained to fix its parameters and the training sample size, then it is registered and subsequently acquired data is used for external validation.

Phases of a prospective study with AdaptiveSplit:

  • The study starts by pre-registering the stopping rule (C),
  • During the training phase, candidate models are trained and the splitting rule is repeatedly evaluated, as the data acquisition proceeds (R1)
  • When the splitting rule activates, the model is finalized using the training samples (R2)
  • Finally, data acquisition continues and the prospective external validation is performed on the newly acquired data.

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