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Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

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Related Experiment Video

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Selecting fitted models under epistemic uncertainty using a stochastic process on quantile functions.

Alexandre René1,2,3, André Longtin4,5,6

  • 1Fakultät 1, RWTH Aachen, Physik, Aachen, Germany. a.rene@physik.rwth-aachen.de.

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Selecting the best scientific model is crucial for reproducibility. This study introduces a new method to estimate model uncertainty, ensuring models are only rejected when another is reproducibly superior, even with non-stationary data.

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Area of Science:

  • Scientific modeling
  • Machine learning
  • Data analysis

Background:

  • Model selection is vital in science, but complex models present challenges when multiple fit data equally well.
  • The primary scientific goal is replicability, requiring models to perform consistently across experiments and labs.
  • Existing model selection criteria may not adequately address variations inherent in replication processes.

Purpose of the Study:

  • To develop a robust nonparametric method for estimating uncertainty in model empirical risk.
  • To ensure model selection prioritizes reproducibility and is insensitive to non-stationary variations.
  • To provide a reliable criterion for choosing models when multiple options exhibit similar performance.

Main Methods:

  • Developed a nonparametric approach to estimate uncertainty on a model's empirical risk.
  • Focused on scenarios with non-stationary replications to ensure robustness.
  • Applied the method to both structurally distinct and parameter-variant models.

Main Results:

  • The proposed method ensures a model is rejected only when another is reproducibly better.
  • Demonstrated favorable comparisons against existing model selection criteria in contexts of replicability.
  • Showcased satisfactory performance with large experimental datasets.

Conclusions:

  • The new method enhances model selection by focusing on epistemic uncertainty and replicability.
  • It offers a more reliable approach than traditional criteria, especially for complex machine learning models.
  • This technique improves the scientific practice of fitting models to data, prioritizing consistent performance.