A reproducing kernel framework for interpretable parameter estimation and learning in dynamical systems

In this work, we investigate a suite of explainable machine learning models -- including Kernel Ridge Regression, Gaussian Process Regression, Convolutional Neural Networks, and Multi-Layer Perceptrons -- for parameter inference in systems of differential equations. By combining these models with explainability techniques such as SHapley Additive exPlanations, we extract explicit feature-to-parameter mappings, offering deeper insight into the inference process. Building on these insights, we propose lightweight, hand-engineered estimators that approximate parameter estimation tasks without requiring complex optimization. Additionally, we introduce a systematic methodology for dataset generation, incorporating time-series simulation and diverse feature extraction. Our results demonstrate that explainability-driven modeling can achieve accurate, interpretable, and computationally efficient parameter estimation, offering a new perspective on the integration of machine learning with domain-specific modeling.

Authors

Publication Details

Journal
Annales Universitatis Scientiarum Budapestinensis de Rolando Eötvös Nominatae Sectio computatorica
Published
2025-01-01
DOI
https://doi.org/10.71352/ac.58.030825
Primary Topic
Model Reduction and Neural Networks
Type
article
Field-Weighted Citation Impact
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article

A reproducing kernel framework for interpretable parameter estimation and learning in dynamical systems

Sándor Kovács, Gergő Tóth
Annales Universitatis Scientiarum Budapestinensis de Rolando Eötvös Nominatae Sectio computatorica
Model Reduction and Neural Networks
article

A reproducing kernel framework for interpretable parameter estimation and learning in dynamical systems

Sándor Kovács, Gergő Tóth
article en

Abstract

In this work, we investigate a suite of explainable machine learning models -- including Kernel Ridge Regression, Gaussian Process Regression, Convolutional Neural Networks, and Multi-Layer Perceptrons -- for parameter inference in systems of differential equations. By combining these models with explainability techniques such as SHapley Additive exPlanations, we extract explicit feature-to-parameter mappings, offering deeper insight into the inference process. Building on these insights, we propose lightweight, hand-engineered estimators that approximate parameter estimation tasks without requiring complex optimization. Additionally, we introduce a systematic methodology for dataset generation, incorporating time-series simulation and diverse feature extraction. Our results demonstrate that explainability-driven modeling can achieve accurate, interpretable, and computationally efficient parameter estimation, offering a new perspective on the integration of machine learning with domain-specific modeling.

Annales Universitatis Scientiarum Budapestinensis de Rolando Eötvös Nominatae Sectio computatoricaVol. 58
Openalex Percentile: Top 84%
Model Reduction and Neural Networks
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