Modelling Pharmacokinetic Variability with Physics-Informed Neural Networks

In many studies, individual measurements of a state variable are not reported; instead, summary statistics such as the mean and variance are provided. This is common in pharmacokinetic studies, where concentration–time profiles are often summarized across subjects. To incorporate this aggregated information into parameter estimation, we propose a methodology that leverages Physics-Informed Neural Networks (PINNs) [1] to learn the parameters of a predefined distribution. Our approach compares the differentials of the mean and variance obtained via automatic differentiation of the neural network (NN) with those derived analytically from the underlying ordinary differential equation (ODE) system through sampling, enabling the propagation of inference process.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-12-12
DOI
https://doi.org/10.5281/zenodo.17911983
Primary Topic
Pharmacogenetics and Drug Metabolism
Type
article
Field-Weighted Citation Impact
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article

Modelling Pharmacokinetic Variability with Physics-Informed Neural Networks

Zenodo (CERN European Organization for Nuclear Research)
Pharmacogenetics and Drug Metabolism
article

Modelling Pharmacokinetic Variability with Physics-Informed Neural Networks

article en

Abstract

In many studies, individual measurements of a state variable are not reported; instead, summary statistics such as the mean and variance are provided. This is common in pharmacokinetic studies, where concentration–time profiles are often summarized across subjects. To incorporate this aggregated information into parameter estimation, we propose a methodology that leverages Physics-Informed Neural Networks (PINNs) [1] to learn the parameters of a predefined distribution. Our approach compares the differentials of the mean and variance obtained via automatic differentiation of the neural network (NN) with those derived analytically from the underlying ordinary differential equation (ODE) system through sampling, enabling the propagation of inference process.

Zenodo (CERN European Organization for Nuclear Research)
National Technical University of Athens (GR)
Openalex Percentile: Top 32%
Pharmacogenetics and Drug Metabolism
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