HybridML

Open source platform for hybrid modeling

Journal Article (2022)
Author(s)

Kilian Merkelbach (RWTH Aachen University)

Artur M. Schweidtmann (RWTH Aachen University)

Younes Müller (RWTH Aachen University)

Patrick Schwoebel (Applied Mathematics, Leverkusen)

Adel Mhamdi (RWTH Aachen University)

Alexander Mitsos (RWTH Aachen University)

Andreas Schuppert (RWTH Aachen University)

Thomas Mrziglod (Applied Mathematics, Leverkusen)

Sebastian Schneckener (Applied Mathematics, Leverkusen)

Affiliation
External organisation
DOI related publication
https://doi.org/10.1016/j.compchemeng.2022.107736 Final published version
More Info
expand_more
Publication Year
2022
Language
English
Affiliation
External organisation
Volume number
160
Article number
107736
Downloads counter
262

Abstract

Hybrid modelling, i.e., the combination of data-driven modelling with mechanistic model components, reduces the data demand and enables extrapolation of data-driven models. However, building, training and evaluation of hybrid models is cumbersome with current frameworks. We developed HybridML, an open-source modeling platform, in which hybrid models can be trained, i.e., combinations of artificial neural networks, arithmetic expressions, and differential equations. We employ TensorFlow for artificial neural network training and Casadi to integrate ordinary differential equations and provide gradients of differential model equations enabling continuous time representations. HybridML provides also a JSON interface for the model development. We apply HybridML to an industrial case study, in which the trained model is used to predict drug concentrations over time, based on physiological information about the patients. To demonstrate its versatility, we also present a nonlinear application, where HybridML is used to model the spread of the COVID-19 pandemic in German federal states based on the state's socio-economic attributes.