TY - JOUR
T1 - HybridML
T2 - Open source platform for hybrid modeling
AU - Merkelbach, Kilian
AU - Schweidtmann, Artur M.
AU - Müller, Younes
AU - Schwoebel, Patrick
AU - Mhamdi, Adel
AU - Mitsos, Alexander
AU - Schuppert, Andreas
AU - Mrziglod, Thomas
AU - Schneckener, Sebastian
PY - 2022
Y1 - 2022
N2 - 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.
AB - 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.
KW - Hybrid modeling
KW - Machine learning
KW - Modeling tools
KW - Pharmacokinetics
KW - Python
KW - Tensorflow
UR - http://www.scopus.com/inward/record.url?scp=85125443766&partnerID=8YFLogxK
U2 - 10.1016/j.compchemeng.2022.107736
DO - 10.1016/j.compchemeng.2022.107736
M3 - Article
AN - SCOPUS:85125443766
VL - 160
JO - Computers & Chemical Engineering
JF - Computers & Chemical Engineering
SN - 0098-1354
M1 - 107736
ER -