TY - JOUR
T1 - Machine learning uncovers analytical kinetic models of bioprocesses
AU - Forster, Tim
AU - Vázquez, Daniel
AU - Müller, Claudio
AU - Guillén-Gosálbez, Gonzalo
N1 - Publisher Copyright:
© 2024 The Author(s)
PY - 2024/12/5
Y1 - 2024/12/5
N2 - Identifying suitable kinetic models for bioprocesses is a complex task, particularly when interpretable models are sought. Classical machine learning algorithms are gaining wide interest to simulate complex bioprocesses that are hard to describe via first principles. However, they often rely on a priori assumptions of the model structure and lead to mathematical expressions that are hard to interpret. In this work, we apply an alternative approach based on symbolic regression to identify bioprocess models without assuming a pre-defined model structure. We obtain algebraic expressions for the kinetic rates from data consisting of concentration profiles. The model training was performed following a two-step approach that allows avoiding the iterative integration of differential equations for the parameter estimation step. The proposed procedure was found from numerical examples to slightly outperform neural network benchmarks. Moreover, the obtained algebraic expressions for the rate equations facilitate the model interpretation and enable the direct application of optimization algorithms.
AB - Identifying suitable kinetic models for bioprocesses is a complex task, particularly when interpretable models are sought. Classical machine learning algorithms are gaining wide interest to simulate complex bioprocesses that are hard to describe via first principles. However, they often rely on a priori assumptions of the model structure and lead to mathematical expressions that are hard to interpret. In this work, we apply an alternative approach based on symbolic regression to identify bioprocess models without assuming a pre-defined model structure. We obtain algebraic expressions for the kinetic rates from data consisting of concentration profiles. The model training was performed following a two-step approach that allows avoiding the iterative integration of differential equations for the parameter estimation step. The proposed procedure was found from numerical examples to slightly outperform neural network benchmarks. Moreover, the obtained algebraic expressions for the rate equations facilitate the model interpretation and enable the direct application of optimization algorithms.
KW - Bioprocess
KW - Optimization
KW - Symbolic regression
UR - http://www.scopus.com/inward/record.url?scp=85202353178&partnerID=8YFLogxK
UR - http://hdl.handle.net/20.500.14342/4620
U2 - 10.1016/j.ces.2024.120606
DO - 10.1016/j.ces.2024.120606
M3 - Article
AN - SCOPUS:85202353178
SN - 0009-2509
VL - 300
JO - Chemical Engineering Science
JF - Chemical Engineering Science
M1 - 120606
ER -