Events Calendar

Global Optimization with Hybrid Mechanistic/Data-driven Models Embedded

Tuesday, October 5, 2021
9:30 am - 10:30 am

Location: Zoom

Audience: McKetta Department of Chemical Engineering graduate students, faculty and staff


We present on theory, algorithms and applications of reduced-space formulations for the deterministic global optimization with hybrid mechanistic/data-driven models embedded. Within the broader scope of digitalization of the (bio)chemical industry, surrogate models are gaining increasing attention. We first discuss the need for hybrid modeling combining the best of both mechanistic and data-driven models. We present our work in this direction both from the software and algorithmic development side. We discuss our "Machine Learning Models for Optimization (MeLOn)" toolbox that enables integration of data-driven models to optimization problems. These problems are then solved in reduced space by our deterministic global optimization software "McCormick-based Algorithm for mixed-integer Nonlinear Global Optimization (MAiNGO)". We discuss in detail artificial neural networks, gaussian processes and Hammerstein-Wiener models. We demonstrate the advantages of our proposed approach for problems from process systems engineering, in particular from flowsheet optimization.


Prof. Mitsos is the Director Process Systems Engineering in RWTH (AVT.SVT) and of Energy Systems Engineering at Forschungsentrum Juelich (IEK-10). He received his Dipl-Ing from Karlsruhe and his Ph.D. from MIT, both in Chemical Engineering. Prior appointments include a junior research group leader position in RWTH and the Rockwell International Assistant Professorship at MIT. Mitsos' research focuses on optimization of energy and chemical systems and development of enabling numerical algorithms.

Speaker: Dr. Alexander Mitsos, Professor, RWTH Aachen University