[HTML][HTML] A review and perspective on hybrid modeling methodologies

AM Schweidtmann, D Zhang, M von Stosch - Digital Chemical Engineering, 2024 - Elsevier
The term hybrid modeling refers to the combination of parametric models (typically derived
from knowledge about the system) and nonparametric models (typically deduced from data) …

Generative ai and process systems engineering: The next frontier

B Decardi-Nelson, AS Alshehri, A Ajagekar… - Computers & Chemical …, 2024 - Elsevier
This review article explores how emerging generative artificial intelligence (GenAI) models,
such as large language models (LLMs), can enhance solution methodologies within process …

[HTML][HTML] Formulating data-driven surrogate models for process optimization

R Misener, L Biegler - Computers & Chemical Engineering, 2023 - Elsevier
Recent developments in data science and machine learning have inspired a new wave of
research into data-driven modeling for mathematical optimization of process applications …

Data-driven optimization for process systems engineering applications

D Van De Berg, T Savage, P Petsagkourakis… - Chemical Engineering …, 2022 - Elsevier
Most optimization problems in engineering can be formulated as 'expensive'black box
problems whose solutions are limited by the number of function evaluations. Frequently …

Real-time optimization meets Bayesian optimization and derivative-free optimization: A tale of modifier adaptation

EA del Rio Chanona, P Petsagkourakis… - Computers & Chemical …, 2021 - Elsevier
This paper investigates a new class of modifier-adaptation schemes to overcome plant-
model mismatch in real-time optimization of uncertain processes. The main contribution lies …

Obey validity limits of data-driven models through topological data analysis and one-class classification

AM Schweidtmann, JM Weber, C Wende… - Optimization and …, 2022 - Springer
Data-driven models are becoming increasingly popular in engineering, on their own or in
combination with mechanistic models. Commonly, the trained models are subsequently …

Writing the programs of programmable catalysis

YM Psarellis, ME Kavousanakis, PJ Dauenhauer… - ACS …, 2023 - ACS Publications
It has long been known that non-steady state and periodic catalytic reactor operation in
terms of temperature, pressure, and composition can lead to higher overall productivity …

Learning and optimization under epistemic uncertainty with Bayesian hybrid models

EA Eugene, KD Jones, X Gao, J Wang… - Computers & Chemical …, 2023 - Elsevier
Abstract Hybrid (ie, grey-box) models are a powerful and flexible paradigm for predictive
science and engineering. Grey-box models use data-driven constructs to incorporate …

[HTML][HTML] Computer-aided chemical engineering research advances in precision fermentation

T Vinestock, M Short, K Ward, M Guo - Current Opinion in Food Science, 2024 - Elsevier
Highlights•Precision fermentation can produce a range of bio-molecules.•Fermentation
design depends on process systems engineering tools.•Advanced control approaches can …

[HTML][HTML] Machine learning enabled assessment of the vacuum freeze-drying of the kiwifruit

U Sajjad, F Bibi, I Hussain, N Abbas, M Sultan… - Information Processing …, 2024 - Elsevier
Drying technologies have been essential for extending the shelf-life of perishable fruits and
vegetables for over a century. Vacuum freeze-drying (VFD), though invented over a hundred …