Machine learning in chemical engineering: A perspective

AM Schweidtmann, E Esche, A Fischer… - Chemie Ingenieur …, 2021 - Wiley Online Library
The transformation of the chemical industry to renewable energy and feedstock supply
requires new paradigms for the design of flexible plants,(bio‐) catalysts, and functional …

Tree ensemble kernels for Bayesian optimization with known constraints over mixed-feature spaces

A Thebelt, C Tsay, R Lee… - Advances in …, 2022 - proceedings.neurips.cc
Tree ensembles can be well-suited for black-box optimization tasks such as algorithm tuning
and neural architecture search, as they achieve good predictive performance with little or no …

Efficient Bayesian inference using adversarial machine learning and low-complexity surrogate models

J Na, JH Bak, NV Sahinidis - Computers & Chemical Engineering, 2021 - Elsevier
Bayesian inference is a key method for estimating parametric uncertainty from data.
However, most Bayesian inference methods require the explicit likelihood function or many …

Optimization over decision trees: a case study for the design of stable direct-current electricity networks

D Gutina, A Bärmann, G Roeder… - Optimization and …, 2023 - Springer
In many real-world mixed-integer optimization problems from engineering, the side
constraints can be subdivided into two categories: constraints which describe a certain logic …

Leveraged least trimmed absolute deviations

N Sudermann-Merx, S Rebennack - OR Spectrum, 2021 - Springer
The design of regression models that are not affected by outliers is an important task which
has been subject of numerous papers within the statistics community for the last decades …

Benchmarking of Surrogate Models for the Conceptual Process Design of Biorefineries

NI Vollmer, R Al, G Sin - Computer Aided Chemical Engineering, 2021 - Elsevier
Surrogate models are an efficient method to expedite the process design by superstructure
optimization. For their application in biorefineries' process design, several surrogate models …

[PDF][PDF] Global optimization of processes through machine learning

AM Schweidtmann - 2021 - scholar.archive.org
Global optimization of processes through machine learning Page 1 Global Optimization of
Processes through Machine Learning Globale Prozessoptimierung durch maschinelles Lernen …