[HTML][HTML] Maximizing information from chemical engineering data sets: Applications to machine learning

A Thebelt, J Wiebe, J Kronqvist, C Tsay… - Chemical Engineering …, 2022 - Elsevier
It is well-documented how artificial intelligence can have (and already is having) a big
impact on chemical engineering. But classical machine learning approaches may be weak …

OMLT: Optimization & machine learning toolkit

F Ceccon, J Jalving, J Haddad, A Thebelt… - Journal of Machine …, 2022 - jmlr.org
The optimization and machine learning toolkit (OMLT) is an open-source software package
incorporating neural network and gradient-boosted tree surrogate models, which have been …

Bio-high entropy alloys: Progress, challenges, and opportunities

J Feng, Y Tang, J Liu, P Zhang, C Liu… - … in Bioengineering and …, 2022 - frontiersin.org
With the continuous progress and development in biomedicine, metallic biomedical
materials have attracted significant attention from researchers. Due to the low compatibility …

[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 …

[HTML][HTML] Combining multi-fidelity modelling and asynchronous batch Bayesian Optimization

JP Folch, RM Lee, B Shafei, D Walz, C Tsay… - Computers & Chemical …, 2023 - Elsevier
Bayesian Optimization is a useful tool for experiment design. Unfortunately, the classical,
sequential setting of Bayesian Optimization does not translate well into laboratory …

Development of surrogate models for evaluating energy transfer quality of high-speed railway pantograph-catenary system using physics-based model and machine …

G Huang, G Wu, Z Yang, X Chen, W Wei - Applied Energy, 2023 - Elsevier
High-speed railway pantograph-catenary system is the only energy transfer pathway to drive
a train operation. Energy transfer quality deteriorates with the increasing train speed and …

Data security of machine learning applied in low-carbon smart grid: A formal model for the physics-constrained robustness

Z Zhang, Z Yang, DKY Yau, Y Tian, J Ma - Applied Energy, 2023 - Elsevier
Towards the low-carbon goal, a smart grid features remote connection, data sharing, and
cyber–physical integration to increase the flexibility of energy supplies, to reduce electricity …

Surrogate-assisted hybrid evolutionary algorithm with local estimation of distribution for expensive mixed-variable optimization problems

Y Liu, H Wang - Applied Soft Computing, 2023 - Elsevier
Some real-world design optimization problems can be formulated as expensive mixed-
variable optimization problems (EMVOPs), which involve both continuous and discrete …

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 …

Demand response scheduling using derivative-based dynamic surrogate models

A Di Pretoro, B Bruns, S Negny, M Grünewald… - Computers & Chemical …, 2022 - Elsevier
When assessing demand response to solve optimal scheduling problems, the optimization
algorithm needs to be coupled with the process model in order to quantify the behavior of …