Towards artificial intelligence at scale in the chemical industry

LH Chiang, B Braun, Z Wang, I Castillo - AIChE Journal, 2022 - Wiley Online Library
Abstract In the Industry 4.0 era, the chemical industry is embracing broad adoption of
artificial intelligence (AI) and machine learning (ML) methods. This article provides a holistic …

[HTML][HTML] Design of dynamic trajectories for efficient and data-rich exploration of flow reaction design spaces

F Florit, AMK Nambiar, CP Breen, TF Jamison… - Reaction Chemistry & …, 2021 - pubs.rsc.org
Batch and continuous reactors both enable exploration of a chemical design space. The
former rely on transient experiments, thus experiencing a wide variety of operating …

Multi-step lookahead Bayesian optimization with active learning using reinforcement learning and its application to data-driven batch-to-batch optimization

HE Byun, B Kim, JH Lee - Computers & Chemical Engineering, 2022 - Elsevier
This study presents a novel multi-step lookahead Bayesian optimization method which
strives for optimal active learning by balancing exploration and exploitation over multiple …

Direct prediction of the batch time and process variable profiles using batch process data based on different batch times

H Kaneko - Computers & Chemical Engineering, 2023 - Elsevier
This study aims to design both the batch time and the process variable (PV) profiles (x) to
ensure that the endpoints (y), such as the product quality and the material properties …

Data-driven quasi-convex method for hit rate optimization of process product quality in digital twin

Y Yang, J Wu, X Song, D Wu, L Su, L Tang - Journal of Industrial …, 2024 - Elsevier
Hit rate is an important quantitative criterion for the process product quality prediction of the
integrated industrial processes. The hit rate indicates the percentage of product quantities …

Machine learning techniques for the prediction of polymerization kinetics and polymer properties

NB Ishola, TFL McKenna - The Canadian Journal of Chemical …, 2024 - Wiley Online Library
In the current study, the ability of two data‐driven machine learning tools, the extreme
learning machine (ELM) and the adaptive neuro‐fuzzy inference system (ANFIS), to predict …

Mass and energy balance-assisted data-driven modeling and optimization of batch processes: The case of a batch polymerization process

A Bardooli, Y Dong, C Georgakis - Computers & Chemical Engineering, 2022 - Elsevier
In this paper, we use two data-driven modeling methodologies that we have been recently
developed: the design of dynamic experiments (DoDE)(Georgakis 2013) and the dynamic …

Hierarchical‐linked batch‐to‐batch optimization based on transfer learning of synthesis process

F Chu, H Wang, J Wang, R Jia, D He… - The Canadian Journal …, 2023 - Wiley Online Library
In this work, a hierarchical‐linked batch‐to‐batch optimization based on transfer learning is
proposed to realize the effective optimization of a new synthesis process. Optimization …

Optimization of Ethanol Fermentation Based on Design of Dynamic Experiments

Y Liu, F Liu - China Intelligent Networked Things Conference, 2022 - Springer
For the fed-batch ethanol production process, the feed rate is the key to determining the total
yield. This paper optimizes the feed rate based on the Kriging model by using the design of …

A Novel Black Box Process Quality Optimization Approach based on Hit Rate

Y Yang, J Wu, X Song, D Wu, L Su, L Tang - arXiv preprint arXiv …, 2023 - arxiv.org
Hit rate is a key performance metric in predicting process product quality in integrated
industrial processes. It represents the percentage of products accepted by downstream …