Article (Scientific journals)
Integrating supervised and unsupervised learning approaches to unveil critical process inputs
PAPAVASILEIOU, Paris; Giovanis, Dimitrios G.; POZZETTI, Gabriele et al.
2025In Computers and Chemical Engineering, 192, p. 108857
Peer reviewed
 

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Keywords :
critical parameters; machine learning; industrial process; data-driven approaches; chemical vapor deposition; Shapley values
Abstract :
[en] This study introduces a machine learning framework tailored to large-scale industrial processes characterized by a plethora of numerical and categorical inputs. The framework aims to (i) discern critical parameters that influence the output and (ii) generate accurate out-of-sample qualitative and quantitative predictions of production outcomes. Specifically, we address the pivotal question of the significance of each input in shaping the process outcome, using an industrial Chemical Vapor Deposition (CVD) process as an example. The initial objective involves merging subject matter expertise and clustering techniques exclusively on the process output, here, coating thickness measurements at various positions in the reactor. This approach identifies groups of production runs that share similar qualitative characteristics, such as film mean thickness and standard deviation. In particular, the differences of the outcomes represented by the different clusters can be attributed to differences in specific inputs, indicating that these inputs are potentially critical to the production outcome. Shapley value analysis corroborates the formed hypotheses. Leveraging this insight, we subsequently implement supervised classification and regression methods using the identified critical process inputs. The proposed methodology proves to be valuable in scenarios with a multitude of inputs and insufficient data for the direct application of deep learning techniques, providing meaningful insights into the underlying processes.
Disciplines :
Chemical engineering
Author, co-author :
PAPAVASILEIOU, Paris  ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Engineering (DoE) ; NTUA - National Technical University of Athens [GR] > School of Chemical Engineering
Giovanis, Dimitrios G. ;  JHU - Johns Hopkins University [US-MD] > Department of Civil & Systems Engineering, Whiting School of Engineering
POZZETTI, Gabriele ;  CERATIZIT Luxembourg S.à r.l.
Kathrein, Martin;  CERATIZIT Luxembourg S.à r.l.
Czettl, Christoph;  CERATIZIT Austria GmbH
Kevrekidis, Ioannis G.;  JHU - Johns Hopkins University [US-MD] > Department of Chemical and Biomolecular Engineering & Department of Applied Mathematics and Statistics, Whiting School of Engineering
Boudouvis, Andreas G.;  NTUA - National Technical University of Athens [GR] > School of Chemical Engineering
BORDAS, Stéphane ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Engineering (DoE)
KORONAKI, Eleni  ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Engineering (DoE)
External co-authors :
yes
Language :
English
Title :
Integrating supervised and unsupervised learning approaches to unveil critical process inputs
Publication date :
January 2025
Journal title :
Computers and Chemical Engineering
ISSN :
0098-1354
Publisher :
Elsevier BV
Volume :
192
Pages :
108857
Peer reviewed :
Peer reviewed
Focus Area :
Computational Sciences
Name of the research project :
U-AGR-7130 - BRIDGES/21/16758846/OptiSimCVD - BORDAS Stéphane
Funders :
FNR - Fonds National de la Recherche
Unilu - University of Luxembourg
DOE - United States. Department of Energy
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