Al-DeMat: A web-based expert system platform for computationally expensive models in materials design

Research output: Contribution to journalArticleResearchpeer review

Authors

  • Bokai Liu
  • Nam Vu-Bac
  • Xiaoying Zhuang
  • Weizhuo Lu
  • Xiaolong Fu
  • Timon Rabczuk

Research Organisations

External Research Organisations

  • Bauhaus-Universität Weimar
  • Umea University
  • Xi'an Modern Chemistry Research Institute
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Details

Original languageEnglish
Article number103398
JournalAdvances in engineering software
Volume176
Early online date24 Dec 2022
Publication statusPublished - Feb 2023

Abstract

We present a web-based framework based on the R shiny package with functional back-end server in machine learning methods. A 4-tiers architecture is programmed to achieve users’ interactive design and visualization via a web browser. Many data-driven methods are integrated into this framework, namely Random Forest, Gradient Boosting Machine, Artificial and Deep neural networks. Moreover, a robust gradient-free optimization technique, the Particle Swarm Optimization, is used to search optimal values in hyper-parameters tuning. K-fold Cross Validation is applied to avoid over-fitting. R2 and RMSE are considered as two key factors to evaluate the trained models. The contributions to the expert system in materials design are: (1) A systematic framework that can be applied in materials prediction with machine learning approaches, (2) A user-friendly web-based platform that is easy and flexible to use and (3) integrated optimization and visualization into the framework with pre set algorithms. This computational framework is designed for researchers and materials engineers who would like to do the preliminary designs before experimental studies. Finally, we demonstrate the performance of the web-based framework through 2 case studies.

Keywords

    Data-driven modeling, Decision support systems (DSS), Machine learning, R shiny, Web-based platform

ASJC Scopus subject areas

Cite this

Al-DeMat: A web-based expert system platform for computationally expensive models in materials design. / Liu, Bokai; Vu-Bac, Nam; Zhuang, Xiaoying et al.
In: Advances in engineering software, Vol. 176, 103398, 02.2023.

Research output: Contribution to journalArticleResearchpeer review

Liu B, Vu-Bac N, Zhuang X, Lu W, Fu X, Rabczuk T. Al-DeMat: A web-based expert system platform for computationally expensive models in materials design. Advances in engineering software. 2023 Feb;176:103398. Epub 2022 Dec 24. doi: 10.1016/j.advengsoft.2022.103398
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abstract = "We present a web-based framework based on the R shiny package with functional back-end server in machine learning methods. A 4-tiers architecture is programmed to achieve users{\textquoteright} interactive design and visualization via a web browser. Many data-driven methods are integrated into this framework, namely Random Forest, Gradient Boosting Machine, Artificial and Deep neural networks. Moreover, a robust gradient-free optimization technique, the Particle Swarm Optimization, is used to search optimal values in hyper-parameters tuning. K-fold Cross Validation is applied to avoid over-fitting. R2 and RMSE are considered as two key factors to evaluate the trained models. The contributions to the expert system in materials design are: (1) A systematic framework that can be applied in materials prediction with machine learning approaches, (2) A user-friendly web-based platform that is easy and flexible to use and (3) integrated optimization and visualization into the framework with pre set algorithms. This computational framework is designed for researchers and materials engineers who would like to do the preliminary designs before experimental studies. Finally, we demonstrate the performance of the web-based framework through 2 case studies.",
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