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ORIGINAL RESEARCH article

Front. Chem.
Sec. Analytical Chemistry
Volume 12 - 2024 | doi: 10.3389/fchem.2024.1398984

Enhanced prediction of cement raw meal oxides by near-infrared spectroscopy using machine learning combined with chemometric techniques Provisionally Accepted

 Yongzhen Zhang1 Zhenfa Yang2 Yina Wang3  Xinting Ge1 Jianfeng Zhang1  Hang Xiao1*
  • 1School of Information Science and Engineering, Shandong Normal University, China
  • 2Shandong University, China
  • 3College of Mechanical and Electronic Engineering, Nanjing Forestry University, China

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The component analysis of raw meal is critical to the quality of cement. In recent years, Near Infrared (NIR) has been emerged as an innovative and efficient analytical method to determine the oxide content of cement raw meal. This study aims to utilize NIR spectroscopy combined with machine learning and chemometrics to improve the prediction of oxide content in cement raw meal. The Savitzky-Golay convolution smoothing method is applied to eliminate noise interference for the analysis of calcium carbonate (πΆπ‘ŽπΆπ‘‚ ! ), silicon dioxide (𝑆𝑖𝑂 " ), aluminum oxide (𝐴𝑙 " 𝑂 ! ), and ferric oxide (𝐹𝑒 " 𝑂 ! ) in cement raw materials. Different wavelength selection techniques are used to perform a comprehensive analysis of the model, comparing the performance of several wavelength selection techniques. The back-propagation neural network regression model based on particle swarm optimization algorithm was also applied to optimize the extracted and screened feature wavelengths, and the model prediction performance was checked and evaluated using 𝑅 # and RMSE. In conclusion, the results indicate that NIR spectroscopy in combination with ML and chemometrics has great potential to effectively improve the prediction performance of oxide content in raw materials and highlight the importance of modeling and wavelength selection techniques.

Keywords: Machine Learning1, Near Infrared (NIR) spectroscopy2, Cement raw meal3, Oxides determination4, Meta-model5

Received: 11 Mar 2024; Accepted: 13 May 2024.

Copyright: © 2024 Zhang, Yang, Wang, Ge, Zhang and Xiao. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

* Correspondence: Mx. Hang Xiao, School of Information Science and Engineering, Shandong Normal University, Jinan, China