Spectroscopy and Spectral Analysis, Volume. 44, Issue 12, 3339(2024)

Different Feature Selection Methods Combined With Laser-Induced Breakdown Spectroscopy Were Used to Quantify the Contents of Nickel, Titanium and Chromium in Stainless Steel

WU Zhuo1,2, SU Xiao-hui3, FAN Bo-wen4, ZHU Hui-hui1,2, ZHANG Yu-bo1,2, FANG Bin3, WANG Yi-fan1,2, and LÜ1,2、*
Author Affiliations
  • 1School of Automation, China University of Geosciences, Wuhan 430074, China
  • 1Tao
  • 2Hubei Key Laboratory of Advanced Control and Intelligent Automation for Complex Systems, Wuhan 430074, China
  • 2School of Automation, China University of Geosciences, Wuhan 430074, China
  • 3School of Future Technology, China University of Geosciences (Wuhan), Wuhan 430074, China
  • 4School of Mathematics and Physics, China University of Geosciences (Wuhan), Wuhan 430074, China
  • show less

    Laser-induced breakdown spectroscopy (LIBS) technology, as an effective tool for material composition analysis, has broad application value. However, due to the poor repeatability of LIBS and the influence of matrix and self-absorption effects, spectral data contains a large number of redundant features that are useless for quantitative analysis. To overcome the difficulty in improving prediction accuracy when using raw full spectrum data as model input, two feature engineering techniques (minimum absolute shrinkage and selection operator regression LASSO and sequential backward selection SBS) were combined with machine learning to achieve a quantitative analysis of nickel (Ni), titanium (Ti), and chromium (Cr) in stainless steel samples. This study used seven stainless steel samples with different element contents purchased from Steel Research Nanogram Testing Technology Co., Ltd. as the research objects. Seventy LIBS spectra were obtained, and four different data preprocessing methods were compared, including Maximum Minimum Normalization (MMN), Standard Normal Variation (SNV), Savitzky Golay Smooth Filtering (SG), and Internal Standard Method (IS). The preprocessing results were detected using Root Mean Square Error (RSME). Finally, Savitzky Golay smoothing filtering was chosen for spectral preprocessing. Effective variables were independently selected for different quantization elements when selecting features using LASSO and SBS algorithms. Then, three different feature combinations, namely full spectrum, LASSO selection feature, and SBS selection feature were used as inputs to the model. To verify the effectiveness of the feature selection method, partial least squares (PLS) Compare two different machine learning models using a Support Vector Machine (SVM). Evaluate the performance of different models using Average Relative Error (ARE) and Relative Standard Deviation (RSD). The results showed that the model inputs selected by the two feature selection methods showed better prediction accuracy and stability compared to full-spectrum inputs in different machine learning models. Among them, the LASSO-PLS model achieved the best prediction accuracy in the quantitative analysis of Ni, Ti, and Cr elements, with ARE of 3.50%, 2.66%, and 0.93%, and RSD of 4.55%, 5.23%, and 2.04%, respectively. Therefore, the LIBS combined with LASSO and SBS algorithms proposed in this article can accurately and stably quantify the Ni, Ti, and Cr elements in stainless steel, providing a reference for further exploring the application of LIBS combined with machine learning in stainless steel element quantification analysis scenarios.

    Tools

    Get Citation

    Copy Citation Text

    WU Zhuo, SU Xiao-hui, FAN Bo-wen, ZHU Hui-hui, ZHANG Yu-bo, FANG Bin, WANG Yi-fan, LÜ. Different Feature Selection Methods Combined With Laser-Induced Breakdown Spectroscopy Were Used to Quantify the Contents of Nickel, Titanium and Chromium in Stainless Steel[J]. Spectroscopy and Spectral Analysis, 2024, 44(12): 3339

    Download Citation

    EndNote(RIS)BibTexPlain Text
    Save article for my favorites
    Paper Information

    Received: Nov. 11, 2023

    Accepted: Jan. 16, 2025

    Published Online: Jan. 16, 2025

    The Author Email: L&#220 (lvtaohn@126.com)

    DOI:10.3964/j.issn.1000-0593(2024)12-3339-08

    Topics