Xiaoyong He , Bingyan Zhou , Yufeng Yuan , Lingan Kong
{"title":"通过飞秒激光烧蚀火花诱导击穿光谱和机器学习快速准确地识别钢合金","authors":"Xiaoyong He , Bingyan Zhou , Yufeng Yuan , Lingan Kong","doi":"10.1016/j.sab.2024.107031","DOIUrl":null,"url":null,"abstract":"<div><p>This work investigates the application of femtosecond laser-ablation spark-induced breakdown spectroscopy (fs-LA-SIBS) combined with machine learning algorithms for the rapid and accurate identification of steel alloys. Three algorithms, namely random forest (RF), support vector machine (SVM), and partial least squares identification analysis (PLS-DA), were compared and evaluated. The results indicate that, in 100 independent classifications, the RF model demonstrated an average accuracy of 0.9337, significantly surpassing the accuracies of the SVM model at 0.8281 and the PLS-DA model at 0.8646. In addition, in the evaluation of 5-fold cross-validation and the prediction set, the RF model achieved a near-perfect micro-average area under curve (AUC) of 0.9996, surpassing the AUCs of the SVM model at 0.9761 and the PLS-DA model at 0.9847. The PCA results provided valuable insights into the spectral features that most significantly contributed to the classification accuracy, further confirming the RF model's robustness and effectiveness. This integrated approach offers a powerful tool for the rapid classification and accurate identification of steel alloys in industrial applications.</p></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"220 ","pages":"Article 107031"},"PeriodicalIF":3.2000,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rapid and accurate identification of steel alloys by femtosecond laser-ablation spark-induced breakdown spectroscopy and machine learning\",\"authors\":\"Xiaoyong He , Bingyan Zhou , Yufeng Yuan , Lingan Kong\",\"doi\":\"10.1016/j.sab.2024.107031\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>This work investigates the application of femtosecond laser-ablation spark-induced breakdown spectroscopy (fs-LA-SIBS) combined with machine learning algorithms for the rapid and accurate identification of steel alloys. Three algorithms, namely random forest (RF), support vector machine (SVM), and partial least squares identification analysis (PLS-DA), were compared and evaluated. The results indicate that, in 100 independent classifications, the RF model demonstrated an average accuracy of 0.9337, significantly surpassing the accuracies of the SVM model at 0.8281 and the PLS-DA model at 0.8646. In addition, in the evaluation of 5-fold cross-validation and the prediction set, the RF model achieved a near-perfect micro-average area under curve (AUC) of 0.9996, surpassing the AUCs of the SVM model at 0.9761 and the PLS-DA model at 0.9847. The PCA results provided valuable insights into the spectral features that most significantly contributed to the classification accuracy, further confirming the RF model's robustness and effectiveness. This integrated approach offers a powerful tool for the rapid classification and accurate identification of steel alloys in industrial applications.</p></div>\",\"PeriodicalId\":21890,\"journal\":{\"name\":\"Spectrochimica Acta Part B: Atomic Spectroscopy\",\"volume\":\"220 \",\"pages\":\"Article 107031\"},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-08-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part B: Atomic Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0584854724001757\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part B: Atomic Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0584854724001757","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Rapid and accurate identification of steel alloys by femtosecond laser-ablation spark-induced breakdown spectroscopy and machine learning
This work investigates the application of femtosecond laser-ablation spark-induced breakdown spectroscopy (fs-LA-SIBS) combined with machine learning algorithms for the rapid and accurate identification of steel alloys. Three algorithms, namely random forest (RF), support vector machine (SVM), and partial least squares identification analysis (PLS-DA), were compared and evaluated. The results indicate that, in 100 independent classifications, the RF model demonstrated an average accuracy of 0.9337, significantly surpassing the accuracies of the SVM model at 0.8281 and the PLS-DA model at 0.8646. In addition, in the evaluation of 5-fold cross-validation and the prediction set, the RF model achieved a near-perfect micro-average area under curve (AUC) of 0.9996, surpassing the AUCs of the SVM model at 0.9761 and the PLS-DA model at 0.9847. The PCA results provided valuable insights into the spectral features that most significantly contributed to the classification accuracy, further confirming the RF model's robustness and effectiveness. This integrated approach offers a powerful tool for the rapid classification and accurate identification of steel alloys in industrial applications.
期刊介绍:
Spectrochimica Acta Part B: Atomic Spectroscopy, is intended for the rapid publication of both original work and reviews in the following fields:
Atomic Emission (AES), Atomic Absorption (AAS) and Atomic Fluorescence (AFS) spectroscopy;
Mass Spectrometry (MS) for inorganic analysis covering Spark Source (SS-MS), Inductively Coupled Plasma (ICP-MS), Glow Discharge (GD-MS), and Secondary Ion Mass Spectrometry (SIMS).
Laser induced atomic spectroscopy for inorganic analysis, including non-linear optical laser spectroscopy, covering Laser Enhanced Ionization (LEI), Laser Induced Fluorescence (LIF), Resonance Ionization Spectroscopy (RIS) and Resonance Ionization Mass Spectrometry (RIMS); Laser Induced Breakdown Spectroscopy (LIBS); Cavity Ringdown Spectroscopy (CRDS), Laser Ablation Inductively Coupled Plasma Atomic Emission Spectroscopy (LA-ICP-AES) and Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS).
X-ray spectrometry, X-ray Optics and Microanalysis, including X-ray fluorescence spectrometry (XRF) and related techniques, in particular Total-reflection X-ray Fluorescence Spectrometry (TXRF), and Synchrotron Radiation-excited Total reflection XRF (SR-TXRF).
Manuscripts dealing with (i) fundamentals, (ii) methodology development, (iii)instrumentation, and (iv) applications, can be submitted for publication.