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基于太赫兹光谱的天然植物源多孔材料颗粒复合滤棒的识别检测研究

Research on Identification and Detection of Composite Filter Rods Made of Natural Plant-derived Porous Material Particles Based on Terahertz Spectroscopy

  • 摘要: 为实现对一种天然植物源多孔材料颗粒(NP颗粒)复合滤棒的准确、无损识别,基于太赫兹时域光谱技术(THz-TDS)获取吸收系数,采用多元散射校正(MSC)、Savitzky-Golay平滑算法(SG)、标准正态变量变换(SNV) 3种方法预处理光谱,结合主成分分析(PCA)降维,构建了支持向量机(SVM,含Linear核、Polynomial核、RBF核)、逻辑回归(LR)、K-邻近(KNN)、决策树(DT)和随机森林(RF)的分类模型,并比较了不同预处理与模型组合对分类识别性能的影响。结果表明: ①0.75~2.50 THz频段的吸收系数为表征该种NP颗粒复合滤棒的关键光谱特征; 0.82~1.20 THz、1.64~1.98 THz对物质添加量与微观空间形态具有较高敏感性。②MSC预处理后模型训练集交叉验证的准确率均高于87%,SVM(RBF)与SVM(Linear)模型可达93.21%。③采用PCA对吸收光谱数据进行特征提取,选取累计方差贡献率达到92%的前3个主成分所建立的模型中,MSC-SVM(RBF)模型综合性能较优,模型准确率高于95%,测试集准确率达95.83%(Macro-F1为95.83%,Kappa系数为95.24%) ,对A2、A3、B2和C0样品识别准确率为100%,A1、B1、B3和B4样品的识别准确率介于86.67%~93.33%之间。④MSC-LR模型准确率94.17%、MSC-KNN模型准确率92.50%、MSC-DT模型准确率87.50%、MSC-RF模型准确率88.33%。MSC-SVM(RBF)模型可用于不同类型该种NP颗粒复合滤棒的无损检测识别研究,也为NP颗粒及其他类型颗粒复合滤棒生产过程中的质量控制提供一种方法借鉴。

     

    Abstract: To achieve accurate and non-destructive identification of composite filter rods with natural plant-derived porous material particles (Natural Plant-derived Porous particles, NP), terahertz time-domain spectroscopy (THz-TDS) was adopted as the core detection technology to acquire the terahertz absorption coefficient spectra of all prepared filter rod samples. Three classical spectral preprocessing methods, namely Multiplicative Scatter Correction (Multiplicative Scatter Correction, MSC), S-G(Savitzky-Golay, SG) smoothing algorithm, and Standard Normal Variate (Standard Normal Variate, SNV) transformation, were individually implemented to process the raw original spectra. The preprocessing procedures were designed to mitigate adverse interference caused by sample surface unevenness, optical scattering effects, baseline drift and random noise, so as to enhance spectral signal quality and highlight inherent characteristic differences between different sample types. On the basis of the preprocessed spectral datasets, Principal Component Analysis (PCA) was further utilized for dimensionality reduction of the high-dimensional spectral data. By extracting principal components that cover the vast majority of spectral variance information, this procedure can effectively eliminate data redundancy and multicollinearity among spectral variables, reducing the computational load of subsequent classification models while retaining the core feature information of the samples. For the classification recognition task, multiple supervised machine learning classification models were constructed, including Support Vector Machine (Support Vector Machine, SVM) configured with three distinct kernel functions (Linear kernel, Polynomial kernel, and Radial Basis Function (RBF) kernel), Logistic Regression (Logistic Regression, LR), K-Nearest Neighbor (K-Nearest Neighbor, KNN), Decision Tree (Decision Tree, DT), and Random Forest (Random Forest, RF). Finally, the effects of different combinations of preprocessing strategies and classification models on classification performance, recognition accuracy and generalization capability were systematically compared and comprehensively evaluated. The comprehensive results of spectral feature analysis and classification model performance evaluation are elaborated as follows: ①The absorption coefficient in the 0.75 - 2.50 THz frequency band serves as the core spectral feature for characterizing Natural Plant-derived Porous particles filter rods. The 0.82-1.20 THz and 1.64-1.98 THz bands present high sensitivity to the additive content and microscopic spatial morphology of the substance. ②After MSC preprocessing, the cross-validation accuracy of all models on the training set exceeds 87%, and both the SVM (RBF) and SVM (Linear) models can reach 93.21%. ③PCA was applied to perform feature extraction on the absorption spectral data. Among the models constructed with the first three principal components that account for a cumulative variance contribution rate of 92%, the MSC-SVM (RBF) model exhibits superior comprehensive performance. The model delivers an overall accuracy above 95%, with a test set accuracy of 95.83% (Macro-F1 score: 95.83%, Kappa coefficient: 95.24%). It achieves 100% recognition accuracy for samples in categories A2, A3, B2 and C0, while the recognition accuracy for categories including B1 and B3 ranges from 86.67% to 93.33%. ④For the rest of the classification models coupled with MSC preprocessing, the test set classification accuracies are listed respectively: 94.17% for the MSC-LR model, 92.50% for the MSC-KNN model, 87.50% for the MSC-DT model, and 88.33% for the MSC-RF model. The MSC-SVM (RBF) model can be applied to research on non-destructive detection and identification of different types of these NP particles composite filter rods, and also provides a reference method for quality control during the manufacturing process of NP particles and other types of particle-based composite filter rods.

     

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