{"title":"结合机器学习算法的拉曼光谱快速识别塑料饮料瓶","authors":"Xinlei Liu, Lei Wang, Wei Li, Jingwei Wan","doi":"10.1002/jrs.6778","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>Rapid and accurate identification of plastic beverage bottles is of great importance because plastic beverage bottles can be encountered as physical evidence in cases involving assaults, thefts, and homicides. In this experiment, 40 commercially available plastic beverage bottles were collected as experimental samples, and their Raman spectral data were collected. Initially, the samples were classified into two categories of polyethylene terephthalate (PET) and polyethylene (PE), and the 35 PET samples were further clustered into three categories by K-means clustering. Savitzky–Golay algorithm smoothing, standard normal variate, multiple scattering correction, and first-order derivatives were utilized to improve the quality of the Raman spectra. A convolutional neural network (CNN) model was constructed for the classification and identification, and four evaluation indexes, such as accuracy, precision, recall, and F1-score, were utilized to compare the model's performance under the four types of preprocessing. The results show that the spectral data preprocessing combining SG and MSC has higher accuracy than other preprocessing methods, and the CNN classification model has the best performance, with 100% correct classification rate in both the training set and the test set, respectively. In conclusion, the results show that convolutional neural networks, when used in combination with Raman spectroscopy, can quickly detect the type of plastic beverage bottle, which is crucial for solving crimes.</p>\n </div>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"56 5","pages":"381-388"},"PeriodicalIF":2.4000,"publicationDate":"2025-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rapid Identification of Plastic Beverage Bottles by Using Raman Spectroscopy Combined With Machine Learning Algorithm\",\"authors\":\"Xinlei Liu, Lei Wang, Wei Li, Jingwei Wan\",\"doi\":\"10.1002/jrs.6778\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n <p>Rapid and accurate identification of plastic beverage bottles is of great importance because plastic beverage bottles can be encountered as physical evidence in cases involving assaults, thefts, and homicides. In this experiment, 40 commercially available plastic beverage bottles were collected as experimental samples, and their Raman spectral data were collected. Initially, the samples were classified into two categories of polyethylene terephthalate (PET) and polyethylene (PE), and the 35 PET samples were further clustered into three categories by K-means clustering. Savitzky–Golay algorithm smoothing, standard normal variate, multiple scattering correction, and first-order derivatives were utilized to improve the quality of the Raman spectra. A convolutional neural network (CNN) model was constructed for the classification and identification, and four evaluation indexes, such as accuracy, precision, recall, and F1-score, were utilized to compare the model's performance under the four types of preprocessing. The results show that the spectral data preprocessing combining SG and MSC has higher accuracy than other preprocessing methods, and the CNN classification model has the best performance, with 100% correct classification rate in both the training set and the test set, respectively. In conclusion, the results show that convolutional neural networks, when used in combination with Raman spectroscopy, can quickly detect the type of plastic beverage bottle, which is crucial for solving crimes.</p>\\n </div>\",\"PeriodicalId\":16926,\"journal\":{\"name\":\"Journal of Raman Spectroscopy\",\"volume\":\"56 5\",\"pages\":\"381-388\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2025-01-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Raman Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6778\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Raman Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6778","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
引用次数: 0
摘要
在涉及袭击、盗窃和凶杀的案件中,塑料饮料瓶可能成为物证,因此快速准确地识别塑料饮料瓶非常重要。本实验收集了 40 个市售塑料饮料瓶作为实验样本,并收集了它们的拉曼光谱数据。首先将样品分为聚对苯二甲酸乙二酯(PET)和聚乙烯(PE)两类,然后通过 K-means 聚类法将 35 个 PET 样品进一步聚类为三类。利用萨维茨基-戈莱算法平滑、标准正态变分、多重散射校正和一阶导数来提高拉曼光谱的质量。构建了用于分类和识别的卷积神经网络(CNN)模型,并利用准确度、精确度、召回率和 F1 分数等四个评价指标来比较模型在四种预处理类型下的性能。结果表明,结合 SG 和 MSC 的光谱数据预处理比其他预处理方法具有更高的准确率,而 CNN 分类模型的性能最好,在训练集和测试集中的分类正确率都分别达到了 100%。总之,研究结果表明,将卷积神经网络与拉曼光谱结合使用,可以快速检测出塑料饮料瓶的类型,这对破案至关重要。
Rapid Identification of Plastic Beverage Bottles by Using Raman Spectroscopy Combined With Machine Learning Algorithm
Rapid and accurate identification of plastic beverage bottles is of great importance because plastic beverage bottles can be encountered as physical evidence in cases involving assaults, thefts, and homicides. In this experiment, 40 commercially available plastic beverage bottles were collected as experimental samples, and their Raman spectral data were collected. Initially, the samples were classified into two categories of polyethylene terephthalate (PET) and polyethylene (PE), and the 35 PET samples were further clustered into three categories by K-means clustering. Savitzky–Golay algorithm smoothing, standard normal variate, multiple scattering correction, and first-order derivatives were utilized to improve the quality of the Raman spectra. A convolutional neural network (CNN) model was constructed for the classification and identification, and four evaluation indexes, such as accuracy, precision, recall, and F1-score, were utilized to compare the model's performance under the four types of preprocessing. The results show that the spectral data preprocessing combining SG and MSC has higher accuracy than other preprocessing methods, and the CNN classification model has the best performance, with 100% correct classification rate in both the training set and the test set, respectively. In conclusion, the results show that convolutional neural networks, when used in combination with Raman spectroscopy, can quickly detect the type of plastic beverage bottle, which is crucial for solving crimes.
期刊介绍:
The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications.
Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.