Rapid and accurate identification of foodborne bacteria: a combined approach using confocal Raman micro-spectroscopy and explainable machine learning.

IF 3.8 2区 化学 Q1 BIOCHEMICAL RESEARCH METHODS
Qiancheng Tu, Miaoyun Li, Zhiyuan Sun, Huimin Niu, Lijun Zhao, Yanxiao Wang, Lingxia Sun, Yanxia Liu, Yaodi Zhu, Gaiming Zhao
{"title":"Rapid and accurate identification of foodborne bacteria: a combined approach using confocal Raman micro-spectroscopy and explainable machine learning.","authors":"Qiancheng Tu, Miaoyun Li, Zhiyuan Sun, Huimin Niu, Lijun Zhao, Yanxiao Wang, Lingxia Sun, Yanxia Liu, Yaodi Zhu, Gaiming Zhao","doi":"10.1007/s00216-025-05816-0","DOIUrl":null,"url":null,"abstract":"<p><p>This study proposes a rapid identification method for foodborne pathogens by combining Raman spectroscopy with explainable machine learning. Spectral data of nine common foodborne pathogens are collected using a laser confocal Raman spectrometer, and their characteristic Raman peaks are identified and analyzed. Key spectral features are extracted using competitive adaptive reweighted sampling (CARS) and the successive projections algorithm (SPA), while t-distributed stochastic neighbor embedding (t-SNE) is employed for visualization. Subsequently, classification models, including support vector machine (SVM) and random forest (RF), are developed, and the optimal model is selected based on classification accuracy (ACC), with the RF model achieving a test accuracy of 98.91%. To enhance the interpretability of the model, Shapley Additive exPlanations (SHAP) analysis is applied to evaluate the contribution of each spectral feature to the classification results, identifying critical Raman shifts significantly influencing pathogen classification. The results demonstrate that CARS-SPA feature selection not only improves the accuracy and efficiency of the classification model but also enhances its transparency and reliability. This study optimizes the workflow for food safety testing, reduces the risk of foodborne diseases, and provides robust technical support for public health and safety.</p>","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8000,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytical and Bioanalytical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1007/s00216-025-05816-0","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
引用次数: 0

Abstract

This study proposes a rapid identification method for foodborne pathogens by combining Raman spectroscopy with explainable machine learning. Spectral data of nine common foodborne pathogens are collected using a laser confocal Raman spectrometer, and their characteristic Raman peaks are identified and analyzed. Key spectral features are extracted using competitive adaptive reweighted sampling (CARS) and the successive projections algorithm (SPA), while t-distributed stochastic neighbor embedding (t-SNE) is employed for visualization. Subsequently, classification models, including support vector machine (SVM) and random forest (RF), are developed, and the optimal model is selected based on classification accuracy (ACC), with the RF model achieving a test accuracy of 98.91%. To enhance the interpretability of the model, Shapley Additive exPlanations (SHAP) analysis is applied to evaluate the contribution of each spectral feature to the classification results, identifying critical Raman shifts significantly influencing pathogen classification. The results demonstrate that CARS-SPA feature selection not only improves the accuracy and efficiency of the classification model but also enhances its transparency and reliability. This study optimizes the workflow for food safety testing, reduces the risk of foodborne diseases, and provides robust technical support for public health and safety.

快速准确地鉴定食源性细菌:使用共聚焦拉曼显微光谱和可解释的机器学习的联合方法。
本研究提出了一种将拉曼光谱与可解释机器学习相结合的食源性病原体快速鉴定方法。利用激光共聚焦拉曼光谱仪采集了9种常见食源性致病菌的光谱数据,并对其特征拉曼峰进行了识别和分析。采用竞争自适应重加权采样(CARS)和逐次投影算法(SPA)提取关键光谱特征,采用t分布随机邻居嵌入(t-SNE)进行可视化。随后,建立了支持向量机(SVM)和随机森林(RF)分类模型,并根据分类准确率(ACC)选择了最优模型,其中随机森林模型的测试准确率达到98.91%。为了提高模型的可解释性,应用Shapley加性解释(SHAP)分析来评估每个光谱特征对分类结果的贡献,找出显著影响病原体分类的关键拉曼位移。结果表明,CARS-SPA特征选择不仅提高了分类模型的准确率和效率,而且提高了分类模型的透明度和可靠性。本研究优化了食品安全检测工作流程,降低了食源性疾病的风险,为公共卫生和安全提供了强有力的技术支持。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
CiteScore
8.00
自引率
4.70%
发文量
638
审稿时长
2.1 months
期刊介绍: Analytical and Bioanalytical Chemistry’s mission is the rapid publication of excellent and high-impact research articles on fundamental and applied topics of analytical and bioanalytical measurement science. Its scope is broad, and ranges from novel measurement platforms and their characterization to multidisciplinary approaches that effectively address important scientific problems. The Editors encourage submissions presenting innovative analytical research in concept, instrumentation, methods, and/or applications, including: mass spectrometry, spectroscopy, and electroanalysis; advanced separations; analytical strategies in “-omics” and imaging, bioanalysis, and sampling; miniaturized devices, medical diagnostics, sensors; analytical characterization of nano- and biomaterials; chemometrics and advanced data analysis.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信