{"title":"一种基于GBLinear和TabNet的挥发性有机化合物混合物分类方法,并从气体传感器(E-Nose)数据中选择信息特征","authors":"Hamed Karami , Abdolrahman Khoshrou","doi":"10.1016/j.talanta.2025.128554","DOIUrl":null,"url":null,"abstract":"<div><div>The GBLinear and TabNet algorithms have been incorporated with essential feature selection techniques to create a new method of classifying essential oils using e-nose systems. Essential oils, known for their complex chemical compositions and a wide variety of applications in industries such as food, cosmetics, and pharmaceuticals, pose some challenges for e-nose systems due to the high variability and subtle differences in volatile compounds (VOCs). This novel approach, used for the first time for the analysis of electronic nose data, integrates efficient machine-learning models with advanced feature selection techniques and aims to increase the accuracy and interpretability of essential oil classification. This study highlights the potential of integrating interpretable machine learning models with deep learning-based architectures to address challenges in the analysis of complex gas mixtures. Not only was the classification accuracy increased by these methods, but these methods could be used in the future as promising models for analyzing complex mixtures.</div></div>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"297 ","pages":"Article 128554"},"PeriodicalIF":5.6000,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A novel VOC mixtures classification methods based on GBLinear and TabNet and informative feature selection from gas sensors (E-Nose) data\",\"authors\":\"Hamed Karami , Abdolrahman Khoshrou\",\"doi\":\"10.1016/j.talanta.2025.128554\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The GBLinear and TabNet algorithms have been incorporated with essential feature selection techniques to create a new method of classifying essential oils using e-nose systems. Essential oils, known for their complex chemical compositions and a wide variety of applications in industries such as food, cosmetics, and pharmaceuticals, pose some challenges for e-nose systems due to the high variability and subtle differences in volatile compounds (VOCs). This novel approach, used for the first time for the analysis of electronic nose data, integrates efficient machine-learning models with advanced feature selection techniques and aims to increase the accuracy and interpretability of essential oil classification. This study highlights the potential of integrating interpretable machine learning models with deep learning-based architectures to address challenges in the analysis of complex gas mixtures. Not only was the classification accuracy increased by these methods, but these methods could be used in the future as promising models for analyzing complex mixtures.</div></div>\",\"PeriodicalId\":435,\"journal\":{\"name\":\"Talanta\",\"volume\":\"297 \",\"pages\":\"Article 128554\"},\"PeriodicalIF\":5.6000,\"publicationDate\":\"2025-07-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Talanta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0039914025010446\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Talanta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0039914025010446","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
A novel VOC mixtures classification methods based on GBLinear and TabNet and informative feature selection from gas sensors (E-Nose) data
The GBLinear and TabNet algorithms have been incorporated with essential feature selection techniques to create a new method of classifying essential oils using e-nose systems. Essential oils, known for their complex chemical compositions and a wide variety of applications in industries such as food, cosmetics, and pharmaceuticals, pose some challenges for e-nose systems due to the high variability and subtle differences in volatile compounds (VOCs). This novel approach, used for the first time for the analysis of electronic nose data, integrates efficient machine-learning models with advanced feature selection techniques and aims to increase the accuracy and interpretability of essential oil classification. This study highlights the potential of integrating interpretable machine learning models with deep learning-based architectures to address challenges in the analysis of complex gas mixtures. Not only was the classification accuracy increased by these methods, but these methods could be used in the future as promising models for analyzing complex mixtures.
期刊介绍:
Talanta provides a forum for the publication of original research papers, short communications, and critical reviews in all branches of pure and applied analytical chemistry. Papers are evaluated based on established guidelines, including the fundamental nature of the study, scientific novelty, substantial improvement or advantage over existing technology or methods, and demonstrated analytical applicability. Original research papers on fundamental studies, and on novel sensor and instrumentation developments, are encouraged. Novel or improved applications in areas such as clinical and biological chemistry, environmental analysis, geochemistry, materials science and engineering, and analytical platforms for omics development are welcome.
Analytical performance of methods should be determined, including interference and matrix effects, and methods should be validated by comparison with a standard method, or analysis of a certified reference material. Simple spiking recoveries may not be sufficient. The developed method should especially comprise information on selectivity, sensitivity, detection limits, accuracy, and reliability. However, applying official validation or robustness studies to a routine method or technique does not necessarily constitute novelty. Proper statistical treatment of the data should be provided. Relevant literature should be cited, including related publications by the authors, and authors should discuss how their proposed methodology compares with previously reported methods.