Adhesive-emitted odorants detection using an electronic nose: Unraveling algorithm applicability with controlled dataset characteristics

IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Microchemical Journal Pub Date : 2025-03-02 DOI:10.1016/j.microc.2025.113220
Chen Qu , Zhuoran Zhang , Ning Liu , Zixuan Zhao , Zhongbao Guo , Jinhua Liu , Jiemin Liu , Chuandong Wu
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Abstract

Electronic nose technology is becoming increasingly important in pollution monitoring; however, the inappropriate selection of pattern recognition algorithms may lead to performance decreases. In this study, an electronic nose was developed for the qualitative classification of adhesives and quantitative detection of adhesive-emitted odorant concentrations. Meanwhile, the applicability of commonly used pattern recognition algorithms (support vector regression, partial least squares regression, artificial neural network (ANN), random forest regression (RFR), ridge regression, and Lasso regression) to datasets with controlled volumes and interference intensities was investigated by comparing their quantitative performance. In qualitative analysis, the support vector machine with polynomial nonlinear kernel and random forest achieved 100% accurate classification of 11 adhesive samples. In quantitative analysis, RFR demonstrated good generalization ability and interference insensitivity, with a mean absolute percentage error (MAPE) below 3% in the large-volume strongly interfering dataset and less than 25% in the small-volume strongly interfering dataset. While ANN showed certain data volume dependence and interference sensitivity. For dataset with small volume and weak interference, algorithms with simple structures could achieve accurate quantification (MAPE of 10%). Moreover, the algorithm applicability was validated on homologous datasets and the effectiveness of cluster analysis to remove outliers was discussed.

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使用电子鼻检测粘合剂发出的气味:具有受控数据集特征的解开算法适用性
电子鼻技术在污染监测中越来越重要;然而,模式识别算法的选择不当可能会导致性能下降。在这项研究中,开发了一种电子鼻,用于粘合剂的定性分类和粘合剂发出的气味浓度的定量检测。同时,研究了常用的模式识别算法(支持向量回归、偏最小二乘法回归、人工神经网络(ANN)、随机森林回归(RFR)、岭回归和Lasso回归)在控制体积和干扰强度的数据集上的适用性,比较了它们的定量性能。在定性分析中,采用多项式非线性核和随机森林的支持向量机对11个胶粘剂样本进行了100%的准确分类。在定量分析中,RFR表现出良好的泛化能力和干扰不敏感性,在大容量强干扰数据集中平均绝对百分比误差(MAPE)小于3%,在小体积强干扰数据集中平均绝对百分比误差小于25%。而人工神经网络表现出一定的数据量依赖性和干扰敏感性。对于体积小、干扰弱的数据集,结构简单的算法可以实现准确的量化(MAPE为10%)。验证了算法在同源数据集上的适用性,并讨论了聚类分析去除离群点的有效性。
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来源期刊
Microchemical Journal
Microchemical Journal 化学-分析化学
CiteScore
8.70
自引率
8.30%
发文量
1131
审稿时长
1.9 months
期刊介绍: The Microchemical Journal is a peer reviewed journal devoted to all aspects and phases of analytical chemistry and chemical analysis. The Microchemical Journal publishes articles which are at the forefront of modern analytical chemistry and cover innovations in the techniques to the finest possible limits. This includes fundamental aspects, instrumentation, new developments, innovative and novel methods and applications including environmental and clinical field. Traditional classical analytical methods such as spectrophotometry and titrimetry as well as established instrumentation methods such as flame and graphite furnace atomic absorption spectrometry, gas chromatography, and modified glassy or carbon electrode electrochemical methods will be considered, provided they show significant improvements and novelty compared to the established methods.
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