Measurement Technology and Instrumentation Key Lab of Hebei Province, Yanshan University, Qinhuangdao, Hebei 066004, China.
Measurement Technology and Instrumentation Key Lab of Hebei Province, Yanshan University, Qinhuangdao, Hebei 066004, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2020 Jan 5;224:117404. doi: 10.1016/j.saa.2019.117404. Epub 2019 Jul 19.
Polycyclic aromatic hydrocarbons (PAHs), known as a widespread toxic pollutants in aquatic environments, have caused enormous harm to human society and even the earth's ecology. Therefore, it is necessary to identify PAHs pollutants accurately and efficiently. In this work, the binary mixed solvents Acenaphthylene and Fluorene (ANP-FLU), Acenaphthylene and Naphthalene (ANP-NAP), FLU-NAP representing typical PAHs mixtures in aqueous solution were identified by using three-dimensional fluorescence spectroscopy and machine learning intelligent algorithm. The fluorescence spectroscopy was used to analyze the similarity and difference of ANP, FLU, NAP and the mixtures of two above compounds. What's more, bird swarm algorithm optimization support vector machine (BSA-SVM), introduced as a new method, was proposed to identify PAHs. In order to verify the accuracy of the BSA-SVM algorithm, the BSA-SVM, particle swarm optimization support vector machine (PSO-SVM), genetic optimization support vector machine (GA-SVM) and SVM algorithms were test by processing the same spectral data. The test set classification accuracy of BSA-SVM can reach 100%, which was higher than that of PSO-SVM, GA-SVM and SVM. Moreover, with the exception of the original SVM model, the training speed of BSA-SVM was the fastest among the three optimization algorithms. The satisfying results demonstrated that the BSA-SVM was more suitable for qualitative analysis of PAHs.
多环芳烃(PAHs)作为一种广泛存在于水环境污染中的有毒污染物,已经对人类社会甚至地球生态造成了巨大的危害。因此,准确、高效地识别 PAHs 污染物是非常必要的。在这项工作中,使用三维荧光光谱和机器学习智能算法,对水溶液中的典型 PAHs 混合物 Acenaphthylene 和 Fluorene(ANP-FLU)、Acenaphthylene 和 Naphthalene(ANP-NAP)、FLU-NAP 进行了识别。荧光光谱用于分析 ANP、FLU、NAP 及其两种以上化合物混合物的相似性和差异性。此外,还提出了一种新的方法——鸟群算法优化支持向量机(BSA-SVM),用于识别 PAHs。为了验证 BSA-SVM 算法的准确性,使用相同的光谱数据对 BSA-SVM、粒子群优化支持向量机(PSO-SVM)、遗传优化支持向量机(GA-SVM)和 SVM 算法进行了测试。BSA-SVM 的测试集分类准确率可达 100%,高于 PSO-SVM、GA-SVM 和 SVM。此外,除了原始的 SVM 模型外,BSA-SVM 的训练速度在三种优化算法中最快。令人满意的结果表明,BSA-SVM 更适合 PAHs 的定性分析。