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利用紫外光谱法和改进的自适应人工蜂群结合BP-ANN算法对氯化钠、氢氧化钠和β-苯乙胺进行鉴别

Differentiation of NaCl, NaOH, and β-Phenylethylamine Using Ultraviolet Spectroscopy and Improved Adaptive Artificial Bee Colony Combined with BP-ANN Algorithm.

作者信息

Tong Angxin, Tang Xiaojun, Liu Haibin, Gao Honghu, Kou Xiaofei, Zhang Qiang

机构信息

School of Management Engineering, Zhengzhou University of Aeronautics, Zhengzhou 450046, China.

School of Electrical Engineering, Xi'an Jiaotong University, Xi'an 710049, China.

出版信息

ACS Omega. 2023 Mar 20;8(13):12418-12429. doi: 10.1021/acsomega.3c00271. eCollection 2023 Apr 4.

Abstract

The aim of this study is to enhance the classification performance of the back-propagation-artificial neural network (BP-ANN) algorithm for NaCl, NaOH, β-phenylethylamine (PEA), and their mixture, as well as to avoid the defects of the artificial bee colony (ABC) algorithm such as prematurity and local optimization. In this paper, a method that combined an improved adaptive artificial bee colony (IAABC) algorithm and BP-ANN algorithm was proposed. This method improved the ABC algorithm by adding an adaptive local search factor and mutation factor; meanwhile, it can enhance the abilities of the global optimization and local search of the ABC algorithm and avoid prematurity. The extracted score vectors of the principal component of the ultraviolet (UV) spectrum were used as the input variable of the BP-ANN algorithm. The IAABC algorithm was used to optimize the weight and threshold of the BP-ANN algorithm, and the iterative algorithm was repeated until the output accuracy was reached. The output variable was the classification results of NaCl, NaOH, PEA, and the mixture. Meanwhile, the proposed IAABC-BP-ANN algorithm was compared with discriminant analysis (DA), sigmaid-support vector machine (SVM), radial basis function-SVM (RBF-SVM), BP-ANN, and ABC-BP-ANN. Then, the above algorithms were used to classify NaCl, NaOH, PEA, and the mixture, respectively. In the experiment, four indicators, accuracy, recall, precision, and F-score, were used as the evaluation criteria. In addition, the regression equation parameters of the mixture for the testing set were obtained by BP-ANN, ABC-BP-ANN, and IAABC-BP-ANN models. All of the results showed that IAABC-BP-ANN exhibits better performance than other algorithms. Therefore, IAABC-BP-ANN combined with UV spectroscopy is a potential identification tool for the detection of NaCl, NaOH, PEA, and the mixture.

摘要

本研究旨在提高反向传播人工神经网络(BP-ANN)算法对氯化钠、氢氧化钠、β-苯乙胺(PEA)及其混合物的分类性能,并避免人工蜂群(ABC)算法的早熟和局部优化等缺陷。本文提出了一种将改进的自适应人工蜂群(IAABC)算法与BP-ANN算法相结合的方法。该方法通过添加自适应局部搜索因子和变异因子对ABC算法进行改进;同时,它可以增强ABC算法的全局优化和局部搜索能力,避免早熟。将紫外(UV)光谱主成分提取的得分向量作为BP-ANN算法的输入变量。使用IAABC算法对BP-ANN算法的权重和阈值进行优化,并重复迭代算法,直到达到输出精度。输出变量是氯化钠、氢氧化钠、PEA和混合物的分类结果。同时,将所提出的IAABC-BP-ANN算法与判别分析(DA)、西格蒙德支持向量机(SVM)、径向基函数支持向量机(RBF-SVM)、BP-ANN和ABC-BP-ANN进行比较。然后,分别使用上述算法对氯化钠、氢氧化钠、PEA和混合物进行分类。在实验中,使用准确率、召回率、精确率和F分数四个指标作为评价标准。此外,通过BP-ANN、ABC-BP-ANN和IAABC-BP-ANN模型获得测试集混合物的回归方程参数。所有结果表明,IAABC-BP-ANN表现出比其他算法更好的性能。因此,IAABC-BP-ANN与紫外光谱相结合是检测氯化钠、氢氧化钠、PEA和混合物的一种潜在识别工具。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eb7b/10077557/a3b109e44a95/ao3c00271_0002.jpg

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