{"title":"极限学习机与鲸鱼优化算法相结合,用于复杂样本的光谱定量分析","authors":"Yuxia Liu, Hao Sun, Chunyan Zhao, Changkun Ai, Xihui Bian","doi":"10.1002/cem.3590","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>Extreme learning machine (ELM) is combined with the discretized whale optimization algorithm (WOA) for spectral quantitative analysis of complex samples. In this method, the spectral variables selected by the discretized WOA were used to build the ELM model. Before establishing the model, the activation function and the number of hidden nodes in ELM as well as the transfer function of the discretized WOA are determined. Furthermore, the predictive performance of the full-spectrum partial least squares (PLS), ELM, and WOA-ELM models was compared with four complex sample datasets: blood, light gas oil and diesel fuels, ternary mixture, and corn samples using root mean square error of prediction (RMSEP) and correlation coefficient (R). The results show that the WOA-ELM model has the best prediction accuracy compared to full-spectrum PLS and ELM models. Therefore, the proposed method provides a novel approach for the quantitative analysis of complex samples.</p>\n </div>","PeriodicalId":15274,"journal":{"name":"Journal of Chemometrics","volume":"38 10","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Extreme Learning Machine Combined With Whale Optimization Algorithm for Spectral Quantitative Analysis of Complex Samples\",\"authors\":\"Yuxia Liu, Hao Sun, Chunyan Zhao, Changkun Ai, Xihui Bian\",\"doi\":\"10.1002/cem.3590\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n <p>Extreme learning machine (ELM) is combined with the discretized whale optimization algorithm (WOA) for spectral quantitative analysis of complex samples. In this method, the spectral variables selected by the discretized WOA were used to build the ELM model. Before establishing the model, the activation function and the number of hidden nodes in ELM as well as the transfer function of the discretized WOA are determined. Furthermore, the predictive performance of the full-spectrum partial least squares (PLS), ELM, and WOA-ELM models was compared with four complex sample datasets: blood, light gas oil and diesel fuels, ternary mixture, and corn samples using root mean square error of prediction (RMSEP) and correlation coefficient (R). The results show that the WOA-ELM model has the best prediction accuracy compared to full-spectrum PLS and ELM models. Therefore, the proposed method provides a novel approach for the quantitative analysis of complex samples.</p>\\n </div>\",\"PeriodicalId\":15274,\"journal\":{\"name\":\"Journal of Chemometrics\",\"volume\":\"38 10\",\"pages\":\"\"},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-07-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemometrics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/cem.3590\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SOCIAL WORK\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemometrics","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cem.3590","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SOCIAL WORK","Score":null,"Total":0}
引用次数: 0
摘要
极限学习机(ELM)与离散鲸鱼优化算法(WOA)相结合,用于复杂样品的光谱定量分析。在该方法中,离散鲸鱼优化算法选择的光谱变量被用于建立 ELM 模型。在建立模型之前,先确定 ELM 的激活函数和隐节点数以及离散化 WOA 的传递函数。此外,还使用预测均方根误差(RMSEP)和相关系数(R)对全谱偏最小二乘法(PLS)、ELM 和 WOA-ELM 模型的预测性能与四个复杂样本数据集进行了比较:血液、轻质汽油和柴油燃料、三元混合物和玉米样本。结果表明,与全谱 PLS 和 ELM 模型相比,WOA-ELM 模型的预测精度最高。因此,所提出的方法为复杂样品的定量分析提供了一种新方法。
Extreme Learning Machine Combined With Whale Optimization Algorithm for Spectral Quantitative Analysis of Complex Samples
Extreme learning machine (ELM) is combined with the discretized whale optimization algorithm (WOA) for spectral quantitative analysis of complex samples. In this method, the spectral variables selected by the discretized WOA were used to build the ELM model. Before establishing the model, the activation function and the number of hidden nodes in ELM as well as the transfer function of the discretized WOA are determined. Furthermore, the predictive performance of the full-spectrum partial least squares (PLS), ELM, and WOA-ELM models was compared with four complex sample datasets: blood, light gas oil and diesel fuels, ternary mixture, and corn samples using root mean square error of prediction (RMSEP) and correlation coefficient (R). The results show that the WOA-ELM model has the best prediction accuracy compared to full-spectrum PLS and ELM models. Therefore, the proposed method provides a novel approach for the quantitative analysis of complex samples.
期刊介绍:
The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.