{"title":"Firefly Interval Selection Combined With Extreme Learning Machine for Spectral Quantification of Complex Samples","authors":"Shuyu Wang, Xudong Zhang, Prisca Mpango, Hao Sun, Xihui Bian","doi":"10.1002/cem.3578","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>Firefly algorithm (FA) combined with extreme learning machine (ELM) is developed for spectral interval selection and quantitative analysis of complex samples. The method firstly segments the spectra into a certain number of intervals. Vectors with 1 and 0, which represent the interval selected or not, are used as the inputs of the FA. The RMSEP value predicted by ELM model is used as the fitness function of the FA. The activation function and number of hidden layer nodes of ELM, number of spectral intervals, population number, environmental absorbance, and constant of FA are optimized. The predictive performance of FA-ELM is compared with full-spectrum PLS, ELM, genetic algorithm-ELM (GA-ELM), and particle swarm optimization-ELM (PSO-ELM) by one ultraviolet (UV) spectrum dataset of gasoil and three near-infrared (NIR) spectral datasets of corn, wheat, and tablet samples. The results show that FA-ELM has a better performance compared with its competitors in predicting monoaromatics, water, wheat kernel texture, and active pharmaceutical ingredients (APIs) in gasoil, corn, wheat, and tablet samples.</p>\n </div>","PeriodicalId":15274,"journal":{"name":"Journal of Chemometrics","volume":"38 9","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2024-07-01","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.3578","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
Abstract
Firefly algorithm (FA) combined with extreme learning machine (ELM) is developed for spectral interval selection and quantitative analysis of complex samples. The method firstly segments the spectra into a certain number of intervals. Vectors with 1 and 0, which represent the interval selected or not, are used as the inputs of the FA. The RMSEP value predicted by ELM model is used as the fitness function of the FA. The activation function and number of hidden layer nodes of ELM, number of spectral intervals, population number, environmental absorbance, and constant of FA are optimized. The predictive performance of FA-ELM is compared with full-spectrum PLS, ELM, genetic algorithm-ELM (GA-ELM), and particle swarm optimization-ELM (PSO-ELM) by one ultraviolet (UV) spectrum dataset of gasoil and three near-infrared (NIR) spectral datasets of corn, wheat, and tablet samples. The results show that FA-ELM has a better performance compared with its competitors in predicting monoaromatics, water, wheat kernel texture, and active pharmaceutical ingredients (APIs) in gasoil, corn, wheat, and tablet 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.