PLS multi-step regressions in data paths

IF 3.7 2区 化学 Q2 AUTOMATION & CONTROL SYSTEMS Chemometrics and Intelligent Laboratory Systems Pub Date : 2024-06-17 DOI:10.1016/j.chemolab.2024.105167
Agnar Höskuldsson
{"title":"PLS multi-step regressions in data paths","authors":"Agnar Höskuldsson","doi":"10.1016/j.chemolab.2024.105167","DOIUrl":null,"url":null,"abstract":"<div><p>Here is presented a procedure that extends standard PLS Regression to several data matrices in a path. The basic idea is to convert the path of data matrices into interconnected regressions. Forecasts by PLS are extended to multi-step forecasts for each data matrix in the path. We study how far we can make forecasts, i.e., how far we can ‘see’ in the path. It is shown how data paths are divided into parts, where multi-step forecasting can be carried out within each part. The principles of PLS are used to suggest criteria for estimation in the regressions. These methods can be used to supervise a complex path of industrial chemical/biological processes. It is shown how expanding and contracting paths, which is common for industrial processes, can be handled. These methods can be used to carry out analysis of general path models. It is shown briefly by an example how a Structural Equations Model, SEM, can be converted into a collection of sequential paths that can be analyzed by present methods. The results suggest that conclusions made at SEM analysis may not always be reliable. The theory is applied to process data. It is shown how we work with the analysis of each regression in a similar way as in PLS.</p></div>","PeriodicalId":9774,"journal":{"name":"Chemometrics and Intelligent Laboratory Systems","volume":null,"pages":null},"PeriodicalIF":3.7000,"publicationDate":"2024-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemometrics and Intelligent Laboratory Systems","FirstCategoryId":"94","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0169743924001072","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"AUTOMATION & CONTROL SYSTEMS","Score":null,"Total":0}
引用次数: 0

Abstract

Here is presented a procedure that extends standard PLS Regression to several data matrices in a path. The basic idea is to convert the path of data matrices into interconnected regressions. Forecasts by PLS are extended to multi-step forecasts for each data matrix in the path. We study how far we can make forecasts, i.e., how far we can ‘see’ in the path. It is shown how data paths are divided into parts, where multi-step forecasting can be carried out within each part. The principles of PLS are used to suggest criteria for estimation in the regressions. These methods can be used to supervise a complex path of industrial chemical/biological processes. It is shown how expanding and contracting paths, which is common for industrial processes, can be handled. These methods can be used to carry out analysis of general path models. It is shown briefly by an example how a Structural Equations Model, SEM, can be converted into a collection of sequential paths that can be analyzed by present methods. The results suggest that conclusions made at SEM analysis may not always be reliable. The theory is applied to process data. It is shown how we work with the analysis of each regression in a similar way as in PLS.

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
数据路径中的 PLS 多步回归
这里介绍的是一种将标准 PLS 回归扩展到路径中多个数据矩阵的程序。其基本思想是将数据矩阵路径转换为相互关联的回归。PLS 预测扩展为对路径中每个数据矩阵的多步预测。我们将研究我们能预测多远,即我们能在路径中 "看到 "多远。我们展示了如何将数据路径划分为若干部分,并在每个部分内进行多步预测。PLS 原理用于提出回归估计的标准。这些方法可用于监督工业化学/生物过程的复杂路径。图中展示了如何处理工业过程中常见的扩展和收缩路径。这些方法可用于对一般路径模型进行分析。举例简要说明了如何将结构方程模型(SEM)转换为顺序路径集合,并用现有方法进行分析。结果表明,SEM 分析得出的结论并不总是可靠的。该理论适用于过程数据。结果表明,我们如何以类似于 PLS 的方式对每个回归进行分析。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
CiteScore
7.50
自引率
7.70%
发文量
169
审稿时长
3.4 months
期刊介绍: Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines. Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data. The journal deals with the following topics: 1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.) 2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered. 3) Development of new software that provides novel tools or truly advances the use of chemometrical methods. 4) Well characterized data sets to test performance for the new methods and software. The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.
期刊最新文献
LTFM: Long-tail few-shot module with loose coupling strategy for mineral spectral identification Recent applications of analytical quality-by-design methodology for chromatographic analysis: A review Layer-wise-residual-driven approach for soft sensing in composite dynamic system based on slow and fast time-varying latent variables Applicability domain of a calibration model based on neural networks and infrared spectroscopy Machine learning based modeling for estimation of drug solubility in supercritical fluid by adjusting important parameters
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1