通过连续多区块 PLS 实现多变量 SPC

IF 3.7 2区 化学 Q2 AUTOMATION & CONTROL SYSTEMS Chemometrics and Intelligent Laboratory Systems Pub Date : 2024-09-21 DOI:10.1016/j.chemolab.2024.105236
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引用次数: 0

摘要

本文提出了顺序多区块偏最小二乘法(SMB-PLS),用于实施多元统计过程控制方案。当系统由多个区块组成,这些区块按顺序排列,并提供相关信息时,SMB-PLS 就能发挥作用,例如,先是原材料属性区块,然后是根据原材料属性进行操作的过程变量区块。SMB-PLS 使用正交化方法将模块间的相关信息从正交变化中分离出来。这样,在不同阶段对系统进行监控时,只需考虑每个区块中剩余的正交部分。因此,SMB-PLS 增加了模型构建(第一阶段)的可解释性和过程理解,因为它提供了对系统变化性质的深刻理解。此外,它还能防止任何特殊原因传播到后续区块,使其能够用于模型开发(第二阶段)。该方法适用于食品生产过程中的实际案例研究。
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Multivariate SPC via sequential multiblock-PLS
The sequential multi-block partial least squares (SMB-PLS) is proposed for implementing a multivariate statistical process control scheme. This is of interest when the system is composed of several blocks following a sequential order and presenting correlated information, for instance, a raw material properties block followed by a process variables block that is manipulated according to raw material properties. The SMB-PLS uses orthogonalization to separate correlated information between blocks from orthogonal variations. This allows monitoring the system in different stages considering only the remaining orthogonal part in each block. Thus, the SMB-PLS increases the interpretability and process understanding in the model building (Phase I), since it provides a deep insight about the nature of the system variations. Besides, it prevents any special cause from propagating to subsequent blocks enabling their use in the model exploitation (Phase II). The methodology is applied to a real case study from a food manufacturing process.
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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.
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