Multiblock and hierarchical PCA and PLS methods have been proposed in the recent literature in order to improve the interpretability of multivariate models. They have been used in cases where the number of variables is large and additional information is available for blocking the variables into conceptually meaningful blocks. In this paper we compare these methods from a theoretical or algorithmic viewpoint using a common notation and illustrate their differences with several case studies. Undesirable properties of some of these methods, such as convergence problems or loss of data information due to deflation procedures, are pointed out and corrected where possible. It is shown that the objective function of the hierarchical PCA and hierarchical PLS methods is not clear and the corresponding algorithms may converge to different solutions depending on the initial guess of the super score. It is also shown that the results of consensus PCA (CPCA) and multiblock PLS (MBPLS) can be calculated from the standard PCA and PLS methods when the same variable scalings are applied for these methods. The standard PCA and PLS methods require less computation and give better estimation of the scores in the case of missing data. It is therefore recommended that in cases where the variables can be separated into meaningful blocks, the standard PCA and PLS methods be used to build the models and then the weights and loadings of the individual blocks and super block and the percentage variation explained in each block be calculated from the results. © 1998 John Wiley & Sons, Ltd.

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Multivariate monitoring and control schemes based on latent variable methods have been receiving increasing attention by industrial practitioners in the last 15 years. Several companies have enthusiastically adopted the methods and have reported many success stories. Applications have been reported where multivariate statistical process control, fault detection and diagnosis is achieved by utilizing the latent variable space, for continuous and batch processes, as well as, for process transitions as for example start ups and re-starts. This paper gives an overview of the latest developments in multivariate statistical process control (MSPC) and its application for fault detection and isolation (FDI) in industrial processes. It provides a critical review of the methodology and describes how it is transferred to the industrial environment. Recent applications of latent variable methods to process control as well as to image analysis for monitoring and feedback control are discussed. Finally it is emphasized that the multivariate nature of the data should be preserved when data compression and data preprocessing is applied. It is shown that univariate data compression and reconstruction may hinder the validity of multivariate analysis by introducing spurious correlations.

There has been a lot of research activity in the area of batch process analysis and monitoring for abnormal situation detection since the pioneer work of Nomikos and MacGregor [1±5]. However, some of the key ideas and the thought process that led to those first papers have been forgotten. Batch process data are dynamic data. The whole philosophy of looking at batch process data with latent variables was developed because batch process variables are both autocorrelated and crosscorrelated. Statistical process control by definition checks deviations from a nominal behavior (a target). Therefore for statistical process control of batch processes we should look at deviations of process variable trajectories from their nominal trajectories and from their nominal auto/crosscorrelations. An added advantage to modeling the deviations from the target trajectory is that a nonlinear problem is converted to a linear one that it is easy to tackle with linear latent variable methods such as principal component analysis (PCA) and partial least squares (PLS). This paper first takes a critical look at the true nature of batch process data. The general case where variables are not present during the entire duration of the batch is addressed. It is then illustrated how proper centering (by taking the deviations from the target trajectory) can retain valuable information on auto-and crosscorrelation of the process variables. This auto-and cross-correlation is only modeled with a certain types of models. Topics such as scaling and trajectory alignment are revisited and issues arising when using the indicator variable approach are addressed. The development of control charts for multiblock, multiway PCA/PLS is discussed. Practical issues related to applications in industry are addressed. Then some of the methods that have appeared in the literature are examined as to their assumptions, their advantages and disadvantages and their range of applicability. Finally the nature of transition data (start-ups, grade transitions) is discussed and issues related to aligning, centering and scaling such types of data are presented.

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