This paper addresses the problem of online quality prediction in processes with multiple operating modes. The paper proposes a new method called mixture of partial least squares regression (Mix-PLS), where the solution of the mixture of experts regression is performed using the partial least squares (PLS) algorithm. The PLS is used to tune the model experts and the gate parameters. The solution...

Partial Least Squares (PLS) methods are particularly suited to the analysis of relationships between measures of brain activity and of behavior or experimental design. In neuroimaging, PLS refers to two related methods: (1) symmetric PLS or Partial Least Squares Correlation (PLSC), and (2) asymmetric PLS or Partial Least Squares Regression (PLSR). The most popular (by far) version of PLS for ne...

Numerous experimental and computational approaches have been developed to predict human drug metabolism. Since databases of human drug metabolism information are widely available, these can be used to train computational algorithms and generate predictive approaches. In turn, they may be used to assist in the identification of possible metabolites from a large number of molecules in drug discov...

Partial least squares path modeling (PLS) has seen increased use in the information systems research community. One of the stated key advantages of PLS is that it weights the indicator variables based on the strength of the relationship between the indicators and the underlying constructs, which presumably decreases the effect of measurement error in the analysis results. In this paper we argue...

We propose a novel framework that combines penalization techniques with Partial Least Squares (PLS). We focus on two important applications. (1) We combine PLS with a roughness penalty to estimate high-dimensional regression problems with functional predictors and scalar response. (2) Starting with an additive model, we expand each variable in terms of a generous number of B-Spline basis functi...

Partial least squares (PLS) has been used in multivariate analysis of functional magnetic resonance imaging (fMRI) data as a way of incorporating information about the underlying experimental paradigm. In comparison, principal component analysis (PCA) extracts structure merely by summarizing variance and with no assurance that individual component structures are directly interpretable or that t...

When dealing with graphical Gaussian models for gene regulatory networks, the major problem is to compute the matrix of partial correlations. Based on the close connection between partial correlations and least squares regression, we suggest estimation of high-dimensional gene networks in terms of partial least squares (PLS) regression and the adaptive Lasso, respectively. In a simulation study...

Random Forests were introduced by Breiman for feature (variable) selection and improved predictions for decision tree models. The resulting model is often superior to Adaboost and bagging approaches. In this paper the random forest approach is extended for variable selection with other learning models, in this case partial least squares (PLS) and kernel partial least squares (K-PLS) to estimate...