This survey provides an overview of higher-order tensor decompositions, their applications, and available software. A tensor is a multidimensional or $N$-way array. Decompositions of higher-order tensors (i.e., $N$-way arrays with $N \geq 3$) have applications in psycho-metrics, chemometrics, signal processing, numerical linear algebra, computer vision, numerical analysis, data mining, neuroscience, graph analysis, and elsewhere. Two particular tensor decompositions can be considered to be higher-order extensions of the matrix singular value decomposition: CANDECOMP/PARAFAC (CP) decomposes a tensor as a sum of rank-one tensors, and the Tucker decomposition is a higher-order form of principal component analysis. There are many other tensor decompositions, including INDSCAL, PARAFAC2, CANDELINC, DEDICOM, and PARATUCK2 as well as nonnegative variants of all of the above. The N-way Toolbox, Tensor Toolbox, and Multilinear Engine are examples of software packages for working with tensors.

/pdf/tensor-decompositions-and-applications-46vl2ih5gn.pdf

Tensor Decompositions and Applications

https://www.cs.cmu.edu/~pmuthuku/mlsp_page/lectures/Parafac.pdf

PARAFAC. Tutorial and applications

Matrix Differential Calculus with Applications in Statistics and Econometrics

Principal component analysis is one of the most important and powerful methods in chemometrics as well as in a wealth of other areas. This paper provides a description of how to understand, use, and interpret principal component analysis. The paper focuses on the use of principal component analysis in typical chemometric areas but the results are generally applicable.

/pdf/principal-component-analysis-1sba76ou47.pdf

Principal component analysis

A review of variable selection methods in Partial Least Squares Regression

This paper gives an introduction to multivariate calibration from a chemometrics perspective and reviews the various proposals to generalize the well-established univariate methodology to the multivariate domain. Univariate calibration leads to relatively simple models with a sound statistical underpinning. The associated uncertainty estimation and figures of merit are thoroughly covered in several official documents. However, univariate model predictions for unknown samples are only reliable if the signal is sufficiently selective for the analyte of interest. By contrast, multivariate calibration methods may produce valid predictions also from highly unselective data. A case in point is quantification from near-infrared (NIR) spectra. With the ever-increasing sophistication of analytical instruments inevitably comes a suite of multivariate calibration methods, each with its own underlying assumptions and statistical properties. As a result, uncertainty estimation and figures of merit for multivariate calibration methods has become a subject of active research, especially in the field of chemometrics.

/pdf/uncertainty-estimation-and-figures-of-merit-for-multivariate-4bdv6wy3v9.pdf

Nicolaas (Klaas) M. Faber

Papers

Uncertainty estimation and figures of merit for multivariate calibration (IUPAC Technical Report)

Recent developments in CANDECOMP/PARAFAC algorithms: a critical review

How to avoid over-fitting in multivariate calibration--the conventional validation approach and an alternative.

Prediction of pork quality attributes from near infrared reflectance spectra

Standard error of prediction for multiway PLS 1 : background and a simulation study