the n-way toolbox for matlab,The N-way Toolbox for MATLAB

The N-way Toolbox for MATLAB

Claus A. Andersson (claus@andersson.dk) and

Rasmus Bro (rasmus@optimax.dk)

Royal Veterinary and Agricultural University

Dept. Dairy and Food Science – Food Technology

Rolighedsvej 30

DK-1958 Frederiksberg C

Abstract

This communication describes a free toolbox for MATLAB® for analysis of multi-way data. The toolbox is called “The N-way Toolbox for MATLAB” and is available on the Internet at http://www.models.kvl.dk/source/. This communication is by no means an attempt to summarize the extensive work done in multi-way data analysis but is

intended solely for informing the reader of the existence, functionality, and applicability of the N-way Toolbox for MATLAB.

1. Introduction

The N-way Toolbox for MATLAB® is a freely available collection of functions and algorithms for modelling multi-way data sets by a range of multi-linear models. Several types of models are covered; CANDECOMP-PARAFAC (canonical decomposition - parallel factor analysis), multi-linear PLSR (partial least squares regression),

generalised rank annihilation method (GRAM), direct tri-linear decomposition (DTLD) and the class of Tucker models. When denoting missing observations by NaN (not-a-number), the algorithms apply expectation maximization to obtain the parameters that minimize the least-squares error term.

Selected types of optional constraints have been built into the least-squares error minimisation algorithms for CANDECOMP-PARAFAC and Tucker models; non-

negativity, uni-modality, and orthogonality. Different constraints may be set up for the different modes. In addition to these constraints, the structure of the Tucker models can be forced to allow only selected factor interactions. Furthermore, three methods for core simplification by orthogonal rotations have been implemented. Most algorithms can handle any number of modes (N≥ 3) in data.

The N-way Toolbox for MATLAB can be downloaded via Internet from

http://www.models.kvl.dk/source/. Two interactive Internet courses accompany The N-way Toolbox for MATLAB, and they are available at

http://www.models.kvl.dk/courses/. Both the Tucker and the PARAFAC courses come with real and simulated multi-way data sets and are intended for training in applying the models to different kinds of problems.

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WHERE DOES THE TOOLBOX WORK? The toolbox has been tested on matlab 7.3 in Windows XP/Vista only. The toolbox uses features that are not compatible with matlab 4.x, so if you have matlab 4.x you should use version 1.04 of this toolbox instead. SETTING UP THE TOOLBOX In order to install the toolbox, simply (extract and) copy the files to a directory (e.g. NWAY). After copying all files, go to the 'update' homepage in order to see if newer versions of individual files are available. Copy these files indiviually overwriting the old files. Make sure that the updates are copied after the main files. Make sure that the path ../nway is included in MATLAB's path. If you have e.g. the PLS_toolbox, some files are named identically. This may cause problems depending on which functions you use. If you want to use e.g. the parafac function from the N-way toolbox, you have to ensure that either the path to the N-way toolbox appears before the path to the PLS_toolbox or that you run matlab from the nway directory. In order to get help on what files are present in the toolbox type <> at the matlab command line (if nway is the name of the directory where you have the files. DATA INPUT Unlike, older matlab 4 compatible versions of this toolbox, the data are input directly as multi-way arrays. Hence, there is no need for the DimX used earlier for defining the size of the array. If you have a 10x8x100 array, X, that is held in a 10x(8*100) matrix, i.e. the old matrix format, you can convert to a three-way array by X = reshape(X,10,8,100); This is the format in which the data must be input to the functions. MODEL OUTPUT Also the output has changed in most cases since version 1. With the use of cell arrays, it is much easier to handle the output of a varying number of component matrices. Let the components of a three-way parafac model is held in a cell e.g. called Factors; e.g. arising from the call of a four-component model Factors = parafac(X,3); Then the first

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