Dimensionality reduction in complex models

As a part of the Managing Uncertainty in Complex Models (MUCM) project, research at Aston University will develop methods for dimensionality reduction of the input and/or output spaces of models, as seen within the emulator framework. Towards this end this report describes a framework for generating toy datasets, whose underlying structure is understood, to facilitate early investigations of dimensionality reduction methods and to gain a deeper understanding of the algorithms employed, both in terms of how effective they are for given types of models / situations, and also their speed in applications and how this scales with various factors. The framework, which allows the evaluation of both screening and projection approaches to dimensionality reduction, is described. We also describe the screening and projection methods currently under consideration and present some preliminary results. The aim of this draft of the report is to solicit feedback from the project team on the dataset generation framework, the methods we propose to use, and suggestions for extensions that should be considered.

Exploratory database visualisation: the application and assessment of data and dimensionality reduction

This thesis describes the development of a complete data visualisation system for large tabular databases, such as those commonly found in a business environment. A state-of-the-art 'cyberspace cell' data visualisation technique was investigated and a powerful visualisation system using it was implemented. Although allowing databases to be explored and conclusions drawn, it had several drawbacks, the majority of which were due to the three-dimensional nature of the visualisation. A novel two-dimensional generic visualisation system, known as MADEN, was then developed and implemented, based upon a 2-D matrix of 'density plots'. MADEN allows an entire high-dimensional database to be visualised in one window, while permitting close analysis in 'enlargement' windows. Selections of records can be made and examined, and dependencies between fields can be investigated in detail. MADEN was used as a tool for investigating and assessing many data processing algorithms, firstly data-reducing (clustering) methods, then dimensionality-reducing techniques. These included a new 'directed' form of principal components analysis, several novel applications of artificial neural networks, and discriminant analysis techniques which illustrated how groups within a database can be separated. To illustrate the power of the system, MADEN was used to explore customer databases from two financial institutions, resulting in a number of discoveries which would be of interest to a marketing manager. Finally, the database of results from the 1992 UK Research Assessment Exercise was analysed. Using MADEN allowed both universities and disciplines to be graphically compared, and supplied some startling revelations, including empirical evidence of the 'Oxbridge factor'.

Mixtures of probabilistic principal component analysers

Principal component analysis (PCA) is one of the most popular techniques for processing, compressing and visualising data, although its effectiveness is limited by its global linearity. While nonlinear variants of PCA have been proposed, an alternative paradigm is to capture data complexity by a combination of local linear PCA projections. However, conventional PCA does not correspond to a probability density, and so there is no unique way to combine PCA models. Previous attempts to formulate mixture models for PCA have therefore to some extent been ad hoc. In this paper, PCA is formulated within a maximum-likelihood framework, based on a specific form of Gaussian latent variable model. This leads to a well-defined mixture model for probabilistic principal component analysers, whose parameters can be determined using an EM algorithm. We discuss the advantages of this model in the context of clustering, density modelling and local dimensionality reduction, and we demonstrate its application to image compression and handwritten digit recognition.

Visualisation and browsing of image databases

In this chapter we provide a comprehensive overview of the emerging field of visualising and browsing image databases. We start with a brief introduction to content-based image retrieval and the traditional query-by-example search paradigm that many retrieval systems employ. We specify the problems associated with this type of interface, such as users not being able to formulate a query due to not having a target image or concept in mind. The idea of browsing systems is then introduced as a means to combat these issues, harnessing the cognitive power of the human mind in order to speed up image retrieval.We detail common methods in which the often high-dimensional feature data extracted from images can be used to visualise image databases in an intuitive way. Systems using dimensionality reduction techniques, such as multi-dimensional scaling, are reviewed along with those that cluster images using either divisive or agglomerative techniques as well as graph-based visualisations. While visualisation of an image collection is useful for providing an overview of the contained images, it forms only part of an image database navigation system. We therefore also present various methods provided by these systems to allow for interactive browsing of these datasets. A further area we explore are user studies of systems and visualisations where we look at the different evaluations undertaken in order to test usability and compare systems, and highlight the key findings from these studies. We conclude the chapter with several recommendations for future work in this area. © 2011 Springer-Verlag Berlin Heidelberg.

Generalized KPCA by adaptive rules in feature space

Principal component analysis (PCA) is well recognized in dimensionality reduction, and kernel PCA (KPCA) has also been proposed in statistical data analysis. However, KPCA fails to detect the nonlinear structure of data well when outliers exist. To reduce this problem, this paper presents a novel algorithm, named iterative robust KPCA (IRKPCA). IRKPCA works well in dealing with outliers, and can be carried out in an iterative manner, which makes it suitable to process incremental input data. As in the traditional robust PCA (RPCA), a binary field is employed for characterizing the outlier process, and the optimization problem is formulated as maximizing marginal distribution of a Gibbs distribution. In this paper, this optimization problem is solved by stochastic gradient descent techniques. In IRKPCA, the outlier process is in a high-dimensional feature space, and therefore kernel trick is used. IRKPCA can be regarded as a kernelized version of RPCA and a robust form of kernel Hebbian algorithm. Experimental results on synthetic data demonstrate the effectiveness of IRKPCA. © 2010 Taylor & Francis.

Semi-supervised Gaussian process latent variable model with pairwise constraints

In machine learning, Gaussian process latent variable model (GP-LVM) has been extensively applied in the field of unsupervised dimensionality reduction. When some supervised information, e.g., pairwise constraints or labels of the data, is available, the traditional GP-LVM cannot directly utilize such supervised information to improve the performance of dimensionality reduction. In this case, it is necessary to modify the traditional GP-LVM to make it capable of handing the supervised or semi-supervised learning tasks. For this purpose, we propose a new semi-supervised GP-LVM framework under the pairwise constraints. Through transferring the pairwise constraints in the observed space to the latent space, the constrained priori information on the latent variables can be obtained. Under this constrained priori, the latent variables are optimized by the maximum a posteriori (MAP) algorithm. The effectiveness of the proposed algorithm is demonstrated with experiments on a variety of data sets. © 2010 Elsevier B.V.