Dimensionality Reduction Mappings

A wealth of powerful dimensionality reduction methods has been established which can be used for data visualization and preprocessing. These are accompanied by formal evaluation schemes, which allow a quantitative evaluation along general principles and which even lead to further visualization schemes based on these objectives. Most methods, however, provide a mapping of a priorly given finite set of points only, requiring additional steps for out-of-sample extensions. We propose a general view on dimensionality reduction based on the concept of cost functions, and, based on this general principle, extend dimensionality reduction to explicit mappings of the data manifold. This offers simple out-of-sample extensions. Further, it opens a way towards a theory of data visualization taking the perspective of its generalization ability to new data points. We demonstrate the approach based on a simple global linear mapping as well as prototype-based local linear mappings.

Asymptotic Generalization Bound of Fisher's Linear Discriminant Analysis

Fisher's linear discriminant analysis (FLDA) is an important dimension reduction method in statistical pattern recognition. It has been shown that FLDA is asymptotically Bayes optimal under the homoscedastic Gaussian assumption. However, this classical result has the following two major limitations: 1) it holds only for a fixed dimensionality $D$, and thus does not apply when $D$ and the training sample size $N$ are proportionally large; 2) it does not provide a quantitative description on how the generalization ability of FLDA is affected by $D$ and $N$. In this paper, we present an asymptotic generalization analysis of FLDA based on random matrix theory, in a setting where both $D$ and $N$ increase and $D/N\longrightarrow\gamma\in[0,1)$. The obtained lower bound of the generalization discrimination power overcomes both limitations of the classical result, i.e., it is applicable when $D$ and $N$ are proportionally large and provides a quantitative description of the generalization ability of FLDA in terms of the ratio $\gamma=D/N$ and the population discrimination power. Besides, the discrimination power bound also leads to an upper bound on the generalization error of binary-classification with FLDA

Uncertainty-Aware Principal Component Analysis

We present a technique to perform dimensionality reduction on data that is subject to uncertainty. Our method is a generalization of traditional principal component analysis (PCA) to multivariate probability distributions. In comparison to non-linear methods, linear dimensionality reduction techniques have the advantage that the characteristics of such probability distributions remain intact after projection. We derive a representation of the PCA sample covariance matrix that respects potential uncertainty in each of the inputs, building the mathematical foundation of our new method: uncertainty-aware PCA. In addition to the accuracy and performance gained by our approach over sampling-based strategies, our formulation allows us to perform sensitivity analysis with regard to the uncertainty in the data. For this, we propose factor traces as a novel visualization that enables to better understand the influence of uncertainty on the chosen principal components. We provide multiple examples of our technique using real-world datasets. As a special case, we show how to propagate multivariate normal distributions through PCA in closed form. Furthermore, we discuss extensions and limitations of our approach

Some steps towards a general principle for dimensionality reduction mappings

In the past years, many dimensionality reduction methods have been established which allow to visualize high dimensional data sets. Recently, also formal evaluation schemes have been proposed for data visualization, which allow a quantitative evaluation along general principles. Most techniques provide a mapping of a priorly given finite set of points only, requiring additional steps for out-of-sample extensions. We propose a general view on dimensionality reduction based on the concept of cost functions, and, based on this general principle, extend dimensionality reduction to explicit mappings of the data manifold. This offers the possibility of simple out-of-sample extensions. Further, it opens a way towards a theory of data visualization taking the perspective of its generalization ability to new data points. We demonstrate the approach based in a simple example

Nonlinear Supervised Dimensionality Reduction via Smooth Regular Embeddings

The recovery of the intrinsic geometric structures of data collections is an important problem in data analysis. Supervised extensions of several manifold learning approaches have been proposed in the recent years. Meanwhile, existing methods primarily focus on the embedding of the training data, and the generalization of the embedding to initially unseen test data is rather ignored. In this work, we build on recent theoretical results on the generalization performance of supervised manifold learning algorithms. Motivated by these performance bounds, we propose a supervised manifold learning method that computes a nonlinear embedding while constructing a smooth and regular interpolation function that extends the embedding to the whole data space in order to achieve satisfactory generalization. The embedding and the interpolator are jointly learnt such that the Lipschitz regularity of the interpolator is imposed while ensuring the separation between different classes. Experimental results on several image data sets show that the proposed method outperforms traditional classifiers and the supervised dimensionality reduction algorithms in comparison in terms of classification accuracy in most settings