On the convergence of maximum variance unfolding

Maximum Variance Unfolding is one of the main methods for (nonlinear) dimensionality reduction. We study its large sample limit, providing specific rates of convergence under standard assumptions. We find that it is consistent when the underlying submanifold is isometric to a convex subset, and we provide some simple examples where it fails to be consistent

Subspace Least Squares Multidimensional Scaling

Multidimensional Scaling (MDS) is one of the most popular methods for dimensionality reduction and visualization of high dimensional data. Apart from these tasks, it also found applications in the field of geometry processing for the analysis and reconstruction of non-rigid shapes. In this regard, MDS can be thought of as a \textit{shape from metric} algorithm, consisting of finding a configuration of points in the Euclidean space that realize, as isometrically as possible, some given distance structure. In the present work we cast the least squares variant of MDS (LS-MDS) in the spectral domain. This uncovers a multiresolution property of distance scaling which speeds up the optimization by a significant amount, while producing comparable, and sometimes even better, embeddings.Comment: Scale Space and Variational Methods in Computer Vision: 6th International Conference, SSVM 2017, Kolding, Denmark, June 4-8, 201

Nonlinear feature extraction through manifold learning in an electronic tongue classification task

A nonlinear feature extraction-based approach using manifold learning algorithms is developed in order to improve the classification accuracy in an electronic tongue sensor array. The developed signal processing methodology is composed of four stages: data unfolding, scaling, feature extraction, and classification. This study aims to compare seven manifold learning algorithms: Isomap, Laplacian Eigenmaps, Locally Linear Embedding (LLE), modified LLE, Hessian LLE, Local Tangent Space Alignment (LTSA), and t-Distributed Stochastic Neighbor Embedding (t-SNE) to find the best classification accuracy in a multifrequency large-amplitude pulse voltammetry electronic tongue. A sensitivity study of the parameters of each manifold learning algorithm is also included. A data set of seven different aqueous matrices is used to validate the proposed data processing methodology. A leave-one-out cross validation was employed in 63 samples. The best accuracy (96.83%) was obtained when the methodology uses Mean-Centered Group Scaling (MCGS) for data normalization, the t-SNE algorithm for feature extraction, and k-nearest neighbors (kNN) as classifier.Peer ReviewedPostprint (published version

Spectral Dimensionality Reduction

In this paper, we study and put under a common framework a number of non-linear dimensionality reduction methods, such as Locally Linear Embedding, Isomap, Laplacian Eigenmaps and kernel PCA, which are based on performing an eigen-decomposition (hence the name 'spectral'). That framework also includes classical methods such as PCA and metric multidimensional scaling (MDS). It also includes the data transformation step used in spectral clustering. We show that in all of these cases the learning algorithm estimates the principal eigenfunctions of an operator that depends on the unknown data density and on a kernel that is not necessarily positive semi-definite. This helps to generalize some of these algorithms so as to predict an embedding for out-of-sample examples without having to retrain the model. It also makes it more transparent what these algorithm are minimizing on the empirical data and gives a corresponding notion of generalization error. Dans cet article, nous étudions et développons un cadre unifié pour un certain nombre de méthodes non linéaires de réduction de dimensionalité, telles que LLE, Isomap, LE (Laplacian Eigenmap) et ACP à noyaux, qui font de la décomposition en valeurs propres (d'où le nom "spectral"). Ce cadre inclut également des méthodes classiques telles que l'ACP et l'échelonnage multidimensionnel métrique (MDS). Il inclut aussi l'étape de transformation de données utilisée dans l'agrégation spectrale. Nous montrons que, dans tous les cas, l'algorithme d'apprentissage estime les fonctions propres principales d'un opérateur qui dépend de la densité inconnue de données et d'un noyau qui n'est pas nécessairement positif semi-défini. Ce cadre aide à généraliser certains modèles pour prédire les coordonnées des exemples hors-échantillons sans avoir à réentraîner le modèle. Il aide également à rendre plus transparent ce que ces algorithmes minimisent sur les données empiriques et donne une notion correspondante d'erreur de généralisation.non-parametric models, non-linear dimensionality reduction, kernel models, modèles non paramétriques, réduction de dimensionalité non linéaire, modèles à noyau

A survey of dimensionality reduction techniques

Experimental life sciences like biology or chemistry have seen in the recent decades an explosion of the data available from experiments. Laboratory instruments become more and more complex and report hundreds or thousands measurements for a single experiment and therefore the statistical methods face challenging tasks when dealing with such high dimensional data. However, much of the data is highly redundant and can be efficiently brought down to a much smaller number of variables without a significant loss of information. The mathematical procedures making possible this reduction are called dimensionality reduction techniques; they have widely been developed by fields like Statistics or Machine Learning, and are currently a hot research topic. In this review we categorize the plethora of dimension reduction techniques available and give the mathematical insight behind them

On landmark selection and sampling in high-dimensional data analysis

In recent years, the spectral analysis of appropriately defined kernel matrices has emerged as a principled way to extract the low-dimensional structure often prevalent in high-dimensional data. Here we provide an introduction to spectral methods for linear and nonlinear dimension reduction, emphasizing ways to overcome the computational limitations currently faced by practitioners with massive datasets. In particular, a data subsampling or landmark selection process is often employed to construct a kernel based on partial information, followed by an approximate spectral analysis termed the Nystrom extension. We provide a quantitative framework to analyse this procedure, and use it to demonstrate algorithmic performance bounds on a range of practical approaches designed to optimize the landmark selection process. We compare the practical implications of these bounds by way of real-world examples drawn from the field of computer vision, whereby low-dimensional manifold structure is shown to emerge from high-dimensional video data streams.Comment: 18 pages, 6 figures, submitted for publicatio

Exploiting Non-Linear Structure in Astronomical Data for Improved Statistical Inference

Many estimation problems in astrophysics are highly complex, with high-dimensional, non-standard data objects (e.g., images, spectra, entire distributions, etc.) that are not amenable to formal statistical analysis. To utilize such data and make accurate inferences, it is crucial to transform the data into a simpler, reduced form. Spectral kernel methods are non-linear data transformation methods that efficiently reveal the underlying geometry of observable data. Here we focus on one particular technique: diffusion maps or more generally spectral connectivity analysis (SCA). We give examples of applications in astronomy; e.g., photometric redshift estimation, prototype selection for estimation of star formation history, and supernova light curve classification. We outline some computational and statistical challenges that remain, and we discuss some promising future directions for astronomy and data mining.Comment: Invited talk at SCMA V, Penn State University, June 2011, PA. To appear in the Proceedings of "Statistical Challenges in Modern Astronomy V

Spectral Echolocation via the Wave Embedding

Spectral embedding uses eigenfunctions of the discrete Laplacian on a weighted graph to obtain coordinates for an embedding of an abstract data set into Euclidean space. We propose a new pre-processing step of first using the eigenfunctions to simulate a low-frequency wave moving over the data and using both position as well as change in time of the wave to obtain a refined metric to which classical methods of dimensionality reduction can then applied. This is motivated by the behavior of waves, symmetries of the wave equation and the hunting technique of bats. It is shown to be effective in practice and also works for other partial differential equations -- the method yields improved results even for the classical heat equation

Applying Ricci Flow to High Dimensional Manifold Learning

Traditional manifold learning algorithms often bear an assumption that the local neighborhood of any point on embedded manifold is roughly equal to the tangent space at that point without considering the curvature. The curvature indifferent way of manifold processing often makes traditional dimension reduction poorly neighborhood preserving. To overcome this drawback we propose a new algorithm called RF-ML to perform an operation on the manifold with help of Ricci flow before reducing the dimension of manifold.Comment: 18 pages, 4 figur

Geodesic Distance Function Learning via Heat Flow on Vector Fields

Learning a distance function or metric on a given data manifold is of great importance in machine learning and pattern recognition. Many of the previous works first embed the manifold to Euclidean space and then learn the distance function. However, such a scheme might not faithfully preserve the distance function if the original manifold is not Euclidean. Note that the distance function on a manifold can always be well-defined. In this paper, we propose to learn the distance function directly on the manifold without embedding. We first provide a theoretical characterization of the distance function by its gradient field. Based on our theoretical analysis, we propose to first learn the gradient field of the distance function and then learn the distance function itself. Specifically, we set the gradient field of a local distance function as an initial vector field. Then we transport it to the whole manifold via heat flow on vector fields. Finally, the geodesic distance function can be obtained by requiring its gradient field to be close to the normalized vector field. Experimental results on both synthetic and real data demonstrate the effectiveness of our proposed algorithm