In many scientific disciplines structures in high-dimensional data have to be found, e.g., in stellar spectra, in genome data, or in face recognition tasks. In this work we present a novel approach to non-linear dimensionality reduction. It is based on fitting K-nearest neighbor regression to the unsupervised regression framework for learning of low-dimensional manifolds. Similar to related approaches that are mostly based on kernel methods, unsupervised K-nearest neighbor (UNN) regression optimizes latent variables w.r.t. the data space reconstruction error employing the K-nearest neighbor heuristic. The problem of optimizing latent neighborhoods is difficult to solve, but the UNN formulation allows the design of efficient strategies that iteratively embed latent points to fixed neighborhood topologies. UNN is well appropriate for sorting of high-dimensional data. The iterative variants are analyzed experimentally.
In the following, we give a short introduction to K-nearest neighbor regression that is basis of the UNN approach. The problem in regression is to predict output values @math to given input values @math based on sets of @math input-output examples @math . The goal is to learn a function @math known as regression function. We assume that a data set consisting of observed pairs @math is given. For a novel pattern @math , KNN regression computes the mean of the function values of its K-nearest neighbors: with set @math containing the indices of the @math -nearest neighbors of @math . The idea of KNN is based on the assumption of locality in data space: In local neighborhoods of @math patterns are expected to have similar output values @math (or class labels) to @math . Consequently, for an unknown @math the label must be similar to the labels of the closest patterns, which is modeled by the average of the output value of the @math nearest samples. KNN has been proven well in various applications, e.g., in detection of quasars in interstellar data sets @cite_6 .
@cite_6
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We consider semi-supervised regression when the predictor variables are drawn from an unknown manifold. A simple two step approach to this problem is to: (i) estimate the manifold geodesic distance between any pair of points using both the labeled and unlabeled instances; and (ii) apply a k nearest neighbor regressor based on these distance estimates. We prove that given sufficiently many unlabeled points, this simple method of geodesic kNN regression achieves the optimal finite-sample minimax bound on the mean squared error, as if the manifold were known. Furthermore, we show how this approach can be efficiently implemented, requiring only O(k N log N) operations to estimate the regression function at all N labeled and unlabeled points. We illustrate this approach on two datasets with a manifold structure: indoor localization using WiFi fingerprints and facial pose estimation. In both cases, geodesic kNN is more accurate and much faster than the popular Laplacian eigenvector regressor. The accuracy of k-nearest neighbor (kNN) classification depends significantly on the metric used to compute distances between different examples. In this paper, we show how to learn a Mahalanobis distance metric for kNN classification from labeled examples. The Mahalanobis metric can equivalently be viewed as a global linear transformation of the input space that precedes kNN classification using Euclidean distances. In our approach, the metric is trained with the goal that the k-nearest neighbors always belong to the same class while examples from different classes are separated by a large margin. As in support vector machines (SVMs), the margin criterion leads to a convex optimization based on the hinge loss. Unlike learning in SVMs, however, our approach requires no modification or extension for problems in multiway (as opposed to binary) classification. In our framework, the Mahalanobis distance metric is obtained as the solution to a semidefinite program. On several data sets of varying size and difficulty, we find that metrics trained in this way lead to significant improvements in kNN classification. Sometimes these results can be further improved by clustering the training examples and learning an individual metric within each cluster. We show how to learn and combine these local metrics in a globally integrated manner. Nearest neighbor (k-NN) graphs are widely used in machine learning and data mining applications, and our aim is to better understand what they reveal about the cluster structure of the unknown underlying distribution of points. Moreover, is it possible to identify spurious structures that might arise due to sampling variability? Our first contribution is a statistical analysis that reveals how certain subgraphs of a k-NN graph form a consistent estimator of the cluster tree of the underlying distribution of points. Our second and perhaps most important contribution is the following finite sample guarantee. We carefully work out the tradeoff between aggressive and conservative pruning and are able to guarantee the removal of all spurious cluster structures at all levels of the tree while at the same time guaranteeing the recovery of salient clusters. This is the first such finite sample result in the context of clustering. We show how to learn a Mahanalobis distance metric for k-nearest neighbor (kNN) classification by semidefinite programming. The metric is trained with the goal that the k-nearest neighbors always belong to the same class while examples from different classes are separated by a large margin. On seven data sets of varying size and difficulty, we find that metrics trained in this way lead to significant improvements in kNN classification—for example, achieving a test error rate of 1.3 on the MNIST handwritten digits. As in support vector machines (SVMs), the learning problem reduces to a convex optimization based on the hinge loss. Unlike learning in SVMs, however, our framework requires no modification or extension for problems in multiway (as opposed to binary) classification.