We propose a novel probabilistic dimensionality reduction framework that can naturally integrate the generative model and the locality information of data. Based on this framework, we present a new model, which is able to learn a smooth skeleton of embedding points in a low-dimensional space from high-dimensional noisy data. The formulation of the new model can be equivalently interpreted as two coupled learning problem, i.e., structure learning and the learning of projection matrix. This interpretation motivates the learning of the embedding points that can directly form an explicit graph structure. We develop a new method to learn the embedding points that form a spanning tree, which is further extended to obtain a discriminative and compact feature representation for clustering problems. Unlike traditional clustering methods, we assume that centers of clusters should be close to each other if they are connected in a learned graph, and other cluster centers should be distant. This can greatly facilitate data visualization and scientific discovery in downstream analysis. Extensive experiments are performed that demonstrate that the proposed framework is able to obtain discriminative feature representations, and correctly recover the intrinsic structures of various real-world datasets.
Drawing on the correspondence between the graph Laplacian, the Laplace-Beltrami operator on a manifold, and the connections to the heat equation, we propose a geometrically motivated algorithm for constructing a representation for data sampled from a low dimensional manifold embedded in a higher dimensional space. The algorithm provides a computationally efficient approach to nonlinear dimensionality reduction that has locality preserving properties and a natural connection to clustering. Several applications are considered. The problem of dimensionality reduction arises in many fields of information processing, including machine learning, data compression, scientific visualization, pattern recognition, and neural computation. Here we describe locally linear embedding (LLE), an unsupervised learning algorithm that computes low dimensional, neighborhood preserving embeddings of high dimensional data. The data, assumed to be sampled from an underlying manifold, are mapped into a single global coordinate system of lower dimensionality. The mapping is derived from the symmetries of locally linear reconstructions, and the actual computation of the embedding reduces to a sparse eigenvalue problem. Notably, the optimizations in LLE---though capable of generating highly nonlinear embeddings---are simple to implement, and they do not involve local minima. In this paper, we describe the implementation of the algorithm in detail and discuss several extensions that enhance its performance. We present results of the algorithm applied to data sampled from known manifolds, as well as to collections of images of faces, lips, and handwritten digits. These examples are used to provide extensive illustrations of the algorithm's performance---both successes and failures---and to relate the algorithm to previous and ongoing work in nonlinear dimensionality reduction.