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Nonlinear component analysis as a kernel eigenvalue problem

, 1996
"... We describe a new method for performing a nonlinear form of Principal Component Analysis. By the use of integral operator kernel functions, we can efficiently compute principal components in highdimensional feature spaces, related to input space by some nonlinear map; for instance the space of all ..."
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Cited by 1573 (83 self)
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We describe a new method for performing a nonlinear form of Principal Component Analysis. By the use of integral operator kernel functions, we can efficiently compute principal components in highdimensional feature spaces, related to input space by some nonlinear map; for instance the space of all possible 5pixel products in 16x16 images. We give the derivation of the method, along with a discussion of other techniques which can be made nonlinear with the kernel approach; and present first experimental results on nonlinear feature extraction for pattern recognition.
Surface reconstruction from unorganized points
 COMPUTER GRAPHICS (SIGGRAPH ’92 PROCEEDINGS)
, 1992
"... We describe and demonstrate an algorithm that takes as input an unorganized set of points fx1�:::�xng IR 3 on or near an unknown manifold M, and produces as output a simplicial surface that approximates M. Neither the topology, the presence of boundaries, nor the geometry of M are assumed to be know ..."
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Cited by 815 (8 self)
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We describe and demonstrate an algorithm that takes as input an unorganized set of points fx1�:::�xng IR 3 on or near an unknown manifold M, and produces as output a simplicial surface that approximates M. Neither the topology, the presence of boundaries, nor the geometry of M are assumed to be known in advance — all are inferred automatically from the data. This problem naturally arises in a variety of practical situations such as range scanning an object from multiple view points, recovery of biological shapes from twodimensional slices, and interactive surface sketching.
ModelBased Clustering, Discriminant Analysis, and Density Estimation
 JOURNAL OF THE AMERICAN STATISTICAL ASSOCIATION
, 2000
"... Cluster analysis is the automated search for groups of related observations in a data set. Most clustering done in practice is based largely on heuristic but intuitively reasonable procedures and most clustering methods available in commercial software are also of this type. However, there is little ..."
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Cited by 573 (29 self)
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Cluster analysis is the automated search for groups of related observations in a data set. Most clustering done in practice is based largely on heuristic but intuitively reasonable procedures and most clustering methods available in commercial software are also of this type. However, there is little systematic guidance associated with these methods for solving important practical questions that arise in cluster analysis, such as \How many clusters are there?", "Which clustering method should be used?" and \How should outliers be handled?". We outline a general methodology for modelbased clustering that provides a principled statistical approach to these issues. We also show that this can be useful for other problems in multivariate analysis, such as discriminant analysis and multivariate density estimation. We give examples from medical diagnosis, mineeld detection, cluster recovery from noisy data, and spatial density estimation. Finally, we mention limitations of the methodology, a...
Mixtures of Probabilistic Principal Component Analysers
, 1998
"... 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 com ..."
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Cited by 532 (6 self)
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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 maximumlikelihood framework, based on a specific form of Gaussian latent variable model. This leads to a welldefined 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 applicat...
How many clusters? Which clustering method? Answers via modelbased cluster analysis
 THE COMPUTER JOURNAL
, 1998
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GTM: The generative topographic mapping
 Neural Computation
, 1998
"... Latent variable models represent the probability density of data in a space of several dimensions in terms of a smaller number of latent, or hidden, variables. A familiar example is factor analysis which is based on a linear transformations between the latent space and the data space. In this paper ..."
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Cited by 361 (6 self)
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Latent variable models represent the probability density of data in a space of several dimensions in terms of a smaller number of latent, or hidden, variables. A familiar example is factor analysis which is based on a linear transformations between the latent space and the data space. In this paper we introduce a form of nonlinear latent variable model called the Generative Topographic Mapping for which the parameters of the model can be determined using the EM algorithm. GTM provides a principled alternative to the widely used SelfOrganizing Map (SOM) of Kohonen (1982), and overcomes most of the significant limitations of the SOM. We demonstrate the performance of the GTM algorithm on a toy problem and on simulated data from flow diagnostics for a multiphase oil pipeline. Copyright c○MIT Press (1998). 1
Kernel principal component analysis
 ADVANCES IN KERNEL METHODS  SUPPORT VECTOR LEARNING
, 1999
"... A new method for performing a nonlinear form of Principal Component Analysis is proposed. By the use of integral operator kernel functions, one can efficiently compute principal components in highdimensional feature spaces, related to input space by some nonlinear map; for instance the space of all ..."
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Cited by 274 (7 self)
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A new method for performing a nonlinear form of Principal Component Analysis is proposed. By the use of integral operator kernel functions, one can efficiently compute principal components in highdimensional feature spaces, related to input space by some nonlinear map; for instance the space of all possible dpixel products in images. We give the derivation of the method and present experimental results on polynomial feature extraction for pattern recognition.
Principal manifolds and nonlinear dimensionality reduction via tangent space alignment
 SIAM JOURNAL ON SCIENTIFIC COMPUTING
, 2004
"... Nonlinear manifold learning from unorganized data points is a very challenging unsupervised learning and data visualization problem with a great variety of applications. In this paper we present a new algorithm for manifold learning and nonlinear dimension reduction. Based on a set of unorganized ..."
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Cited by 261 (15 self)
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Nonlinear manifold learning from unorganized data points is a very challenging unsupervised learning and data visualization problem with a great variety of applications. In this paper we present a new algorithm for manifold learning and nonlinear dimension reduction. Based on a set of unorganized data points sampled with noise from the manifold, we represent the local geometry of the manifold using tangent spaces learned by fitting an affine subspace in a neighborhood of each data point. Those tangent spaces are aligned to give the internal global coordinates of the data points with respect to the underlying manifold by way of a partial eigendecomposition of the neighborhood connection matrix. We present a careful error analysis of our algorithm and show that the reconstruction errors are of secondorder accuracy. We illustrate our algorithm using curves and surfaces both in 2D/3D and higher dimensional Euclidean spaces, and 64by64 pixel face images with various pose and lighting conditions. We also address several theoretical and algorithmic issues for further research and improvements.
Charting a Manifold
 Advances in Neural Information Processing Systems 15
, 2003
"... this paper we use m i ( j ) N ( j ; i , s ), with the scale parameter s specifying the expected size of a neighborhood on the manifold in sample space. A reasonable choice is s = r/2, so that 2erf(2) > 99.5% of the density of m i ( j ) is contained in the area around y i where the manifold i ..."
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Cited by 206 (7 self)
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this paper we use m i ( j ) N ( j ; i , s ), with the scale parameter s specifying the expected size of a neighborhood on the manifold in sample space. A reasonable choice is s = r/2, so that 2erf(2) > 99.5% of the density of m i ( j ) is contained in the area around y i where the manifold is expected to be locally linear. With uniform p i and i , m i ( j ) and fixed, the MAP estimates of the GMM covariances are S i = m i ( j ) (y j i )(y j i ) # + ( j i )( j i ) # +S j m i ( j ) . (3) Note that each covariance S i is dependent on all other S j . The MAP estimators for all covariances can be arranged into a set of fully constrained linear equations and solved exactly for their mutually optimal values. This key step brings nonlocal information about the manifold's shape into the local description of each neighborhood, ensuring that adjoining neighborhoods have similar covariances and small angles between their respective subspaces. Even if a local subset of data points are dense in a direction perpendicular to the manifold, the prior encourages the local chart to orient parallel to the manifold as part of a globally optimal solution, protecting against a pathology noted in [8]. Equation (3) is easily adapted to give a reduced number of charts and/or charts centered on local centroids. 4 Connecting the charts We now build a connection for set of charts specified as an arbitrary nondegenerate GMM. A GMM gives a soft partitioning of the dataset into neighborhoods of mean k and covariance S k . The optimal variancepreserving lowdimensional coordinate system for each neighborhood derives from its weighted principal component analysis, which is exactly specified by the eigenvectors of its covariance matrix: Eigendecompose V k L k V # k S k with...
Learning with Labeled and Unlabeled Data
, 2001
"... In this paper, on the one hand, we aim to give a review on literature dealing with the problem of supervised learning aided by additional unlabeled data. On the other hand, being a part of the author's first year PhD report, the paper serves as a frame to bundle related work by the author as we ..."
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Cited by 202 (3 self)
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In this paper, on the one hand, we aim to give a review on literature dealing with the problem of supervised learning aided by additional unlabeled data. On the other hand, being a part of the author's first year PhD report, the paper serves as a frame to bundle related work by the author as well as numerous suggestions for potential future work. Therefore, this work contains more speculative and partly subjective material than the reader might expect from a literature review. We give a rigorous definition of the problem and relate it to supervised and unsupervised learning. The crucial role of prior knowledge is put forward, and we discuss the important notion of inputdependent regularization. We postulate a number of baseline methods, being algorithms or algorithmic schemes which can more or less straightforwardly be applied to the problem, without the need for genuinely new concepts. However, some of them might serve as basis for a genuine method. In the literature revi...