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@article{Balasubramanian2002isomap, author = {Balasubramanian, M. and Schwartz, E. L.}, title = {The isomap algorithm and topological stability}, journal = {Science}, year = {2002}, volume = {295}, pages = {7}, number = {5552}, month = {Jan}, doi = {10.1126/science.295.5552.7a}, pdf = {../local/Balasubramanian2002isomap.pdf}, file = {Balasubramanian2002isomap.pdf:local/Balasubramanian2002isomap.pdf:PDF}, keywords = {dimred}, pii = {295/5552/7a}, url = {http://dx.doi.org/10.1126/science.295.5552.7a} }
@article{Belkin2003Laplacian, author = {Belkin, M. and Niyogi, P.}, title = {Laplacian {E}igenmaps for {D}imensionality {R}eduction and {D}ata {R}epresentation}, journal = {Neural {C}omput.}, year = {2003}, volume = {15}, pages = {1373-1396}, number = {6}, abstract = {One of the central problems in machine learning and pattern recognition is to develop appropriate representations for complex data. {W}e consider the problem of constructing a representation for data lying on a low-dimensional manifold embedded in a high-dimensional space. {D}rawing on the correspondence between the graph {L}aplacian, the {L}aplace {B}eltrami operator on the manifold, and the connections to the heat equation, we propose a geometrically motivated algorithm for representing the high-dimensional data. {T}he algorithm provides a computationally efficient approach to nonlinear dimensionality reduction that has locality-preserving properties and a natural connection to clustering. {S}ome potential applications and illustrative examples are discussed.}, pdf = {../local/1373.pdf:http\}, file = {1373.pdf:http\://neco.mitpress.org/cgi/reprint/15/6/1373.pdf:PDF}, keywords = {dimred}, url = {http://neco.mitpress.org/cgi/content/abstract/15/6/1373} }
@article{Bengio2004Learning, author = {Bengio, Y. and Delalleau, O. and Le Roux, N. and Paiement, J.-F. and Vincent, P. and Ouimet, M.}, title = {Learning eigenfunctions links spectral embedding and kernel {PCA}.}, journal = {Neural {C}omput.}, year = {2004}, volume = {16}, pages = {2197-219}, number = {10}, month = {Oct}, abstract = {In this letter, we show a direct relation between spectral embedding methods and kernel principal components analysis and how both are special cases of a more general learning problem: learning the principal eigenfunctions of an operator defined from a kernel and the unknown data-generating density. {W}hereas spectral embedding methods provided only coordinates for the training points, the analysis justifies a simple extension to out-of-sample examples (the {N}yström formula) for multidimensional scaling ({MDS}), spectral clustering, {L}aplacian eigenmaps, locally linear embedding ({LLE}), and {I}somap. {T}he analysis provides, for all such spectral embedding methods, the definition of a loss function, whose empirical average is minimized by the traditional algorithms. {T}he asymptotic expected value of that loss defines a generalization performance and clarifies what these algorithms are trying to learn. {E}xperiments with {LLE}, {I}somap, spectral clustering, and {MDS} show that this out-of-sample embedding formula generalizes well, with a level of error comparable to the effect of small perturbations of the training set on the embedding.}, doi = {10.1162/0899766041732396}, pdf = {../local/Bengio2004Learning.pdf}, file = {Bengio2004Learning.pdf:local/Bengio2004Learning.pdf:PDF}, keywords = {dimred}, url = {http://dx.doi.org/10.1162/0899766041732396} }
@article{Donoho2003Hessian, author = {Donoho, D. L. and Grimes, C.}, title = {Hessian eigenmaps: {L}ocally linear embedding techniques for high-dimensional data}, journal = {Proc. {N}atl. {A}cad. {S}ci. {USA}}, year = {2003}, volume = {100}, pages = {5591-5596}, number = {10}, doi = {10.1073/pnas.1031596100}, pdf = {../local/5591.pdf:http\}, file = {5591.pdf:http\://www.pnas.org/cgi/reprint/100/10/5591.pdf:PDF}, keywords = {dimred}, url = {http://www.pnas.org/cgi/content/abstract/100/10/5591} }
@article{LHeureux2004Locally, author = {L'Heureux, P. J. and Carreau, J. and Bengio, Y. and Delalleau, O. and Yue, S. Y.}, title = {Locally linear embedding for dimensionality reduction in {QSAR}.}, journal = {J. {C}omput. {A}ided {M}ol. {D}es.}, year = {2004}, volume = {18}, pages = {475-82}, number = {7-9}, abstract = {Current practice in {Q}uantitative {S}tructure {A}ctivity {R}elationship ({QSAR}) methods usually involves generating a great number of chemical descriptors and then cutting them back with variable selection techniques. {V}ariable selection is an effective method to reduce the dimensionality but may discard some valuable information. {T}his paper introduces {L}ocally {L}inear {E}mbedding ({LLE}), a local non-linear dimensionality reduction technique, that can statistically discover a low-dimensional representation of the chemical data. {LLE} is shown to create more stable representations than other non-linear dimensionality reduction algorithms, and to be capable of capturing non-linearity in chemical data.}, doi = {10.1007/s10822-004-5319-9}, pdf = {../local/LHeureux2004Locally.pdf}, file = {LHeureux2004Locally.pdf:local/LHeureux2004Locally.pdf:PDF}, keywords = {dimred}, url = {http://dx.doi.org/10.1007/s10822-004-5319-9} }
@article{Nilsson2004Approximate, author = {Nilsson, J. and Fioretos, T. and Höglund, M. and Fontes, M.}, title = {Approximate geodesic distances reveal biologically relevant structures in microarray data.}, journal = {Bioinformatics}, year = {2004}, volume = {20}, pages = {874-80}, number = {6}, month = {Apr}, abstract = {M{OTIVATION}: {G}enome-wide gene expression measurements, as currently determined by the microarray technology, can be represented mathematically as points in a high-dimensional gene expression space. {G}enes interact with each other in regulatory networks, restricting the cellular gene expression profiles to a certain manifold, or surface, in gene expression space. {T}o obtain knowledge about this manifold, various dimensionality reduction methods and distance metrics are used. {F}or data points distributed on curved manifolds, a sensible distance measure would be the geodesic distance along the manifold. {I}n this work, we examine whether an approximate geodesic distance measure captures biological similarities better than the traditionally used {E}uclidean distance. {RESULTS}: {W}e computed approximate geodesic distances, determined by the {I}somap algorithm, for one set of lymphoma and one set of lung cancer microarray samples. {C}ompared with the ordinary {E}uclidean distance metric, this distance measure produced more instructive, biologically relevant, visualizations when applying multidimensional scaling. {T}his suggests the {I}somap algorithm as a promising tool for the interpretation of microarray data. {F}urthermore, the results demonstrate the benefit and importance of taking nonlinearities in gene expression data into account.}, doi = {10.1093/bioinformatics/btg496}, pdf = {../local/Nilsson2004Approximate.pdf}, file = {Nilsson2004Approximate.pdf:local/Nilsson2004Approximate.pdf:PDF}, keywords = {dimred}, pii = {btg496}, url = {http://dx.doi.org/10.1093/bioinformatics/btg496} }
@article{Roweis2000Nonlinear, author = {Roweis, S. T. and Saul, L. K.}, title = {Nonlinear dimensionality reduction by locally linear embedding.}, journal = {Science}, year = {2000}, volume = {290}, pages = {2323-6}, number = {5500}, month = {Dec}, abstract = {Many areas of science depend on exploratory data analysis and visualization. {T}he need to analyze large amounts of multivariate data raises the fundamental problem of dimensionality reduction: how to discover compact representations of high-dimensional data. {H}ere, we introduce locally linear embedding ({LLE}), an unsupervised learning algorithm that computes low-dimensional, neighborhood-preserving embeddings of high-dimensional inputs. {U}nlike clustering methods for local dimensionality reduction, {LLE} maps its inputs into a single global coordinate system of lower dimensionality, and its optimizations do not involve local minima. {B}y exploiting the local symmetries of linear reconstructions, {LLE} is able to learn the global structure of nonlinear manifolds, such as those generated by images of faces or documents of text.}, doi = {10.1126/science.290.5500.2323}, pdf = {../local/Roweis2000Nonlinear.pdf}, file = {Roweis2000Nonlinear.pdf:local/Roweis2000Nonlinear.pdf:PDF}, keywords = {dimred}, pii = {290/5500/2323}, url = {http://dx.doi.org/10.1126/science.290.5500.2323} }
@article{Saul2003Think, author = {Saul, L. K. and Roweis, S. T.}, title = {Think {G}lobally, {F}it {L}ocally: {U}nsupervised {L}earning of {L}ow {D}imensional {M}anifolds}, journal = {J. {M}ach. {L}earn. {R}es.}, year = {2003}, volume = {4}, pages = {119-155}, abstract = {The problem of dimensionality reduction arises in many fields of information processing, including machine learning, data compression, scientific visualization, pattern recognition, and neural computation. {H}ere we describe locally linear embedding ({LLE}), an unsupervised learning algorithm that computes low dimensional, neighborhood preserving embeddings of high dimensional data. {T}he data, assumed to be sampled from an underlying manifold, are mapped into a single global coordinate system of lower dimensionality. {T}he mapping is derived from the symmetries of locally linear reconstructions, and the actual computation of the embedding reduces to a sparse eigenvalue problem. {N}otably, the optimizations in {LLE}---though capable of generating highly nonlinear embeddings---are simple to implement, and they do not involve local minima. {I}n this paper, we describe the implementation of the algorithm in detail and discuss several extensions that enhance its performance. {W}e 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. {T}hese 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.}, pdf = {../local/saul03a.pdf:http\}, file = {saul03a.pdf:http\://www.jmlr.org/papers/volume4/saul03a/saul03a.pdf:PDF}, keywords = {dimred}, url = {http://www.jmlr.org/papers/v4/saul03a.html} }
@article{Tenenbaum2000global, author = {Tenenbaum, J. B. and de Silva, V. and Langford, J. C.}, title = {A global geometric framework for nonlinear dimensionality reduction}, journal = {Science}, year = {2000}, volume = {290}, pages = {2319-23}, number = {5500}, month = {Dec}, abstract = {Scientists working with large volumes of high-dimensional data, such as global climate patterns, stellar spectra, or human gene distributions, regularly confront the problem of dimensionality reduction: finding meaningful low-dimensional structures hidden in their high-dimensional observations. {T}he human brain confronts the same problem in everyday perception, extracting from its high-dimensional sensory inputs-30,000 auditory nerve fibers or 10(6) optic nerve fibers-a manageably small number of perceptually relevant features. {H}ere we describe an approach to solving dimensionality reduction problems that uses easily measured local metric information to learn the underlying global geometry of a data set. {U}nlike classical techniques such as principal component analysis ({PCA}) and multidimensional scaling ({MDS}), our approach is capable of discovering the nonlinear degrees of freedom that underlie complex natural observations, such as human handwriting or images of a face under different viewing conditions. {I}n contrast to previous algorithms for nonlinear dimensionality reduction, ours efficiently computes a globally optimal solution, and, for an important class of data manifolds, is guaranteed to converge asymptotically to the true structure.}, doi = {10.1126/science.290.5500.2319}, pdf = {../local/Tenenbaum2000global.pdf}, file = {Tenenbaum2000global.pdf:local/Tenenbaum2000global.pdf:PDF}, keywords = {dimred}, pii = {290/5500/2319}, url = {http://dx.doi.org/10.1126/science.290.5500.2319} }
@inproceedings{Weinberger2005Nonlinear, author = {Weinberger, K. and Packer, B. and Saul, L.}, title = {Nonlinear {D}imensionality {R}eduction by {S}emidefinite {P}rogramming and {K}ernel {M}atrix {F}actorization}, booktitle = {Proceedings of the {T}enth {I}nternational {W}orkshop on {A}rtificial {I}ntelligence and {S}tatistics, {J}an 6-8, 2005, {S}avannah {H}otel, {B}arbados}, year = {2005}, editor = {Cowell, R. G. and Ghahramani, Z.}, pages = {381-388}, publisher = {Society for Artificial Intelligence and Statistics}, abstract = {We describe an algorithm for nonlinear dimensionality reduction based on semidefinite programming and kernel matrix factorization. {T}he algorithm learns a kernel matrix for high dimensional data that lies on or near a low dimensional manifold. {I}n earlier work, the kernel matrix was learned by maximizing the variance in feature space while preserving the distances and angles between nearest neighbors. {I}n this paper, adapting recent ideas from semi-supervised learning on graphs, we show that the full kernel matrix can be very well approximated by a product of smaller matrices. {R}epresenting the kernel matrix in this way, we can reformulate the semidefinite program in terms of a much smaller submatrix of inner products between randomly chosen landmarks. {T}he new framework leads to order-of-magnitude reductions in computation time and makes it possible to study much larger problems in manifold learning.}, pdf = {../local/We describe an algorithm for nonlinear dimensionality reduction based on semidefinite programming and kernel matrix factorization. The algorithm learns a kernel matrix for high dimensional data that lies on or near a low dimensional manifold. In earlier work, the kernel matrix was learned by maximizing the variance in feature space while preserving the distances and angles between nearest neighbors. In this paper, adapting recent ideas from semi-supervised learning on graphs, we show that the full kernel matrix can be very well approximated by a product of smaller matrices. Representing the kernel matrix in this way, we can reformulate the semidefinite program in terms of a much smaller submatrix of inner products between randomly chosen landmarks. The new framework leads to order-of-magnitude reductions in computation time and makes it possible to study much larger problems in manifold learning.}, file = {We describe an algorithm for nonlinear dimensionality reduction based on semidefinite programming and kernel matrix factorization. The algorithm learns a kernel matrix for high dimensional data that lies on or near a low dimensional manifold. In earlier work, the kernel matrix was learned by maximizing the variance in feature space while preserving the distances and angles between nearest neighbors. In this paper, adapting recent ideas from semi-supervised learning on graphs, we show that the full kernel matrix can be very well approximated by a product of smaller matrices. Representing the kernel matrix in this way, we can reformulate the semidefinite program in terms of a much smaller submatrix of inner products between randomly chosen landmarks. The new framework leads to order-of-magnitude reductions in computation time and makes it possible to study much larger problems in manifold learning.:We describe an algorithm for nonlinear dimensionality reduction based on semidefinite programming and kernel matrix factorization. The algorithm learns a kernel matrix for high dimensional data that lies on or near a low dimensional manifold. In earlier work, the kernel matrix was learned by maximizing the variance in feature space while preserving the distances and angles between nearest neighbors. In this paper, adapting recent ideas from semi-supervised learning on graphs, we show that the full kernel matrix can be very well approximated by a product of smaller matrices. Representing the kernel matrix in this way, we can reformulate the semidefinite program in terms of a much smaller submatrix of inner products between randomly chosen landmarks. The new framework leads to order-of-magnitude reductions in computation time and makes it possible to study much larger problems in manifold learning.:PDF}, keywords = {dimred} }
@inproceedings{Weinberger2004Unsupervised, author = {Weinberger, K. Q. and Saul, L. K.}, title = {Unsupervised {L}earning of {I}mage {M}anifolds by {S}emidefinite {P}rogramming}, booktitle = {2004 {IEEE} {C}omputer {S}ociety {C}onference on {C}omputer {V}ision and {P}attern {R}ecognition ({CVPR}'04)}, year = {2004}, volume = {2}, number = {2}, pages = {988-995}, abstract = {Can we detect low dimensional structure in high dimensional data sets of images and video? {T}he problem of dimensionality reduction arises often in computer vision and pattern recognition. {I}n this paper, we propose a new solution to this problem based on semidefinite programming. {O}ur algorithm can be used to analyze high dimensional data that lies on or near a low dimensional manifold. {I}t overcomes certain limitations of previous work in manifold learning, such as {I}somap and locally linear embedding. {W}e illustrate the algorithm on easily visualized examples of curves and surfaces, as well as on actual images of faces, handwritten digits, and solid objects.}, doi = {doi.ieeecomputersociety.org/10.1109/CVPR.2004.256}, pdf = {../local/sdeFinal_cvpr04.pdf:http\://www.seas.upenn.edu/~kilianw/publications/PDFs/sdeFinal_cvpr04.pdf:PDF;sdeFinal_cvpr04.pdf:http\}, file = {sdeFinal_cvpr04.pdf:http\://www.seas.upenn.edu/~kilianw/publications/PDFs/sdeFinal_cvpr04.pdf:PDF;sdeFinal_cvpr04.pdf:http\://www.seas.upenn.edu/~kilianw/publications/PDFs/sdeFinal_cvpr04.pdf:PDF}, keywords = {dimred} }
@inproceedings{Weinberger2004Learning, author = {Weinberger, K. Q. and Sha, F. and Saul, L. K.}, title = {Learning a kernel matrix for nonlinear dimensionality reduction}, booktitle = {I{CML} '04: {T}wenty-first international conference on {M}achine learning}, year = {2004}, address = {New York, NY, USA}, publisher = {ACM Press}, abstract = {We investigate how to learn a kernel matrix for high dimensional data that lies on or near a low dimensional manifold. {N}oting that the kernel matrix implicitly maps the data into a nonlinear feature space, we show how to discover a mapping that "unfolds" the underlying manifold from which the data was sampled. {T}he kernel matrix is constructed by maximizing the variance in feature space subject to local constraints that preserve the angles and distances between nearest neighbors. {T}he main optimization involves an instance of semidefinite programming---a fundamentally different computation than previous algorithms for manifold learning, such as {I}somap and locally linear embedding. {T}he optimized kernels perform better than polynomial and {G}aussian kernels for problems in manifold learning, but worse for problems in large margin classification. {W}e explain these results in terms of the geometric properties of different kernels and comment on various interpretations of other manifold learning algorithms as kernel methods.}, doi = {http://doi.acm.org/10.1145/1015330.1015345}, pdf = {../local/kernel_icml04.pdf:http\://www.seas.upenn.edu/~kilianw/publications/PDFs/kernel_icml04.pdf:PDF;kernel_icml04.pdf:http\}, file = {kernel_icml04.pdf:http\://www.seas.upenn.edu/~kilianw/publications/PDFs/kernel_icml04.pdf:PDF;kernel_icml04.pdf:http\://www.seas.upenn.edu/~kilianw/publications/PDFs/kernel_icml04.pdf:PDF}, keywords = {dimred} }
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