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2003


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Machine Learning approaches to protein ranking: discriminative, semi-supervised, scalable algorithms

Weston, J., Leslie, C., Elisseeff, A., Noble, W.

(111), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, June 2003 (techreport)

Abstract
A key tool in protein function discovery is the ability to rank databases of proteins given a query amino acid sequence. The most successful method so far is a web-based tool called PSI-BLAST which uses heuristic alignment of a profile built using the large unlabeled database. It has been shown that such use of global information via an unlabeled data improves over a local measure derived from a basic pairwise alignment such as performed by PSI-BLAST's predecessor, BLAST. In this article we look at ways of leveraging techniques from the field of machine learning for the problem of ranking. We show how clustering and semi-supervised learning techniques, which aim to capture global structure in data, can significantly improve over PSI-BLAST.

PDF [BibTex]

2003

PDF [BibTex]


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The Geometry Of Kernel Canonical Correlation Analysis

Kuss, M., Graepel, T.

(108), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, May 2003 (techreport)

Abstract
Canonical correlation analysis (CCA) is a classical multivariate method concerned with describing linear dependencies between sets of variables. After a short exposition of the linear sample CCA problem and its analytical solution, the article proceeds with a detailed characterization of its geometry. Projection operators are used to illustrate the relations between canonical vectors and variates. The article then addresses the problem of CCA between spaces spanned by objects mapped into kernel feature spaces. An exact solution for this kernel canonical correlation (KCCA) problem is derived from a geometric point of view. It shows that the expansion coefficients of the canonical vectors in their respective feature space can be found by linear CCA in the basis induced by kernel principal component analysis. The effect of mappings into higher dimensional feature spaces is considered critically since it simplifies the CCA problem in general. Then two regularized variants of KCCA are discussed. Relations to other methods are illustrated, e.g., multicategory kernel Fisher discriminant analysis, kernel principal component regression and possible applications thereof in blind source separation.

PDF [BibTex]

PDF [BibTex]


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The Kernel Mutual Information

Gretton, A., Herbrich, R., Smola, A.

Max Planck Institute for Biological Cybernetics, April 2003 (techreport)

Abstract
We introduce two new functions, the kernel covariance (KC) and the kernel mutual information (KMI), to measure the degree of independence of several continuous random variables. The former is guaranteed to be zero if and only if the random variables are pairwise independent; the latter shares this property, and is in addition an approximate upper bound on the mutual information, as measured near independence, and is based on a kernel density estimate. We show that Bach and Jordan‘s kernel generalised variance (KGV) is also an upper bound on the same kernel density estimate, but is looser. Finally, we suggest that the addition of a regularising term in the KGV causes it to approach the KMI, which motivates the introduction of this regularisation. The performance of the KC and KMI is verified in the context of instantaneous independent component analysis (ICA), by recovering both artificial and real (musical) signals following linear mixing.

PostScript [BibTex]

PostScript [BibTex]


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Expectation Maximization for Clustering on Hyperspheres

Banerjee, A., Dhillon, I., Ghosh, J., Sra, S.

Univ. of Texas at Austin, February 2003 (techreport)

GZIP [BibTex]

GZIP [BibTex]


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Modeling Data using Directional Distributions

Dhillon, I., Sra, S.

Univ. of Texas at Austin, January 2003 (techreport)

GZIP [BibTex]

GZIP [BibTex]


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A Note on Parameter Tuning for On-Line Shifting Algorithms

Bousquet, O.

Max Planck Institute for Biological Cybernetics, Tübingen, Germany, 2003 (techreport)

Abstract
In this short note, building on ideas of M. Herbster [2] we propose a method for automatically tuning the parameter of the FIXED-SHARE algorithm proposed by Herbster and Warmuth [3] in the context of on-line learning with shifting experts. We show that this can be done with a memory requirement of $O(nT)$ and that the additional loss incurred by the tuning is the same as the loss incurred for estimating the parameter of a Bernoulli random variable.

PDF PostScript [BibTex]

PDF PostScript [BibTex]


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Support Vector Machines

Schölkopf, B., Smola, A.

In Handbook of Brain Theory and Neural Networks (2nd edition), pages: 1119-1125, (Editors: MA Arbib), MIT Press, Cambridge, MA, USA, 2003 (inbook)

[BibTex]

[BibTex]


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Prediction at an Uncertain Input for Gaussian Processes and Relevance Vector Machines - Application to Multiple-Step Ahead Time-Series Forecasting

Quiñonero-Candela, J., Girard, A., Rasmussen, C.

(IMM-2003-18), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, 2003 (techreport)

PDF PostScript [BibTex]

PDF PostScript [BibTex]


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Extension of the nu-SVM range for classification

Perez-Cruz, F., Weston, J., Herrmann, D., Schölkopf, B.

In Advances in Learning Theory: Methods, Models and Applications, NATO Science Series III: Computer and Systems Sciences, Vol. 190, 190, pages: 179-196, NATO Science Series III: Computer and Systems Sciences, (Editors: J Suykens and G Horvath and S Basu and C Micchelli and J Vandewalle), IOS Press, Amsterdam, 2003 (inbook)

[BibTex]

[BibTex]


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An Introduction to Support Vector Machines

Schölkopf, B.

In Recent Advances and Trends in Nonparametric Statistics , pages: 3-17, (Editors: MG Akritas and DN Politis), Elsevier, Amsterdam, The Netherlands, 2003 (inbook)

Web DOI [BibTex]

Web DOI [BibTex]


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Statistical Learning and Kernel Methods in Bioinformatics

Schölkopf, B., Guyon, I., Weston, J.

In Artificial Intelligence and Heuristic Methods in Bioinformatics, 183, pages: 1-21, 3, (Editors: P Frasconi und R Shamir), IOS Press, Amsterdam, The Netherlands, 2003 (inbook)

[BibTex]

[BibTex]


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Interactive Images

Toyama, K., Schölkopf, B.

(MSR-TR-2003-64), Microsoft Research, Cambridge, UK, 2003 (techreport)

Abstract
Interactive Images are a natural extension of three recent developments: digital photography, interactive web pages, and browsable video. An interactive image is a multi-dimensional image, displayed two dimensions at a time (like a standard digital image), but with which a user can interact to browse through the other dimensions. One might consider a standard video sequence viewed with a video player as a simple interactive image with time as the third dimension. Interactive images are a generalization of this idea, in which the third (and greater) dimensions may be focus, exposure, white balance, saturation, and other parameters. Interaction is handled via a variety of modes including those we call ordinal, pixel-indexed, cumulative, and comprehensive. Through exploration of three novel forms of interactive images based on color, exposure, and focus, we will demonstrate the compelling nature of interactive images.

Web [BibTex]

Web [BibTex]


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Statistical Learning and Kernel Methods

Navia-Vázquez, A., Schölkopf, B.

In Adaptivity and Learning—An Interdisciplinary Debate, pages: 161-186, (Editors: R.Kühn and R Menzel and W Menzel and U Ratsch and MM Richter and I-O Stamatescu), Springer, Berlin, Heidelberg, Germany, 2003 (inbook)

[BibTex]

[BibTex]


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A Short Introduction to Learning with Kernels

Schölkopf, B., Smola, A.

In Proceedings of the Machine Learning Summer School, Lecture Notes in Artificial Intelligence, Vol. 2600, pages: 41-64, LNAI 2600, (Editors: S Mendelson and AJ Smola), Springer, Berlin, Heidelberg, Germany, 2003 (inbook)

[BibTex]

[BibTex]


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Bayesian Kernel Methods

Smola, A., Schölkopf, B.

In Advanced Lectures on Machine Learning, Machine Learning Summer School 2002, Lecture Notes in Computer Science, Vol. 2600, LNAI 2600, pages: 65-117, 0, (Editors: S Mendelson and AJ Smola), Springer, Berlin, Germany, 2003 (inbook)

DOI [BibTex]

DOI [BibTex]


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Stability of ensembles of kernel machines

Elisseeff, A., Pontil, M.

In 190, pages: 111-124, NATO Science Series III: Computer and Systems Science, (Editors: Suykens, J., G. Horvath, S. Basu, C. Micchelli and J. Vandewalle), IOS press, Netherlands, 2003 (inbook)

[BibTex]

[BibTex]

2002


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Learning with Kernels: Support Vector Machines, Regularization, Optimization, and Beyond

Schölkopf, B., Smola, A.

pages: 644, Adaptive Computation and Machine Learning, MIT Press, Cambridge, MA, USA, December 2002, Parts of this book, including an introduction to kernel methods, can be downloaded here. (book)

Abstract
In the 1990s, a new type of learning algorithm was developed, based on results from statistical learning theory: the Support Vector Machine (SVM). This gave rise to a new class of theoretically elegant learning machines that use a central concept of SVMs-kernels—for a number of learning tasks. Kernel machines provide a modular framework that can be adapted to different tasks and domains by the choice of the kernel function and the base algorithm. They are replacing neural networks in a variety of fields, including engineering, information retrieval, and bioinformatics. Learning with Kernels provides an introduction to SVMs and related kernel methods. Although the book begins with the basics, it also includes the latest research. It provides all of the concepts necessary to enable a reader equipped with some basic mathematical knowledge to enter the world of machine learning using theoretically well-founded yet easy-to-use kernel algorithms and to understand and apply the powerful algorithms that have been developed over the last few years.

Web [BibTex]

2002

Web [BibTex]


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Kernel Dependency Estimation

Weston, J., Chapelle, O., Elisseeff, A., Schölkopf, B., Vapnik, V.

(98), Max Planck Institute for Biological Cybernetics, August 2002 (techreport)

Abstract
We consider the learning problem of finding a dependency between a general class of objects and another, possibly different, general class of objects. The objects can be for example: vectors, images, strings, trees or graphs. Such a task is made possible by employing similarity measures in both input and output spaces using kernel functions, thus embedding the objects into vector spaces. Output kernels also make it possible to encode prior information and/or invariances in the loss function in an elegant way. We experimentally validate our approach on several tasks: mapping strings to strings, pattern recognition, and reconstruction from partial images.

PDF [BibTex]

PDF [BibTex]


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Global Geometry of SVM Classifiers

Zhou, D., Xiao, B., Zhou, H., Dai, R.

Max Planck Institute for Biological Cybernetics, Tübingen, Germany, June 2002 (techreport)

Abstract
We construct an geometry framework for any norm Support Vector Machine (SVM) classifiers. Within this framework, separating hyperplanes, dual descriptions and solutions of SVM classifiers are constructed by a purely geometric fashion. In contrast with the optimization theory used in SVM classifiers, we have no complicated computations any more. Each step in our theory is guided by elegant geometric intuitions.

PDF PostScript [BibTex]

PDF PostScript [BibTex]


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Computationally Efficient Face Detection

Romdhani, S., Torr, P., Schölkopf, B., Blake, A.

(MSR-TR-2002-69), Microsoft Research, June 2002 (techreport)

Web [BibTex]

Web [BibTex]


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Kernel-based nonlinear blind source separation

Harmeling, S., Ziehe, A., Kawanabe, M., Müller, K.

EU-Project BLISS, January 2002 (techreport)

GZIP [BibTex]

GZIP [BibTex]


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A compression approach to support vector model selection

von Luxburg, U., Bousquet, O., Schölkopf, B.

(101), Max Planck Institute for Biological Cybernetics, 2002, see more detailed JMLR version (techreport)

Abstract
In this paper we investigate connections between statistical learning theory and data compression on the basis of support vector machine (SVM) model selection. Inspired by several generalization bounds we construct ``compression coefficients'' for SVMs, which measure the amount by which the training labels can be compressed by some classification hypothesis. The main idea is to relate the coding precision of this hypothesis to the width of the margin of the SVM. The compression coefficients connect well known quantities such as the radius-margin ratio R^2/rho^2, the eigenvalues of the kernel matrix and the number of support vectors. To test whether they are useful in practice we ran model selection experiments on several real world datasets. As a result we found that compression coefficients can fairly accurately predict the parameters for which the test error is minimized.

[BibTex]

[BibTex]


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Feature Selection and Transduction for Prediction of Molecular Bioactivity for Drug Design

Weston, J., Perez-Cruz, F., Bousquet, O., Chapelle, O., Elisseeff, A., Schölkopf, B.

Max Planck Institute for Biological Cybernetics / Biowulf Technologies, 2002 (techreport)

Web [BibTex]

Web [BibTex]


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Observations on the Nyström Method for Gaussian Process Prediction

Williams, C., Rasmussen, C., Schwaighofer, A., Tresp, V.

Max Planck Institute for Biological Cybernetics, Tübingen, Germany, 2002 (techreport)

Abstract
A number of methods for speeding up Gaussian Process (GP) prediction have been proposed, including the Nystr{\"o}m method of Williams and Seeger (2001). In this paper we focus on two issues (1) the relationship of the Nystr{\"o}m method to the Subset of Regressors method (Poggio and Girosi 1990; Luo and Wahba, 1997) and (2) understanding in what circumstances the Nystr{\"o}m approximation would be expected to provide a good approximation to exact GP regression.

PostScript [BibTex]

PostScript [BibTex]