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2004


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Fast Binary and Multi-Output Reduced Set Selection

Weston, J., Bakir, G.

(132), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2004 (techreport)

Abstract
We propose fast algorithms for reducing the number of kernel evaluations in the testing phase for methods such as Support Vector Machines (SVM) and Ridge Regression (RR). For non-sparse methods such as RR this results in significantly improved prediction time. For binary SVMs, which are already sparse in their expansion, the pay off is mainly in the cases of noisy or large-scale problems. However, we then further develop our method for multi-class problems where, after choosing the expansion to find vectors which describe all the hyperplanes jointly, we again achieve significant gains.

PostScript [BibTex]

2004

PostScript [BibTex]


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Joint Kernel Maps

Weston, J., Schölkopf, B., Bousquet, O., Mann, .., Noble, W.

(131), Max-Planck-Institute for Biological Cybernetics, Tübingen, November 2004 (techreport)

PDF [BibTex]

PDF [BibTex]


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Semi-Supervised Induction

Yu, K., Tresp, V., Zhou, D.

(141), Max Planck Institute for Biological Cybernetics, Tuebingen, Germany, August 2004 (techreport)

Abstract
Considerable progress was recently achieved on semi-supervised learning, which differs from the traditional supervised learning by additionally exploring the information of the unlabelled examples. However, a disadvantage of many existing methods is that it does not generalize to unseen inputs. This paper investigates learning methods that effectively make use of both labelled and unlabelled data to build predictive functions, which are defined on not just the seen inputs but the whole space. As a nice property, the proposed method allows effcient training and can easily handle new test points. We validate the method based on both toy data and real world data sets.

PDF PDF [BibTex]

PDF PDF [BibTex]


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Kernel Methods in Computational Biology

Schölkopf, B., Tsuda, K., Vert, J.

pages: 410, Computational Molecular Biology, MIT Press, Cambridge, MA, USA, August 2004 (book)

Abstract
Modern machine learning techniques are proving to be extremely valuable for the analysis of data in computational biology problems. One branch of machine learning, kernel methods, lends itself particularly well to the difficult aspects of biological data, which include high dimensionality (as in microarray measurements), representation as discrete and structured data (as in DNA or amino acid sequences), and the need to combine heterogeneous sources of information. This book provides a detailed overview of current research in kernel methods and their applications to computational biology. Following three introductory chapters—an introduction to molecular and computational biology, a short review of kernel methods that focuses on intuitive concepts rather than technical details, and a detailed survey of recent applications of kernel methods in computational biology—the book is divided into three sections that reflect three general trends in current research. The first part presents different ideas for the design of kernel functions specifically adapted to various biological data; the second part covers different approaches to learning from heterogeneous data; and the third part offers examples of successful applications of support vector machine methods.

Web [BibTex]

Web [BibTex]


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On Hausdorff Distance Measures

Shapiro, MD., Blaschko, MB.

Department of Computer Science, University of Massachusetts Amherst, August 2004 (techreport)

[BibTex]

[BibTex]


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Object categorization with SVM: kernels for local features

Eichhorn, J., Chapelle, O.

(137), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, July 2004 (techreport)

Abstract
In this paper, we propose to combine an efficient image representation based on local descriptors with a Support Vector Machine classifier in order to perform object categorization. For this purpose, we apply kernels defined on sets of vectors. After testing different combinations of kernel / local descriptors, we have been able to identify a very performant one.

PDF [BibTex]

PDF [BibTex]


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Hilbertian Metrics and Positive Definite Kernels on Probability Measures

Hein, M., Bousquet, O.

(126), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, July 2004 (techreport)

Abstract
We investigate the problem of defining Hilbertian metrics resp. positive definite kernels on probability measures, continuing previous work. This type of kernels has shown very good results in text classification and has a wide range of possible applications. In this paper we extend the two-parameter family of Hilbertian metrics of Topsoe such that it now includes all commonly used Hilbertian metrics on probability measures. This allows us to do model selection among these metrics in an elegant and unified way. Second we investigate further our approach to incorporate similarity information of the probability space into the kernel. The analysis provides a better understanding of these kernels and gives in some cases a more efficient way to compute them. Finally we compare all proposed kernels in two text and one image classification problem.

PDF [BibTex]

PDF [BibTex]


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Kernels, Associated Structures and Generalizations

Hein, M., Bousquet, O.

(127), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, July 2004 (techreport)

Abstract
This paper gives a survey of results in the mathematical literature on positive definite kernels and their associated structures. We concentrate on properties which seem potentially relevant for Machine Learning and try to clarify some results that have been misused in the literature. Moreover we consider different lines of generalizations of positive definite kernels. Namely we deal with operator-valued kernels and present the general framework of Hilbertian subspaces of Schwartz which we use to introduce kernels which are distributions. Finally indefinite kernels and their associated reproducing kernel spaces are considered.

PDF [BibTex]

PDF [BibTex]


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Triangle Fixing Algorithms for the Metric Nearness Problem

Dhillon, I., Sra, S., Tropp, J.

Univ. of Texas at Austin, June 2004 (techreport)

PDF [BibTex]

PDF [BibTex]


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Kamerakalibrierung und Tiefenschätzung: Ein Vergleich von klassischer Bündelblockausgleichung und statistischen Lernalgorithmen

Sinz, FH.

Wilhelm-Schickard-Institut für Informatik, Universität Tübingen, Tübingen, Germany, March 2004 (techreport)

Abstract
Die Arbeit verleicht zwei Herangehensweisen an das Problem der Sch{\"a}tzung der r{\"a}umliche Position eines Punktes aus den Bildkoordinaten in zwei verschiedenen Kameras. Die klassische Methode der B{\"u}ndelblockausgleichung modelliert zwei Einzelkameras und sch{\"a}tzt deren {\"a}ußere und innere Orientierung mit einer iterativen Kalibrationsmethode, deren Konvergenz sehr stark von guten Startwerten abh{\"a}ngt. Die Tiefensch{\"a}tzung eines Punkts geschieht durch die Invertierung von drei der insgesamt vier Projektionsgleichungen der Einzalkameramodelle. Die zweite Methode benutzt Kernel Ridge Regression und Support Vector Regression, um direkt eine Abbildung von den Bild- auf die Raumkoordinaten zu lernen. Die Resultate zeigen, daß der Ansatz mit maschinellem Lernen, neben einer erheblichen Vereinfachung des Kalibrationsprozesses, zu h{\"o}heren Positionsgenaugikeiten f{\"u}hren kann.

PDF [BibTex]

PDF [BibTex]


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Multivariate Regression with Stiefel Constraints

Bakir, G., Gretton, A., Franz, M., Schölkopf, B.

(128), MPI for Biological Cybernetics, Spemannstr 38, 72076, Tuebingen, 2004 (techreport)

Abstract
We introduce a new framework for regression between multi-dimensional spaces. Standard methods for solving this problem typically reduce the problem to one-dimensional regression by choosing features in the input and/or output spaces. These methods, which include PLS (partial least squares), KDE (kernel dependency estimation), and PCR (principal component regression), select features based on different a-priori judgments as to their relevance. Moreover, loss function and constraints are chosen not primarily on statistical grounds, but to simplify the resulting optimisation. By contrast, in our approach the feature construction and the regression estimation are performed jointly, directly minimizing a loss function that we specify, subject to a rank constraint. A major advantage of this approach is that the loss is no longer chosen according to the algorithmic requirements, but can be tailored to the characteristics of the task at hand; the features will then be optimal with respect to this objective. Our approach also allows for the possibility of using a regularizer in the optimization. Finally, by processing the observations sequentially, our algorithm is able to work on large scale problems.

PDF [BibTex]

PDF [BibTex]


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Learning from Labeled and Unlabeled Data Using Random Walks

Zhou, D., Schölkopf, B.

Max Planck Institute for Biological Cybernetics, 2004 (techreport)

Abstract
We consider the general problem of learning from labeled and unlabeled data. Given a set of points, some of them are labeled, and the remaining points are unlabeled. The goal is to predict the labels of the unlabeled points. Any supervised learning algorithm can be applied to this problem, for instance, Support Vector Machines (SVMs). The problem of our interest is if we can implement a classifier which uses the unlabeled data information in some way and has higher accuracy than the classifiers which use the labeled data only. Recently we proposed a simple algorithm, which can substantially benefit from large amounts of unlabeled data and demonstrates clear superiority to supervised learning methods. In this paper we further investigate the algorithm using random walks and spectral graph theory, which shed light on the key steps in this algorithm.

PDF PostScript [BibTex]

PDF PostScript [BibTex]


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Behaviour and Convergence of the Constrained Covariance

Gretton, A., Smola, A., Bousquet, O., Herbrich, R., Schölkopf, B., Logothetis, N.

(130), MPI for Biological Cybernetics, 2004 (techreport)

Abstract
We discuss reproducing kernel Hilbert space (RKHS)-based measures of statistical dependence, with emphasis on constrained covariance (COCO), a novel criterion to test dependence of random variables. We show that COCO is a test for independence if and only if the associated RKHSs are universal. That said, no independence test exists that can distinguish dependent and independent random variables in all circumstances. Dependent random variables can result in a COCO which is arbitrarily close to zero when the source densities are highly non-smooth, which can make dependence hard to detect empirically. All current kernel-based independence tests share this behaviour. Finally, we demonstrate exponential convergence between the population and empirical COCO, which implies that COCO does not suffer from slow learning rates when used as a dependence test.

PDF [BibTex]

PDF [BibTex]


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Confidence Sets for Ratios: A Purely Geometric Approach To Fieller’s Theorem

von Luxburg, U., Franz, V.

(133), Max Planck Institute for Biological Cybernetics, 2004 (techreport)

Abstract
We present a simple, geometric method to construct Fieller's exact confidence sets for ratios of jointly normally distributed random variables. Contrary to previous geometric approaches in the literature, our method is valid in the general case where both sample mean and covariance are unknown. Moreover, not only the construction but also its proof are purely geometric and elementary, thus giving intuition into the nature of the confidence sets.

PDF [BibTex]

PDF [BibTex]


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Transductive Inference with Graphs

Zhou, D., Schölkopf, B.

Max Planck Institute for Biological Cybernetics, 2004, See the improved version Regularization on Discrete Spaces. (techreport)

Abstract
We propose a general regularization framework for transductive inference. The given data are thought of as a graph, where the edges encode the pairwise relationships among data. We develop discrete analysis and geometry on graphs, and then naturally adapt the classical regularization in the continuous case to the graph situation. A new and effective algorithm is derived from this general framework, as well as an approach we developed before.

[BibTex]

[BibTex]


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Kompetenzerwerb für Informationssysteme - Einfluss des Lernprozesses auf die Interaktion mit Fahrerinformationssystemen. Veröffentlichter Abschlussbericht (Förderkennzeichen BaSt FE 82.196/2001).

Totzke, I., Krüger, H., Hofmann, M., Meilinger, T., Rauch, N., Schmidt, G.

Interdisziplinäres Zentrum für Verkehrswissenschaften (IZVW), Würzburg, 2004 (techreport)

[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]

1996


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The DELVE user manual

Rasmussen, CE., Neal, RM., Hinton, GE., van Camp, D., Revow, M., Ghahramani, Z., Kustra, R., Tibshirani, R.

Department of Computer Science, University of Toronto, December 1996 (techreport)

Abstract
This manual describes the preliminary release of the DELVE environment. Some features described here have not yet implemented, as noted. Support for regression tasks is presently somewhat more developed than that for classification tasks. We recommend that you exercise caution when using this version of DELVE for real work, as it is possible that bugs remain in the software. We hope that you will send us reports of any problems you encounter, as well as any other comments you may have on the software or manual, at the e-mail address below. Please mention the version number of the manual and/or the software with any comments you send.

GZIP [BibTex]

1996

GZIP [BibTex]


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Nonlinear Component Analysis as a Kernel Eigenvalue Problem

Schölkopf, B., Smola, A., Müller, K.

(44), Max Planck Institute for Biological Cybernetics Tübingen, December 1996, This technical report has also been published elsewhere (techreport)

Abstract
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 high-dimensional feature spaces, related to input space by some nonlinear map; for instance the space of all possible 5-pixel products in 16 x 16 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.

[BibTex]

[BibTex]


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Learning View Graphs for Robot Navigation

Franz, M., Schölkopf, B., Georg, P., Mallot, H., Bülthoff, H.

(33), Max Planck Institute for Biological Cybernetics, Tübingen,, July 1996 (techreport)

Abstract
We present a purely vision-based scheme for learning a parsimonious representation of an open environment. Using simple exploration behaviours, our system constructs a graph of appropriately chosen views. To navigate between views connected in the graph, we employ a homing strategy inspired by findings of insect ethology. Simulations and robot experiments demonstrate the feasibility of the proposed approach.

[BibTex]

[BibTex]