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2004


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Maximal Margin Classification for Metric Spaces

Hein, M., Bousquet, O.

In Learning Theory and Kernel Machines, pages: 72-86, (Editors: Schölkopf, B. and Warmuth, M. K.), Springer, Heidelberg, Germany, 16. Annual Conference on Computational Learning Theory / COLT Kernel, 2004 (inproceedings)

Abstract
In this article we construct a maximal margin classification algorithm for arbitrary metric spaces. At first we show that the Support Vector Machine (SVM) is a maximal margin algorithm for the class of metric spaces where the negative squared distance is conditionally positive definite (CPD). This means that the metric space can be isometrically embedded into a Hilbert space, where one performs linear maximal margin separation. We will show that the solution only depends on the metric, but not on the kernel. Following the framework we develop for the SVM, we construct an algorithm for maximal margin classification in arbitrary metric spaces. The main difference compared with SVM is that we no longer embed isometrically into a Hilbert space, but a Banach space. We further give an estimate of the capacity of the function class involved in this algorithm via Rademacher averages. We recover an algorithm of Graepel et al. [6].

ei

PDF PostScript PDF DOI [BibTex]

2004


PDF PostScript PDF DOI [BibTex]


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On the Convergence of Spectral Clustering on Random Samples: The Normalized Case

von Luxburg, U., Bousquet, O., Belkin, M.

In Proceedings of the 17th Annual Conference on Learning Theory, pages: 457-471, Proceedings of the 17th Annual Conference on Learning Theory, 2004 (inproceedings)

ei

PDF PostScript [BibTex]

PDF PostScript [BibTex]


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Introduction to Statistical Learning Theory

Bousquet, O., Boucheron, S., Lugosi, G.

In Lecture Notes in Artificial Intelligence 3176, pages: 169-207, (Editors: Bousquet, O., U. von Luxburg and G. Rätsch), Springer, Heidelberg, Germany, 2004 (inbook)

ei

PDF [BibTex]

PDF [BibTex]


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A Primer on Kernel Methods

Vert, J., Tsuda, K., Schölkopf, B.

In Kernel Methods in Computational Biology, pages: 35-70, (Editors: B Schölkopf and K Tsuda and JP Vert), MIT Press, Cambridge, MA, USA, 2004 (inbook)

ei

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.

ei

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.

ei

[BibTex]

[BibTex]


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Classification and Feature Extraction in Man and Machine

Graf, AAB.

Biologische Kybernetik, University of Tübingen, Germany, 2004, online publication (phdthesis)

ei

[BibTex]

[BibTex]


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Phenotypic Characterization of Human Chondrocyte Cell Line C-20/A4: A Comparison between Monolayer and Alginate Suspension Culture

Finger, F., Schorle, C., Söder, S., Zien, A., Goldring, M., Aigner, T.

Cells Tissues Organs, 178(2):65-77, 2004 (article)

Abstract
DNA microarray analysis was used to investigate the molecular phenotype of one of the first human chondrocyte cell lines, C-20/A4, derived from juvenile costal chondrocytes by immortalization with origin-defective simian virus 40 large T antigen. Clontech Human Cancer Arrays 1.2 and quantitative PCR were used to examine gene expression profiles of C-20/A4 cells cultured in the presence of serum in monolayer and alginate beads. In monolayer cultures, genes involved in cell proliferation were strongly upregulated compared to those expressed by human adult articular chondrocytes in primary culture. Of the cell cycle-regulated genes, only two, the CDK regulatory subunit and histone H4, were downregulated after culture in alginate beads, consistent with the ability of these cells to proliferate in suspension culture. In contrast, the expression of several genes that are involved in pericellular matrix formation, including MMP-14, COL6A1, fibronectin, biglycan and decorin, was upregulated when the C-20/A4 cells were transferred to suspension culture in alginate. Also, nexin-1, vimentin, and IGFBP-3, which are known to be expressed by primary chondrocytes, were differentially expressed in our study. Consistent with the proliferative phenotype of this cell line, few genes involved in matrix synthesis and turnover were highly expressed in the presence of serum. These results indicate that immortalized chondrocyte cell lines, rather than substituting for primary chondrocytes, may serve as models for extending findings on chondrocyte function not achievable by the use of primary chondrocytes.

ei

[BibTex]

[BibTex]


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Kernel Methods and their Potential Use in Signal Processing

Perez-Cruz, F., Bousquet, O.

IEEE Signal Processing Magazine, (Special issue on Signal Processing for Mining), 2004 (article) Accepted

ei

PostScript [BibTex]

PostScript [BibTex]


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Concentration Inequalities

Boucheron, S., Lugosi, G., Bousquet, O.

In Lecture Notes in Artificial Intelligence 3176, pages: 208-240, (Editors: Bousquet, O., U. von Luxburg and G. Rätsch), Springer, Heidelberg, Germany, 2004 (inbook)

ei

PDF [BibTex]

PDF [BibTex]


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Kernels for graphs

Kashima, H., Tsuda, K., Inokuchi, A.

In pages: 155-170, (Editors: Schoelkopf, B., K. Tsuda and J.P. Vert), MIT Press, Cambridge, MA; USA, 2004 (inbook)

ei

PDF [BibTex]

PDF [BibTex]


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A primer on molecular biology

Zien, A.

In pages: 3-34, (Editors: Schoelkopf, B., K. Tsuda and J. P. Vert), MIT Press, Cambridge, MA, USA, 2004 (inbook)

Abstract
Modern molecular biology provides a rich source of challenging machine learning problems. This tutorial chapter aims to provide the necessary biological background knowledge required to communicate with biologists and to understand and properly formalize a number of most interesting problems in this application domain. The largest part of the chapter (its first section) is devoted to the cell as the basic unit of life. Four aspects of cells are reviewed in sequence: (1) the molecules that cells make use of (above all, proteins, RNA, and DNA); (2) the spatial organization of cells (``compartmentalization''); (3) the way cells produce proteins (``protein expression''); and (4) cellular communication and evolution (of cells and organisms). In the second section, an overview is provided of the most frequent measurement technologies, data types, and data sources. Finally, important open problems in the analysis of these data (bioinformatics challenges) are briefly outlined.

ei

PDF PostScript Web [BibTex]

PDF PostScript Web [BibTex]


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Implicit Wiener series for capturing higher-order interactions in images

Franz, M., Schölkopf, B.

Sensory coding and the natural environment, (Editors: Olshausen, B.A. and M. Lewicki), 2004 (poster)

Abstract
The information about the objects in an image is almost exclusively described by the higher-order interactions of its pixels. The Wiener series is one of the standard methods to systematically characterize these interactions. However, the classical estimation method of the Wiener expansion coefficients via cross-correlation suffers from severe problems that prevent its application to high-dimensional and strongly nonlinear signals such as images. We propose an estimation method based on regression in a reproducing kernel Hilbert space that overcomes these problems using polynomial kernels as known from Support Vector Machines and other kernel-based methods. Numerical experiments show performance advantages in terms of convergence, interpretability and system sizes that can be handled. By the time of the conference, we will be able to present first results on the higher-order structure of natural images.

ei

[BibTex]

[BibTex]


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Classification and Memory Behaviour of Man Revisited by Machine

Graf, A., Wichmann, F., Bülthoff, H., Schölkopf, B.

CSHL Meeting on Computational & Systems Neuroscience (COSYNE), 2004 (poster)

ei

[BibTex]

[BibTex]


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Advanced Statistical Learning Theory

Bousquet, O.

Machine Learning Summer School, 2004 (talk)

ei

PDF [BibTex]

PDF [BibTex]

2003


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Support Vector Channel Selection in BCI

Lal, T., Schröder, M., Hinterberger, T., Weston, J., Bogdan, M., Birbaumer, N., Schölkopf, B.

(120), Max Planck Institute for Biological Cybernetics, Tuebingen, Germany, December 2003 (techreport)

Abstract
Designing a Brain Computer Interface (BCI) system one can choose from a variety of features that may be useful for classifying brain activity during a mental task. For the special case of classifying EEG signals we propose the usage of the state of the art feature selection algorithms Recursive Feature Elimination [3] and Zero-Norm Optimization [13] which are based on the training of Support Vector Machines (SVM) [11]. These algorithms can provide more accurate solutions than standard filter methods for feature selection [14]. We adapt the methods for the purpose of selecting EEG channels. For a motor imagery paradigm we show that the number of used channels can be reduced significantly without increasing the classification error. The resulting best channels agree well with the expected underlying cortical activity patterns during the mental tasks. Furthermore we show how time dependent task specific information can be visualized.

ei

PDF Web [BibTex]

2003


PDF Web [BibTex]


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Texture and haptic cues in slant discrimination: Measuring the effect of texture type on cue combination

Rosas, P., Wichmann, F., Ernst, M., Wagemans, J.

Journal of Vision, 3(12):26, 2003 Fall Vision Meeting of the Optical Society of America, December 2003 (poster)

Abstract
In a number of models of depth cue combination the depth percept is constructed via a weighted average combination of independent depth estimations. The influence of each cue in such average depends on the reliability of the source of information. (Young, Landy, & Maloney, 1993; Ernst & Banks, 2002.) In particular, Ernst & Banks (2002) formulate the combination performed by the human brain as that of the minimum variance unbiased estimator that can be constructed from the available cues. Using slant discrimination and slant judgment via probe adjustment as tasks, we have observed systematic differences in performance of human observers when a number of different types of textures were used as cue to slant (Rosas, Wichmann & Wagemans, 2003). If the depth percept behaves as described above, our measurements of the slopes of the psychometric functions provide the predicted weights for the texture cue for the ranked texture types. We have combined these texture types with object motion but the obtained results are difficult to reconcile with the unbiased minimum variance estimator model (Rosas & Wagemans, 2003). This apparent failure of such model might be explained by the existence of a coupling of texture and motion, violating the assumption of independence of cues. Hillis, Ernst, Banks, & Landy (2002) have shown that while for between-modality combination the human visual system has access to the single-cue information, for within-modality combination (visual cues: disparity and texture) the single-cue information is lost, suggesting a coupling between these cues. Then, in the present study we combine the different texture types with haptic information in a slant discrimination task, to test whether in the between-modality condition the texture cue and the haptic cue to slant are combined as predicted by an unbiased, minimum variance estimator model.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Concentration Inequalities for Sub-Additive Functions Using the Entropy Method

Bousquet, O.

Stochastic Inequalities and Applications, 56, pages: 213-247, Progress in Probability, (Editors: Giné, E., C. Houdré and D. Nualart), November 2003 (article)

Abstract
We obtain exponential concentration inequalities for sub-additive functions of independent random variables under weak conditions on the increments of those functions, like the existence of exponential moments for these increments. As a consequence of these general inequalities, we obtain refinements of Talagrand's inequality for empirical processes and new bounds for randomized empirical processes. These results are obtained by further developing the entropy method introduced by Ledoux.

ei

PostScript [BibTex]

PostScript [BibTex]


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Learning Theory and Kernel Machines: 16th Annual Conference on Learning Theory and 7th Kernel Workshop (COLT/Kernel 2003), LNCS Vol. 2777

Schölkopf, B., Warmuth, M.

Proceedings of the 16th Annual Conference on Learning Theory and 7th Kernel Workshop (COLT/Kernel 2003), COLT/Kernel 2003, pages: 746, Springer, Berlin, Germany, 16th Annual Conference on Learning Theory and 7th Kernel Workshop, November 2003, Lecture Notes in Computer Science ; 2777 (proceedings)

ei

DOI [BibTex]

DOI [BibTex]


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On the Complexity of Learning the Kernel Matrix

Bousquet, O., Herrmann, D.

In Advances in Neural Information Processing Systems 15, pages: 399-406, (Editors: Becker, S. , S. Thrun, K. Obermayer), The MIT Press, Cambridge, MA, USA, Sixteenth Annual Conference on Neural Information Processing Systems (NIPS), October 2003 (inproceedings)

Abstract
We investigate data based procedures for selecting the kernel when learning with Support Vector Machines. We provide generalization error bounds by estimating the Rademacher complexities of the corresponding function classes. In particular we obtain a complexity bound for function classes induced by kernels with given eigenvectors, i.e., we allow to vary the spectrum and keep the eigenvectors fix. This bound is only a logarithmic factor bigger than the complexity of the function class induced by a single kernel. However, optimizing the margin over such classes leads to overfitting. We thus propose a suitable way of constraining the class. We use an efficient algorithm to solve the resulting optimization problem, present preliminary experimental results, and compare them to an alignment-based approach.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Image Reconstruction by Linear Programming

Tsuda, K., Rätsch, G.

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

ei

PDF [BibTex]

PDF [BibTex]


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Cluster Kernels for Semi-Supervised Learning

Chapelle, O., Weston, J., Schölkopf, B.

In Advances in Neural Information Processing Systems 15, pages: 585-592, (Editors: S Becker and S Thrun and K Obermayer), MIT Press, Cambridge, MA, USA, 16th Annual Conference on Neural Information Processing Systems (NIPS), October 2003 (inproceedings)

Abstract
We propose a framework to incorporate unlabeled data in kernel classifier, based on the idea that two points in the same cluster are more likely to have the same label. This is achieved by modifying the eigenspectrum of the kernel matrix. Experimental results assess the validity of this approach.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Mismatch String Kernels for SVM Protein Classification

Leslie, C., Eskin, E., Weston, J., Noble, W.

In Advances in Neural Information Processing Systems 15, pages: 1417-1424, (Editors: Becker, S. , S. Thrun, K. Obermayer), MIT Press, Cambridge, MA, USA, Sixteenth Annual Conference on Neural Information Processing Systems (NIPS), October 2003 (inproceedings)

Abstract
We introduce a class of string kernels, called mismatch kernels, for use with support vector machines (SVMs) in a discriminative approach to the protein classification problem. These kernels measure sequence similarity based on shared occurrences of k-length subsequences, counted with up to m mismatches, and do not rely on any generative model for the positive training sequences. We compute the kernels efficiently using a mismatch tree data structure and report experiments on a benchmark SCOP dataset, where we show that the mismatch kernel used with an SVM classifier performs as well as the Fisher kernel, the most successful method for remote homology detection, while achieving considerable computational savings.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Real-Time Face Detection

Kienzle, W.

Biologische Kybernetik, Eberhard-Karls-Universitaet Tuebingen, Tuebingen, Germany, October 2003 (diplomathesis)

ei

[BibTex]

[BibTex]


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Kernel Dependency Estimation

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

In Advances in Neural Information Processing Systems 15, pages: 873-880, (Editors: S Becker and S Thrun and K Obermayer), MIT Press, Cambridge, MA, USA, 16th Annual Conference on Neural Information Processing Systems (NIPS), October 2003 (inproceedings)

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Linear Combinations of Optic Flow Vectors for Estimating Self-Motion: a Real-World Test of a Neural Model

Franz, MO., Chahl, JS.

In Advances in Neural Information Processing Systems 15, pages: 1319-1326, (Editors: Becker, S., S. Thrun and K. Obermayer), MIT Press, Cambridge, MA, USA, Sixteenth Annual Conference on Neural Information Processing Systems (NIPS), October 2003 (inproceedings)

Abstract
The tangential neurons in the fly brain are sensitive to the typical optic flow patterns generated during self-motion. In this study, we examine whether a simplified linear model of these neurons can be used to estimate self-motion from the optic flow. We present a theory for the construction of an estimator consisting of a linear combination of optic flow vectors that incorporates prior knowledge both about the distance distribution of the environment, and about the noise and self-motion statistics of the sensor. The estimator is tested on a gantry carrying an omnidirectional vision sensor. The experiments show that the proposed approach leads to accurate and robust estimates of rotation rates, whereas translation estimates turn out to be less reliable.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Clustering with the Fisher score

Tsuda, K., Kawanabe, M., Müller, K.

In Advances in Neural Information Processing Systems 15, pages: 729-736, (Editors: Becker, S. , S. Thrun, K. Obermayer), MIT Press, Cambridge, MA, USA, Sixteenth Annual Conference on Neural Information Processing Systems (NIPS), October 2003 (inproceedings)

Abstract
Recently the Fisher score (or the Fisher kernel) is increasingly used as a feature extractor for classification problems. The Fisher score is a vector of parameter derivatives of loglikelihood of a probabilistic model. This paper gives a theoretical analysis about how class information is preserved in the space of the Fisher score, which turns out that the Fisher score consists of a few important dimensions with class information and many nuisance dimensions. When we perform clustering with the Fisher score, K-Means type methods are obviously inappropriate because they make use of all dimensions. So we will develop a novel but simple clustering algorithm specialized for the Fisher score, which can exploit important dimensions. This algorithm is successfully tested in experiments with artificial data and real data (amino acid sequences).

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Marginalized Kernels between Labeled Graphs

Kashima, H., Tsuda, K., Inokuchi, A.

In 20th International Conference on Machine Learning, pages: 321-328, (Editors: Faucett, T. and N. Mishra), 20th International Conference on Machine Learning, August 2003 (inproceedings)

ei

PDF [BibTex]

PDF [BibTex]


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Sparse Gaussian Processes: inference, subspace identification and model selection

Csato, L., Opper, M.

In Proceedings, pages: 1-6, (Editors: Van der Hof, , Wahlberg), The Netherlands, 13th IFAC Symposium on System Identifiaction, August 2003, electronical version; Index ThA02-2 (inproceedings)

Abstract
Gaussian Process (GP) inference is a probabilistic kernel method where the GP is treated as a latent function. The inference is carried out using the Bayesian online learning and its extension to the more general iterative approach which we call TAP/EP learning. Sparsity is introduced in this context to make the TAP/EP method applicable to large datasets. We address the prohibitive scaling of the number of parameters by defining a subset of the training data that is used as the support the GP, thus the number of required parameters is independent of the training set, similar to the case of ``Support--‘‘ or ``Relevance--Vectors‘‘. An advantage of the full probabilistic treatment is that allows the computation of the marginal data likelihood or evidence, leading to hyper-parameter estimation within the GP inference. An EM algorithm to choose the hyper-parameters is proposed. The TAP/EP learning is the E-step and the M-step then updates the hyper-parameters. Due to the sparse E-step the resulting algorithm does not involve manipulation of large matrices. The presented algorithm is applicable to a wide variety of likelihood functions. We present results of applying the algorithm on classification and nonstandard regression problems for artificial and real datasets.

ei

PDF GZIP [BibTex]

PDF GZIP [BibTex]


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Adaptive, Cautious, Predictive control with Gaussian Process Priors

Murray-Smith, R., Sbarbaro, D., Rasmussen, CE., Girard, A.

In Proceedings of the 13th IFAC Symposium on System Identification, pages: 1195-1200, (Editors: Van den Hof, P., B. Wahlberg and S. Weiland), Proceedings of the 13th IFAC Symposium on System Identification, August 2003 (inproceedings)

Abstract
Nonparametric Gaussian Process models, a Bayesian statistics approach, are used to implement a nonlinear adaptive control law. Predictions, including propagation of the state uncertainty are made over a k-step horizon. The expected value of a quadratic cost function is minimised, over this prediction horizon, without ignoring the variance of the model predictions. The general method and its main features are illustrated on a simulation example.

ei

PDF [BibTex]

PDF [BibTex]


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Statistical Learning Theory

Bousquet, O.

Machine Learning Summer School, August 2003 (talk)

ei

PDF [BibTex]

PDF [BibTex]


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Remarks on Statistical Learning Theory

Bousquet, O.

Machine Learning Summer School, August 2003 (talk)

ei

PDF [BibTex]

PDF [BibTex]


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On the Representation, Learning and Transfer of Spatio-Temporal Movement Characteristics

Ilg, W., Bakir, GH., Mezger, J., Giese, MA.

In Humanoids Proceedings, pages: 0-0, Humanoids Proceedings, July 2003, electronical version (inproceedings)

Abstract
In this paper we present a learning-based approach for the modelling of complex movement sequences. Based on the method of Spatio-Temporal Morphable Models (STMMS. We derive a hierarchical algorithm that, in a first step, identifies automatically movement elements in movement sequences based on a coarse spatio-temporal description, and in a second step models these movement primitives by approximation through linear combinations of learned example movement trajectories. We describe the different steps of the algorithm and show how it can be applied for modelling and synthesis of complex sequences of human movements that contain movement elements with variable style. The proposed method is demonstrated on different applications of movement representation relevant for imitation learning of movement styles in humanoid robotics.

ei

PDF [BibTex]

PDF [BibTex]


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Statistical Learning Theory, Capacity and Complexity

Schölkopf, B.

Complexity, 8(4):87-94, July 2003 (article)

Abstract
We give an exposition of the ideas of statistical learning theory, followed by a discussion of how a reinterpretation of the insights of learning theory could potentially also benefit our understanding of a certain notion of complexity.

ei

Web DOI [BibTex]


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Ranking on Data Manifolds

Zhou, D., Weston, J., Gretton, A., Bousquet, O., Schölkopf, B.

(113), Max Planck Institute for Biological Cybernetics, 72076 Tuebingen, Germany, June 2003 (techreport)

Abstract
The Google search engine has had a huge success with its PageRank web page ranking algorithm, which exploits global, rather than local, hyperlink structure of the World Wide Web using random walk. This algorithm can only be used for graph data, however. Here we propose a simple universal ranking algorithm for vectorial data, based on the exploration of the intrinsic global geometric structure revealed by a huge amount of data. Experimental results from image and text to bioinformatics illustrates the validity of our algorithm.

ei

PDF [BibTex]

PDF [BibTex]


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Kernel Hebbian Algorithm for Iterative Kernel Principal Component Analysis

Kim, K., Franz, M., Schölkopf, B.

(109), MPI f. biologische Kybernetik, Tuebingen, June 2003 (techreport)

Abstract
A new method for performing a kernel principal component analysis is proposed. By kernelizing the generalized Hebbian algorithm, one can iteratively estimate the principal components in a reproducing kernel Hilbert space with only linear order memory complexity. The derivation of the method, a convergence proof, and preliminary applications in image hyperresolution are presented. In addition, we discuss the extension of the method to the online learning of kernel principal components.

ei

PDF [BibTex]

PDF [BibTex]


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Learning with Local and Global Consistency

Zhou, D., Bousquet, O., Lal, T., Weston, J., Schölkopf, B.

(112), Max Planck Institute for Biological Cybernetics, Tuebingen, Germany, June 2003 (techreport)

Abstract
We consider the learning problem in the transductive setting. Given a set of points of which only some are labeled, the goal is to predict the label of the unlabeled points. A principled clue to solve such a learning problem is the consistency assumption that a classifying function should be sufficiently smooth with respect to the structure revealed by these known labeled and unlabeled points. We present a simple algorithm to obtain such a smooth solution. Our method yields encouraging experimental results on a number of classification problems and demonstrates effective use of unlabeled data.

ei

[BibTex]

[BibTex]


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Dealing with large Diagonals in Kernel Matrices

Weston, J., Schölkopf, B., Eskin, E., Leslie, C., Noble, W.

Annals of the Institute of Statistical Mathematics, 55(2):391-408, June 2003 (article)

Abstract
In kernel methods, all the information about the training data is contained in the Gram matrix. If this matrix has large diagonal values, which arises for many types of kernels, then kernel methods do not perform well: We propose and test several methods for dealing with this problem by reducing the dynamic range of the matrix while preserving the positive definiteness of the Hessian of the quadratic programming problem that one has to solve when training a Support Vector Machine, which is a common kernel approach for pattern recognition.

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Implicit Wiener Series

Franz, M., Schölkopf, B.

(114), Max Planck Institute for Biological Cybernetics, June 2003 (techreport)

Abstract
The Wiener series is one of the standard methods to systematically characterize the nonlinearity of a neural system. The classical estimation method of the expansion coefficients via cross-correlation suffers from severe problems that prevent its application to high-dimensional and strongly nonlinear systems. We propose a new estimation method based on regression in a reproducing kernel Hilbert space that overcomes these problems. Numerical experiments show performance advantages in terms of convergence, interpretability and system size that can be handled.

ei

PDF [BibTex]

PDF [BibTex]


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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.

ei

PDF [BibTex]

PDF [BibTex]


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The em Algorithm for Kernel Matrix Completion with Auxiliary Data

Tsuda, K., Akaho, S., Asai, K.

Journal of Machine Learning Research, 4, pages: 67-81, May 2003 (article)

ei

PDF [BibTex]

PDF [BibTex]


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Constructing Descriptive and Discriminative Non-linear Features: Rayleigh Coefficients in Kernel Feature Spaces

Mika, S., Rätsch, G., Weston, J., Schölkopf, B., Smola, A., Müller, K.

IEEE Transactions on Pattern Analysis and Machine Intelligence, 25(5):623-628, May 2003 (article)

Abstract
We incorporate prior knowledge to construct nonlinear algorithms for invariant feature extraction and discrimination. Employing a unified framework in terms of a nonlinearized variant of the Rayleigh coefficient, we propose nonlinear generalizations of Fisher‘s discriminant and oriented PCA using support vector kernel functions. Extensive simulations show the utility of our approach.

ei

DOI [BibTex]

DOI [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.

ei

PDF [BibTex]

PDF [BibTex]


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A case based comparison of identification with neural network and Gaussian process models.

Kocijan, J., Banko, B., Likar, B., Girard, A., Murray-Smith, R., Rasmussen, CE.

In Proceedings of the International Conference on Intelligent Control Systems and Signal Processing ICONS 2003, 1, pages: 137-142, (Editors: Ruano, E.A.), Proceedings of the International Conference on Intelligent Control Systems and Signal Processing ICONS, April 2003 (inproceedings)

Abstract
In this paper an alternative approach to black-box identification of non-linear dynamic systems is compared with the more established approach of using artificial neural networks. The Gaussian process prior approach is a representative of non-parametric modelling approaches. It was compared on a pH process modelling case study. The purpose of modelling was to use the model for control design. The comparison revealed that even though Gaussian process models can be effectively used for modelling dynamic systems caution has to be axercised when signals are selected.

ei

PDF [BibTex]

PDF [BibTex]


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On-Line One-Class Support Vector Machines. An Application to Signal Segmentation

Gretton, A., Desobry, ..

In IEEE ICASSP Vol. 2, pages: 709-712, IEEE ICASSP, April 2003 (inproceedings)

Abstract
In this paper, we describe an efficient algorithm to sequentially update a density support estimate obtained using one-class support vector machines. The solution provided is an exact solution, which proves to be far more computationally attractive than a batch approach. This deterministic technique is applied to the problem of audio signal segmentation, with simulations demonstrating the computational performance gain on toy data sets, and the accuracy of the segmentation on audio signals.

ei

PostScript [BibTex]

PostScript [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.

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PostScript [BibTex]


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The Kernel Mutual Information

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

In IEEE ICASSP Vol. 4, pages: 880-883, IEEE ICASSP, April 2003 (inproceedings)

Abstract
We introduce a new contrast function, the kernel mutual information (KMI), to measure the degree of independence of continuous random variables. This contrast function provides an approximate upper bound on the mutual information, as measured near independence, and is based on a kernel density estimate of the mutual information between a discretised approximation of the continuous random variables. 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.

ei

PostScript [BibTex]

PostScript [BibTex]


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Tractable Inference for Probabilistic Data Models

Csato, L., Opper, M., Winther, O.

Complexity, 8(4):64-68, April 2003 (article)

Abstract
We present an approximation technique for probabilistic data models with a large number of hidden variables, based on ideas from statistical physics. We give examples for two nontrivial applications. © 2003 Wiley Periodicals, Inc.

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PDF GZIP Web [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.

Bioinformatics, 19(6):764-771, April 2003 (article)

Abstract
Motivation: In drug discovery a key task is to identify characteristics that separate active (binding) compounds from inactive (non-binding) ones. An automated prediction system can help reduce resources necessary to carry out this task. Results: Two methods for prediction of molecular bioactivity for drug design are introduced and shown to perform well in a data set previously studied as part of the KDD (Knowledge Discovery and Data Mining) Cup 2001. The data is characterized by very few positive examples, a very large number of features (describing three-dimensional properties of the molecules) and rather different distributions between training and test data. Two techniques are introduced specifically to tackle these problems: a feature selection method for unbalanced data and a classifier which adapts to the distribution of the the unlabeled test data (a so-called transductive method). We show both techniques improve identification performance and in conjunction provide an improvement over using only one of the techniques. Our results suggest the importance of taking into account the characteristics in this data which may also be relevant in other problems of a similar type.

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