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2017


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Elements of Causal Inference - Foundations and Learning Algorithms

Peters, J., Janzing, D., Schölkopf, B.

Adaptive Computation and Machine Learning Series, The MIT Press, Cambridge, MA, USA, 2017 (book)

PDF [BibTex]

2017

PDF [BibTex]


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New Directions for Learning with Kernels and Gaussian Processes (Dagstuhl Seminar 16481)

Gretton, A., Hennig, P., Rasmussen, C., Schölkopf, B.

Dagstuhl Reports, 6(11):142-167, 2017 (book)

DOI [BibTex]

2015


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Cosmology from Cosmic Shear with DES Science Verification Data

Abbott, T., Abdalla, F. B., Allam, S., Amara, A., Annis, J., Armstrong, R., Bacon, D., Banerji, M., Bauer, A. H., Baxter, E., others,

arXiv preprint arXiv:1507.05552, 2015 (techreport)

link (url) [BibTex]

2015

link (url) [BibTex]


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The DES Science Verification Weak Lensing Shear Catalogs

Jarvis, M., Sheldon, E., Zuntz, J., Kacprzak, T., Bridle, S. L., Amara, A., Armstrong, R., Becker, M. R., Bernstein, G. M., Bonnett, C., others,

arXiv preprint arXiv:1507.05603, 2015 (techreport)

link (url) [BibTex]

link (url) [BibTex]

2013


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Animating Samples from Gaussian Distributions

Hennig, P.

(8), Max Planck Institute for Intelligent Systems, Tübingen, Germany, 2013 (techreport)

PDF [BibTex]

2013

PDF [BibTex]


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Proceedings of the 10th European Workshop on Reinforcement Learning, Volume 24

Deisenroth, M., Szepesvári, C., Peters, J.

pages: 173, JMLR, European Workshop On Reinforcement Learning, EWRL, 2013 (proceedings)

Web [BibTex]

Web [BibTex]


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Maximizing Kepler science return per telemetered pixel: Detailed models of the focal plane in the two-wheel era

Hogg, D. W., Angus, R., Barclay, T., Dawson, R., Fergus, R., Foreman-Mackey, D., Harmeling, S., Hirsch, M., Lang, D., Montet, B. T., Schiminovich, D., Schölkopf, B.

arXiv:1309.0653, 2013 (techreport)

link (url) [BibTex]

link (url) [BibTex]


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Maximizing Kepler science return per telemetered pixel: Searching the habitable zones of the brightest stars

Montet, B. T., Angus, R., Barclay, T., Dawson, R., Fergus, R., Foreman-Mackey, D., Harmeling, S., Hirsch, M., Hogg, D. W., Lang, D., Schiminovich, D., Schölkopf, B.

arXiv:1309.0654, 2013 (techreport)

link (url) [BibTex]

link (url) [BibTex]

2009


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Learning an Interactive Segmentation System

Nickisch, H., Kohli, P., Rother, C.

Max Planck Institute for Biological Cybernetics, December 2009 (techreport)

Abstract
Many successful applications of computer vision to image or video manipulation are interactive by nature. However, parameters of such systems are often trained neglecting the user. Traditionally, interactive systems have been treated in the same manner as their fully automatic counterparts. Their performance is evaluated by computing the accuracy of their solutions under some fixed set of user interactions. This paper proposes a new evaluation and learning method which brings the user in the loop. It is based on the use of an active robot user - a simulated model of a human user. We show how this approach can be used to evaluate and learn parameters of state-of-the-art interactive segmentation systems. We also show how simulated user models can be integrated into the popular max-margin method for parameter learning and propose an algorithm to solve the resulting optimisation problem.

Web [BibTex]

2009

Web [BibTex]


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Detection of objects in noisy images and site percolation on square lattices

Langovoy, M., Wittich, O.

(2009-035), EURANDOM, Technische Universiteit Eindhoven, November 2009 (techreport)

Abstract
We propose a novel probabilistic method for detection of objects in noisy images. The method uses results from percolation and random graph theories. We present an algorithm that allows to detect objects of unknown shapes in the presence of random noise. Our procedure substantially differs from wavelets-based algorithms. The algorithm has linear complexity and exponential accuracy and is appropriate for real-time systems. We prove results on consistency and algorithmic complexity of our procedure.

PDF [BibTex]

PDF [BibTex]


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An Incremental GEM Framework for Multiframe Blind Deconvolution, Super-Resolution, and Saturation Correction

Harmeling, S., Sra, S., Hirsch, M., Schölkopf, B.

(187), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2009 (techreport)

Abstract
We develop an incremental generalized expectation maximization (GEM) framework to model the multiframe blind deconvolution problem. A simplistic version of this problem was recently studied by Harmeling etal~cite{harmeling09}. We solve a more realistic version of this problem which includes the following major features: (i) super-resolution ability emph{despite} noise and unknown blurring; (ii) saturation-correction, i.e., handling of overexposed pixels that can otherwise confound the image processing; and (iii) simultaneous handling of color channels. These features are seamlessly integrated into our incremental GEM framework to yield simple but efficient multiframe blind deconvolution algorithms. We present technical details concerning critical steps of our algorithms, especially to highlight how all operations can be written using matrix-vector multiplications. We apply our algorithm to real-world images from astronomy and super resolution tasks. Our experimental results show that our methods yield improve d resolution and deconvolution at the same time.

PDF [BibTex]

PDF [BibTex]


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Efficient Filter Flow for Space-Variant Multiframe Blind Deconvolution

Hirsch, M., Sra, S., Schölkopf, B., Harmeling, S.

(188), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2009 (techreport)

Abstract
Ultimately being motivated by facilitating space-variant blind deconvolution, we present a class of linear transformations, that are expressive enough for space-variant filters, but at the same time especially designed for efficient matrix-vector-multiplications. Successful results on astronomical imaging through atmospheric turbulences and on noisy magnetic resonance images of constantly moving objects demonstrate the practical significance of our approach.

PDF [BibTex]

PDF [BibTex]


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Algebraic polynomials and moments of stochastic integrals

Langovoy, M.

(2009-031), EURANDOM, Technische Universiteit Eindhoven, October 2009 (techreport)

PDF [BibTex]

PDF [BibTex]


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Expectation Propagation on the Maximum of Correlated Normal Variables

Hennig, P.

Cavendish Laboratory: University of Cambridge, July 2009 (techreport)

Abstract
Many inference problems involving questions of optimality ask for the maximum or the minimum of a finite set of unknown quantities. This technical report derives the first two posterior moments of the maximum of two correlated Gaussian variables and the first two posterior moments of the two generating variables (corresponding to Gaussian approximations minimizing relative entropy). It is shown how this can be used to build a heuristic approximation to the maximum relationship over a finite set of Gaussian variables, allowing approximate inference by Expectation Propagation on such quantities.

Web [BibTex]

Web [BibTex]


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Consistent Nonparametric Tests of Independence

Gretton, A., Györfi, L.

(172), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, July 2009 (techreport)

Abstract
Three simple and explicit procedures for testing the independence of two multi-dimensional random variables are described. Two of the associated test statistics (L1, log-likelihood) are defined when the empirical distribution of the variables is restricted to finite partitions. A third test statistic is defined as a kernel-based independence measure. Two kinds of tests are provided. Distribution-free strong consistent tests are derived on the basis of large deviation bounds on the test statistcs: these tests make almost surely no Type I or Type II error after a random sample size. Asymptotically alpha-level tests are obtained from the limiting distribution of the test statistics. For the latter tests, the Type I error converges to a fixed non-zero value alpha, and the Type II error drops to zero, for increasing sample size. All tests reject the null hypothesis of independence if the test statistics become large. The performance of the tests is evaluated experimentally on benchmark data.

PDF [BibTex]

PDF [BibTex]


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Semi-supervised subspace analysis of human functional magnetic resonance imaging data

Shelton, J., Blaschko, M., Bartels, A.

(185), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, May 2009 (techreport)

Abstract
Kernel Canonical Correlation Analysis is a very general technique for subspace learning that incorporates PCA and LDA as special cases. Functional magnetic resonance imaging (fMRI) acquired data is naturally amenable to these techniques as data are well aligned. fMRI data of the human brain is a particularly interesting candidate. In this study we implemented various supervised and semi-supervised versions of KCCA on human fMRI data, with regression to single- and multi-variate labels (corresponding to video content subjects viewed during the image acquisition). In each variate condition, the semi-supervised variants of KCCA performed better than the supervised variants, including a supervised variant with Laplacian regularization. We additionally analyze the weights learned by the regression in order to infer brain regions that are important to different types of visual processing.

PDF [BibTex]

PDF [BibTex]


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Model selection, large deviations and consistency of data-driven tests

Langovoy, M.

(2009-007), EURANDOM, Technische Universiteit Eindhoven, March 2009 (techreport)

Abstract
We consider three general classes of data-driven statistical tests. Neyman's smooth tests, data-driven score tests and data-driven score tests for statistical inverse problems serve as important special examples for the classes of tests under consideration. Our tests are additionally incorporated with model selection rules. The rules are based on the penalization idea. Most of the optimal penalties, derived in statistical literature, can be used in our tests. We prove general consistency theorems for the tests from those classes. Our proofs make use of large deviations inequalities for deterministic and random quadratic forms. The paper shows that the tests can be applied for simple and composite parametric, semi- and nonparametric hypotheses. Applications to testing in statistical inverse problems and statistics for stochastic processes are also presented..

PDF [BibTex]

PDF [BibTex]

2006


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A New Projected Quasi-Newton Approach for the Nonnegative Least Squares Problem

Kim, D., Sra, S., Dhillon, I.

(TR-06-54), Univ. of Texas, Austin, December 2006 (techreport)

PDF [BibTex]

2006

PDF [BibTex]


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Probabilistic inference for solving (PO)MDPs

Toussaint, M., Harmeling, S., Storkey, A.

(934), School of Informatics, University of Edinburgh, December 2006 (techreport)

PDF [BibTex]

PDF [BibTex]


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Minimal Logical Constraint Covering Sets

Sinz, F., Schölkopf, B.

(155), Max Planck Institute for Biological Cybernetics, Tübingen, December 2006 (techreport)

Abstract
We propose a general framework for computing minimal set covers under class of certain logical constraints. The underlying idea is to transform the problem into a mathematical programm under linear constraints. In this sense it can be seen as a natural extension of the vector quantization algorithm proposed by Tipping and Schoelkopf. We show which class of logical constraints can be cast and relaxed into linear constraints and give an algorithm for the transformation.

PDF [BibTex]

PDF [BibTex]


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New Methods for the P300 Visual Speller

Biessmann, F.

(1), (Editors: Hill, J. ), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2006 (techreport)

PDF [BibTex]

PDF [BibTex]


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Geometric Analysis of Hilbert Schmidt Independence criterion based ICA contrast function

Shen, H., Jegelka, S., Gretton, A.

(PA006080), National ICT Australia, Canberra, Australia, October 2006 (techreport)

Web [BibTex]

Web [BibTex]


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Semi-Supervised Learning

Chapelle, O., Schölkopf, B., Zien, A.

pages: 508, Adaptive computation and machine learning, MIT Press, Cambridge, MA, USA, September 2006 (book)

Abstract
In the field of machine learning, semi-supervised learning (SSL) occupies the middle ground, between supervised learning (in which all training examples are labeled) and unsupervised learning (in which no label data are given). Interest in SSL has increased in recent years, particularly because of application domains in which unlabeled data are plentiful, such as images, text, and bioinformatics. This first comprehensive overview of SSL presents state-of-the-art algorithms, a taxonomy of the field, selected applications, benchmark experiments, and perspectives on ongoing and future research. Semi-Supervised Learning first presents the key assumptions and ideas underlying the field: smoothness, cluster or low-density separation, manifold structure, and transduction. The core of the book is the presentation of SSL methods, organized according to algorithmic strategies. After an examination of generative models, the book describes algorithms that implement the low-density separation assumption, graph-based methods, and algorithms that perform two-step learning. The book then discusses SSL applications and offers guidelines for SSL practitioners by analyzing the results of extensive benchmark experiments. Finally, the book looks at interesting directions for SSL research. The book closes with a discussion of the relationship between semi-supervised learning and transduction.

Web [BibTex]

Web [BibTex]


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A tutorial on spectral clustering

von Luxburg, U.

(149), Max Planck Institute for Biological Cybernetics, Tübingen, August 2006 (techreport)

Abstract
In recent years, spectral clustering has become one of the most popular modern clustering algorithms. It is simple to implement, can be solved efficiently by standard linear algebra software, and very often outperforms traditional clustering algorithms such as the k-means algorithm. Nevertheless, on the first glance spectral clustering looks a bit mysterious, and it is not obvious to see why it works at all and what it really does. This article is a tutorial introduction to spectral clustering. We describe different graph Laplacians and their basic properties, present the most common spectral clustering algorithms, and derive those algorithms from scratch by several different approaches. Advantages and disadvantages of the different spectral clustering algorithms are discussed.

PDF [BibTex]

PDF [BibTex]


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Towards the Inference of Graphs on Ordered Vertexes

Zien, A., Raetsch, G., Ong, C.

(150), Max Planck Institute for Biological Cybernetics, Tübingen, August 2006 (techreport)

Abstract
We propose novel methods for machine learning of structured output spaces. Specifically, we consider outputs which are graphs with vertices that have a natural order. We consider the usual adjacency matrix representation of graphs, as well as two other representations for such a graph: (a) decomposing the graph into a set of paths, (b) converting the graph into a single sequence of nodes with labeled edges. For each of the three representations, we propose an encoding and decoding scheme. We also propose an evaluation measure for comparing two graphs.

PDF [BibTex]

PDF [BibTex]


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Nonnegative Matrix Approximation: Algorithms and Applications

Sra, S., Dhillon, I.

Univ. of Texas, Austin, May 2006 (techreport)

[BibTex]

[BibTex]


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Advances in Neural Information Processing Systems 18: Proceedings of the 2005 Conference

Weiss, Y., Schölkopf, B., Platt, J.

Proceedings of the 19th Annual Conference on Neural Information Processing Systems (NIPS 2005), pages: 1676, MIT Press, Cambridge, MA, USA, 19th Annual Conference on Neural Information Processing Systems (NIPS), May 2006 (proceedings)

Abstract
The annual Neural Information Processing Systems (NIPS) conference is the flagship meeting on neural computation. It draws a diverse group of attendees--physicists, neuroscientists, mathematicians, statisticians, and computer scientists. The presentations are interdisciplinary, with contributions in algorithms, learning theory, cognitive science, neuroscience, brain imaging, vision, speech and signal processing, reinforcement learning and control, emerging technologies, and applications. Only twenty-five percent of the papers submitted are accepted for presentation at NIPS, so the quality is exceptionally high. This volume contains the papers presented at the December 2005 meeting, held in Vancouver.

Web [BibTex]

Web [BibTex]


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An Automated Combination of Sequence Motif Kernels for Predicting Protein Subcellular Localization

Zien, A., Ong, C.

(146), Max Planck Institute for Biological Cybernetics, Tübingen, April 2006 (techreport)

Abstract
Protein subcellular localization is a crucial ingredient to many important inferences about cellular processes, including prediction of protein function and protein interactions. While many predictive computational tools have been proposed, they tend to have complicated architectures and require many design decisions from the developer. We propose an elegant and fully automated approach to building a prediction system for protein subcellular localization. We propose a new class of protein sequence kernels which considers all motifs including motifs with gaps. This class of kernels allows the inclusion of pairwise amino acid distances into their computation. We further propose a multiclass support vector machine method which directly solves protein subcellular localization without resorting to the common approach of splitting the problem into several binary classification problems. To automatically search over families of possible amino acid motifs, we generalize our method to optimize over multiple kernels at the same time. We compare our automated approach to four other predictors on three different datasets.

PDF Web [BibTex]

PDF Web [BibTex]


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Training a Support Vector Machine in the Primal

Chapelle, O.

(147), Max Planck Institute for Biological Cybernetics, Tübingen, April 2006, The version in the "Large Scale Kernel Machines" book is more up to date. (techreport)

Abstract
Most literature on Support Vector Machines (SVMs) concentrate on the dual optimization problem. In this paper, we would like to point out that the primal problem can also be solved efficiently, both for linear and non-linear SVMs, and there is no reason for ignoring it. Moreover, from the primal point of view, new families of algorithms for large scale SVM training can be investigated.

PDF [BibTex]

PDF [BibTex]


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Cross-Validation Optimization for Structured Hessian Kernel Methods

Seeger, M., Chapelle, O.

Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, February 2006 (techreport)

Abstract
We address the problem of learning hyperparameters in kernel methods for which the Hessian of the objective is structured. We propose an approximation to the cross-validation log likelihood whose gradient can be computed analytically, solving the hyperparameter learning problem efficiently through nonlinear optimization. Crucially, our learning method is based entirely on matrix-vector multiplication primitives with the kernel matrices and their derivatives, allowing straightforward specialization to new kernels or to large datasets. When applied to the problem of multi-way classification, our method scales linearly in the number of classes and gives rise to state-of-the-art results on a remote imaging task.

PDF Web [BibTex]

PDF Web [BibTex]


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Gaussian Processes for Machine Learning

Rasmussen, CE., Williams, CKI.

pages: 248, Adaptive Computation and Machine Learning, MIT Press, Cambridge, MA, USA, January 2006 (book)

Abstract
Gaussian processes (GPs) provide a principled, practical, probabilistic approach to learning in kernel machines. GPs have received increased attention in the machine-learning community over the past decade, and this book provides a long-needed systematic and unified treatment of theoretical and practical aspects of GPs in machine learning. The treatment is comprehensive and self-contained, targeted at researchers and students in machine learning and applied statistics. The book deals with the supervised-learning problem for both regression and classification, and includes detailed algorithms. A wide variety of covariance (kernel) functions are presented and their properties discussed. Model selection is discussed both from a Bayesian and a classical perspective. Many connections to other well-known techniques from machine learning and statistics are discussed, including support-vector machines, neural networks, splines, regularization networks, relevance vector machines and others. Theoretical issues including learning curves and the PAC-Bayesian framework are treated, and several approximation methods for learning with large datasets are discussed. The book contains illustrative examples and exercises, and code and datasets are available on the Web. Appendixes provide mathematical background and a discussion of Gaussian Markov processes.

Web [BibTex]

Web [BibTex]


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Machine Learning Challenges: evaluating predictive uncertainty, visual object classification and recognising textual entailment

Quinonero Candela, J., Dagan, I., Magnini, B., Lauria, F.

Proceedings of the First Pascal Machine Learning Challenges Workshop on Machine Learning Challenges, Evaluating Predictive Uncertainty, Visual Object Classification and Recognizing Textual Entailment (MLCW 2005), pages: 462, Lecture Notes in Computer Science, Springer, Heidelberg, Germany, First Pascal Machine Learning Challenges Workshop (MLCW), 2006 (proceedings)

Abstract
This book constitutes the thoroughly refereed post-proceedings of the First PASCAL (pattern analysis, statistical modelling and computational learning) Machine Learning Challenges Workshop, MLCW 2005, held in Southampton, UK in April 2005. The 25 revised full papers presented were carefully selected during two rounds of reviewing and improvement from about 50 submissions. The papers reflect the concepts of three challenges dealt with in the workshop: finding an assessment base on the uncertainty of predictions using classical statistics, Bayesian inference, and statistical learning theory; the second challenge was to recognize objects from a number of visual object classes in realistic scenes; the third challenge of recognizing textual entailment addresses semantic analysis of language to form a generic framework for applied semantic inference in text understanding.

Web DOI [BibTex]

Web DOI [BibTex]


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Implicit Wiener Series, Part II: Regularised estimation

Gehler, P., Franz, M.

(148), Max Planck Institute, 2006 (techreport)

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.

PDF Web [BibTex]

2003

PDF Web [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)

DOI [BibTex]

DOI [BibTex]


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Technical report on Separation methods for nonlinear mixtures

Jutten, C., Karhunen, J., Almeida, L., Harmeling, S.

(D29), EU-Project BLISS, October 2003 (techreport)

PDF [BibTex]

PDF [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)

PDF [BibTex]

PDF [BibTex]


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Technical report on implementation of linear methods and validation on acoustic sources

Harmeling, S., Bünau, P., Ziehe, A., Pham, D.

EU-Project BLISS, September 2003 (techreport)

PDF [BibTex]

PDF [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.

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.

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.

[BibTex]

[BibTex]


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The Metric Nearness Problem with Applications

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

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

GZIP [BibTex]

GZIP [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.

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.

PDF [BibTex]

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]