Publications | Max Planck Institute for Intelligent Systems

43 results (View BibTeX file of all listed publications)

2008

Frequent Subgraph Retrieval in Geometric Graph Databases

(180), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2008 (techreport)

Abstract

Discovery of knowledge from geometric graph databases is of particular importance in chemistry and biology, because chemical compounds and proteins are represented as graphs with 3D geometric coordinates. In such applications, scientists are not interested in the statistics of the whole database. Instead they need information about a novel drug candidate or protein at hand, represented as a query graph. We propose a polynomial-delay algorithm for geometric frequent subgraph retrieval. It enumerates all subgraphs of a single given query graph which are frequent geometric epsilon-subgraphs under the entire class of rigid geometric transformations in a database. By using geometric epsilon-subgraphs, we achieve tolerance against variations in geometry. We compare the proposed algorithm to gSpan on chemical compound data, and we show that for a given minimum support the total number of frequent patterns is substantially limited by requiring geometric matching. Although the computation time per pattern is larger than for non-geometric graph mining, the total time is within a reasonable level even for small minimum support.

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2008

ei Nowozin, S., Tsuda, K. Frequent Subgraph Retrieval in Geometric Graph Databases (180), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2008 (techreport)

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Simultaneous Implicit Surface Reconstruction and Meshing

Giesen, J., Maier, M., Schölkopf, B.

(179), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2008 (techreport)

Abstract

We investigate an implicit method to compute a piecewise linear representation of a surface from a set of sample points. As implicit surface functions we use the weighted sum of piecewise linear kernel functions. For such a function we can partition Rd in such a way that these functions are linear on the subsets of the partition. For each subset in the partition we can then compute the zero level set of the function exactly as the intersection of a hyperplane with the subset.

PDF [BibTex]

ei Giesen, J., Maier, M., Schölkopf, B. Simultaneous Implicit Surface Reconstruction and Meshing (179), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2008 (techreport)

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Taxonomy Inference Using Kernel Dependence Measures

Blaschko, M., Gretton, A.

(181), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2008 (techreport)

Abstract

We introduce a family of unsupervised algorithms, numerical taxonomy clustering, to simultaneously cluster data, and to learn a taxonomy that encodes the relationship between the clusters. The algorithms work by maximizing the dependence between the taxonomy and the original data. The resulting taxonomy is a more informative visualization of complex data than simple clustering; in addition, taking into account the relations between different clusters is shown to substantially improve the quality of the clustering, when compared with state-of-the-art algorithms in the literature (both spectral clustering and a previous dependence maximization approach). We demonstrate our algorithm on image and text data.

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ei Blaschko, M., Gretton, A. Taxonomy Inference Using Kernel Dependence Measures (181), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2008 (techreport)

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Infinite Kernel Learning

Gehler, P., Nowozin, S.

(178), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, October 2008 (techreport)

Abstract

In this paper we consider the problem of automatically learning the kernel from general kernel classes. Specifically we build upon the Multiple Kernel Learning (MKL) framework and in particular on the work of (Argyriou, Hauser, Micchelli, & Pontil, 2006). We will formulate a Semi-Infinite Program (SIP) to solve the problem and devise a new algorithm to solve it (Infinite Kernel Learning, IKL). The IKL algorithm is applicable to both the finite and infinite case and we find it to be faster and more stable than SimpleMKL (Rakotomamonjy, Bach, Canu, & Grandvalet, 2007) for cases of many kernels. In the second part we present the first large scale comparison of SVMs to MKL on a variety of benchmark datasets, also comparing IKL. The results show two things: a) for many datasets there is no benefit in linearly combining kernels with MKL/IKL instead of the SVM classifier, thus the flexibility of using more than one kernel seems to be of no use, b) on some datasets IKL yields impressive increases in accuracy over SVM/MKL due to the possibility of using a largely increased kernel set. In those cases, IKL remains practical, whereas both cross-validation or standard MKL is infeasible.

PDF Web [BibTex]

ei Gehler, P., Nowozin, S. Infinite Kernel Learning (178), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, October 2008 (techreport)

PDF Web [BibTex]

Infinite Kernel Learning

Gehler, P., Nowozin, S.

(178), Max Planck Institute, octomber 2008 (techreport)

project page pdf [BibTex]

ps Gehler, P., Nowozin, S. Infinite Kernel Learning (178), Max Planck Institute, octomber 2008 (techreport)

project page pdf [BibTex]

Large Scale Variational Inference and Experimental Design for Sparse Generalized Linear Models

Seeger, M., Nickisch, H.

(175), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, September 2008 (techreport)

PDF [BibTex]

ei Seeger, M., Nickisch, H. Large Scale Variational Inference and Experimental Design for Sparse Generalized Linear Models (175), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, September 2008 (techreport)

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Block-Iterative Algorithms for Non-Negative Matrix Approximation

Sra, S.

(176), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, September 2008 (techreport)

Abstract

In this report we present new algorithms for non-negative matrix approximation (NMA), commonly known as the NMF problem. Our methods improve upon the well-known methods of Lee & Seung [19] for both the Frobenius norm as well the Kullback-Leibler divergence versions of the problem. For the latter problem, our results are especially interesting because it seems to have witnessed much lesser algorithmic progress as compared to the Frobenius norm NMA problem. Our algorithms are based on a particular block-iterative acceleration technique for EM, which preserves the multiplicative nature of the updates and also ensures monotonicity. Furthermore, our algorithms also naturally apply to the Bregman-divergence NMA algorithms of Dhillon and Sra [8]. Experimentally, we show that our algorithms outperform the traditional Lee/Seung approach most of the time.

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ei Sra, S. Block-Iterative Algorithms for Non-Negative Matrix Approximation (176), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, September 2008 (techreport)

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Approximation Algorithms for Bregman Clustering Co-clustering and Tensor Clustering

Sra, S., Jegelka, S., Banerjee, A.

(177), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, September 2008 (techreport)

Abstract

The Euclidean K-means problem is fundamental to clustering and over the years it has been intensely investigated. More recently, generalizations such as Bregman k-means [8], co-clustering [10], and tensor (multi-way) clustering [40] have also gained prominence. A well-known computational difficulty encountered by these clustering problems is the NP-Hardness of the associated optimization task, and commonly used methods guarantee at most local optimality. Consequently, approximation algorithms of varying degrees of sophistication have been developed, though largely for the basic Euclidean K-means (or `1-norm K-median) problem. In this paper we present approximation algorithms for several Bregman clustering problems by building upon the recent paper of Arthur and Vassilvitskii [5]. Our algorithms obtain objective values within a factor O(logK) for Bregman k-means, Bregman co-clustering, Bregman tensor clustering, and weighted kernel k-means. To our knowledge, except for some special cases, approximation algorithms have not been considered for these general clustering problems. There are several important implications of our work: (i) under the same assumptions as Ackermann et al. [1] it yields a much faster algorithm (non-exponential in K, unlike [1]) for information-theoretic clustering, (ii) it answers several open problems posed by [4], including generalizations to Bregman co-clustering, and tensor clustering, (iii) it provides practical and easy to implement methodsin contrast to several other common approximation approaches.

PDF [BibTex]

ei Sra, S., Jegelka, S., Banerjee, A. Approximation Algorithms for Bregman Clustering Co-clustering and Tensor Clustering (177), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, September 2008 (techreport)

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Combining Appearance and Motion for Human Action Classification in Videos

Dhillon, P., Nowozin, S., Lampert, C.

(174), Max-Planck-Institute for Biological Cybernetics, Tübingen, Germany, August 2008 (techreport)

Abstract

We study the question of activity classification in videos and present a novel approach for recognizing human action categories in videos by combining information from appearance and motion of human body parts. Our approach uses a tracking step which involves Particle Filtering and a local non - parametric clustering step. The motion information is provided by the trajectory of the cluster modes of a local set of particles. The statistical information about the particles of that cluster over a number of frames provides the appearance information. Later we use a Bag ofWords model to build one histogram per video sequence from the set of these robust appearance and motion descriptors. These histograms provide us characteristic information which helps us to discriminate among various human actions and thus classify them correctly. We tested our approach on the standard KTH and Weizmann human action datasets and the results were comparable to the state of the art. Additionally our approach is able to distinguish between activities that involve the motion of complete body from those in which only certain body parts move. In other words, our method discriminates well between activities with gross motion like running, jogging etc. and local motion like waving, boxing etc.

PDF [BibTex]

ei Dhillon, P., Nowozin, S., Lampert, C. Combining Appearance and Motion for Human Action Classification in Videos (174), Max-Planck-Institute for Biological Cybernetics, Tübingen, Germany, August 2008 (techreport)

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Example-based Learning for Single-image Super-resolution and JPEG Artifact Removal

Kim, K., Kwon, Y.

(173), Max-Planck-Institute for Biological Cybernetics, Tübingen, Germany, August 2008 (techreport)

Abstract

This paper proposes a framework for single-image super-resolution and JPEG artifact removal. The underlying idea is to learn a map from input low-quality images (suitably preprocessed low-resolution or JPEG encoded images) to target high-quality images based on example pairs of input and output images. To retain the complexity of the resulting learning problem at a moderate level, a patch-based approach is taken such that kernel ridge regression (KRR) scans the input image with a small window (patch) and produces a patchvalued output for each output pixel location. These constitute a set of candidate images each of which reflects different local information. An image output is then obtained as a convex combination of candidates for each pixel based on estimated confidences of candidates. To reduce the time complexity of training and testing for KRR, a sparse solution is found by combining the ideas of kernel matching pursuit and gradient descent. As a regularized solution, KRR leads to a better generalization than simply storing the examples as it has been done in existing example-based super-resolution algorithms and results in much less noisy images. However, this may introduce blurring and ringing artifacts around major edges as sharp changes are penalized severely. A prior model of a generic image class which takes into account the discontinuity property of images is adopted to resolve this problem. Comparison with existing super-resolution and JPEG artifact removal methods shows the effectiveness of the proposed method. Furthermore, the proposed method is generic in that it has the potential to be applied to many other image enhancement applications.

PDF [BibTex]

ei Kim, K., Kwon, Y. Example-based Learning for Single-image Super-resolution and JPEG Artifact Removal (173), Max-Planck-Institute for Biological Cybernetics, Tübingen, Germany, August 2008 (techreport)

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Unsupervised Bayesian Time-series Segmentation based on Linear Gaussian State-space Models

Chiappa, S.

(171), Max-Planck-Institute for Biological Cybernetics, Tübingen, Germany, June 2008 (techreport)

Abstract

Unsupervised time-series segmentation in the general scenario in which the number of segment-types and segment boundaries are a priori unknown is a fundamental problem in many applications and requires an accurate segmentation model as well as a way of determining an appropriate number of segment-types. In most approaches, segmentation and determination of number of segment-types are addressed in two separate steps, since the segmentation model assumes a predefined number of segment-types. The determination of number of segment-types is thus achieved by training and comparing several separate models. In this paper, we take a Bayesian approach to a segmentation model based on linear Gaussian state-space models to achieve structure selection within the model. An appropriate prior distribution on the parameters is used to enforce a sparse parametrization, such that the model automatically selects the smallest number of underlying dynamical systems that explain the data well and a parsimonious structure for each dynamical system. As the resulting model is computationally intractable, we introduce a variational approximation, in which a reformulation of the problem enables to use an efficient inference algorithm.

[BibTex]

ei Chiappa, S. Unsupervised Bayesian Time-series Segmentation based on Linear Gaussian State-space Models (171), Max-Planck-Institute for Biological Cybernetics, Tübingen, Germany, June 2008 (techreport)

[BibTex]

A New Non-monotonic Gradient Projection Method for the Non-negative Least Squares Problem

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

(TR-08-28), University of Texas, Austin, TX, USA, June 2008 (techreport)

Web [BibTex]

ei Kim, D., Sra, S., Dhillon, I. A New Non-monotonic Gradient Projection Method for the Non-negative Least Squares Problem (TR-08-28), University of Texas, Austin, TX, USA, June 2008 (techreport)

Web [BibTex]

Non-monotonic Poisson Likelihood Maximization

Sra, S., Kim, D., Schölkopf, B.

(170), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, June 2008 (techreport)

Abstract

This report summarizes the theory and some main applications of a new non-monotonic algorithm for maximizing a Poisson Likelihood, which for Positron Emission Tomography (PET) is equivalent to minimizing the associated Kullback-Leibler Divergence, and for Transmission Tomography is similar to maximizing the dual of a maximum entropy problem. We call our method non-monotonic maximum likelihood (NMML) and show its application to different problems such as tomography and image restoration. We discuss some theoretical properties such as convergence for our algorithm. Our experimental results indicate that speedups obtained via our non-monotonic methods are substantial.

PDF [BibTex]

ei Sra, S., Kim, D., Schölkopf, B. Non-monotonic Poisson Likelihood Maximization (170), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, June 2008 (techreport)

PDF [BibTex]

A Kernel Method for the Two-sample Problem

Gretton, A., Borgwardt, K., Rasch, M., Schölkopf, B., Smola, A.

(157), Max-Planck-Institute for Biological Cybernetics Tübingen, April 2008 (techreport)

Abstract

We propose a framework for analyzing and comparing distributions, allowing us to design statistical tests to determine if two samples are drawn from different distributions. Our test statistic is the largest difference in expectations over functions in the unit ball of a reproducing kernel Hilbert space (RKHS). We present two tests based on large deviation bounds for the test statistic, while a third is based on the asymptotic distribution of this statistic. The test statistic can be computed in quadratic time, although efficient linear time approximations are available. Several classical metrics on distributions are recovered when the function space used to compute the difference in expectations is allowed to be more general (eg.~a Banach space). We apply our two-sample tests to a variety of problems, including attribute matching for databases using the Hungarian marriage method, where they perform strongly. Excellent performance is also obtained when comparing distributions over graphs, for which these are the first such tests.

PDF [BibTex]

ei Gretton, A., Borgwardt, K., Rasch, M., Schölkopf, B., Smola, A. A Kernel Method for the Two-sample Problem (157), Max-Planck-Institute for Biological Cybernetics Tübingen, April 2008 (techreport)

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Energy Functionals for Manifold-valued Mappings and Their Properties

Hein, M., Steinke, F., Schölkopf, B.

(167), Max Planck Institute for Biological Cybernetics, Tübingen, January 2008 (techreport)

Abstract

This technical report is merely an extended version of the appendix of Steinke et.al. "Manifold-valued Thin-Plate Splines with Applications in Computer Graphics" (2008) with complete proofs, which had to be omitted due to space restrictions. This technical report requires a basic knowledge of differential geometry. However, apart from that requirement the technical report is self-contained.

PDF [BibTex]

ei Hein, M., Steinke, F., Schölkopf, B. Energy Functionals for Manifold-valued Mappings and Their Properties (167), Max Planck Institute for Biological Cybernetics, Tübingen, January 2008 (techreport)

PDF [BibTex]

Biologically Inspired Polymer Micro-Patterned Adhesives

Cheung, E., Sitti, M.

EDGEWOOD CHEMICAL BIOLOGICAL CENTER ABERDEEN PROVING GROUND MD, 2008 (techreport)

[BibTex]

pi Cheung, E., Sitti, M. Biologically Inspired Polymer Micro-Patterned Adhesives EDGEWOOD CHEMICAL BIOLOGICAL CENTER ABERDEEN PROVING GROUND MD, 2008 (techreport)

[BibTex]

Incremental nonparametric Bayesian regression

Wood, F., Grollman, D. H., Heller, K. A., Jenkins, O. C., Black, M. J.

(CS-08-07), Brown University, Department of Computer Science, 2008 (techreport)

pdf [BibTex]

ps Wood, F., Grollman, D. H., Heller, K. A., Jenkins, O. C., Black, M. J. Incremental nonparametric Bayesian regression (CS-08-07), Brown University, Department of Computer Science, 2008 (techreport)

pdf [BibTex]

Efficient inverse kinematics algorithms for highdimensional movement systems

Tevatia, G., Schaal, S.

CLMC Technical Report: TR-CLMC-2008-1, 2008, clmc (techreport)

Abstract

Real-time control of the endeffector of a humanoid robot in external coordinates requires computationally efficient solutions of the inverse kinematics problem. In this context, this paper investigates methods of resolved motion rate control (RMRC) that employ optimization criteria to resolve kinematic redundancies. In particular we focus on two established techniques, the pseudo inverse with explicit optimization and the extended Jacobian method. We prove that the extended Jacobian method includes pseudo-inverse methods as a special solution. In terms of computational complexity, however, pseudo-inverse and extended Jacobian differ significantly in favor of pseudo-inverse methods. Employing numerical estimation techniques, we introduce a computationally efficient version of the extended Jacobian with performance comparable to the original version. Our results are illustrated in simulation studies with a multiple degree-offreedom robot, and were evaluated on an actual 30 degree-of-freedom full-body humanoid robot.

link (url) [BibTex]

am Tevatia, G., Schaal, S. Efficient inverse kinematics algorithms for highdimensional movement systems CLMC Technical Report: TR-CLMC-2008-1, 2008, clmc (techreport)

link (url) [BibTex]

2003

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

ei Lal, T., Schröder, M., Hinterberger, T., Weston, J., Bogdan, M., Birbaumer, N., Schölkopf, B. Support Vector Channel Selection in BCI (120), Max Planck Institute for Biological Cybernetics, Tuebingen, Germany, December 2003 (techreport)

PDF Web [BibTex]

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]

ei Jutten, C., Karhunen, J., Almeida, L., Harmeling, S. Technical report on Separation methods for nonlinear mixtures (D29), EU-Project BLISS, October 2003 (techreport)

PDF [BibTex]

Image Reconstruction by Linear Programming

Tsuda, K., Rätsch, G.

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

PDF [BibTex]

ei Tsuda, K., Rätsch, G. Image Reconstruction by Linear Programming (118), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, October 2003 (techreport)

PDF [BibTex]

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]

ei Harmeling, S., Bünau, P., Ziehe, A., Pham, D. Technical report on implementation of linear methods and validation on acoustic sources EU-Project BLISS, September 2003 (techreport)

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On optimization, parallelization and convergence of the Expectation-Maximization algorithm for finite mixtures of Bernoulli distributions.

Erhan, D.

Helsinki University of Technology, Helsinki, Finland, August 2003 (techreport)

PDF [BibTex]

ei Erhan, D. On optimization, parallelization and convergence of the Expectation-Maximization algorithm for finite mixtures of Bernoulli distributions. Helsinki University of Technology, Helsinki, Finland, August 2003 (techreport)

PDF [BibTex]

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]

ei Zhou, D., Weston, J., Gretton, A., Bousquet, O., Schölkopf, B. Ranking on Data Manifolds (113), Max Planck Institute for Biological Cybernetics, 72076 Tuebingen, Germany, June 2003 (techreport)

PDF [BibTex]

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]

ei Kim, K., Franz, M., Schölkopf, B. Kernel Hebbian Algorithm for Iterative Kernel Principal Component Analysis (109), MPI f. biologische Kybernetik, Tuebingen, June 2003 (techreport)

PDF [BibTex]

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]

ei Zhou, D., Bousquet, O., Lal, T., Weston, J., Schölkopf, B. Learning with Local and Global Consistency (112), Max Planck Institute for Biological Cybernetics, Tuebingen, Germany, June 2003 (techreport)

[BibTex]

The Metric Nearness Problem with Applications

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

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

GZIP [BibTex]

ei Dhillon, I., Sra, S., Tropp, J. The Metric Nearness Problem with Applications Univ. of Texas at Austin, June 2003 (techreport)

GZIP [BibTex]

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]

ei Franz, M., Schölkopf, B. Implicit Wiener Series (114), Max Planck Institute for Biological Cybernetics, June 2003 (techreport)

PDF [BibTex]

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]

ei Weston, J., Leslie, C., Elisseeff, A., Noble, W. Machine Learning approaches to protein ranking: discriminative, semi-supervised, scalable algorithms (111), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, June 2003 (techreport)

PDF [BibTex]

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]

ei Kuss, M., Graepel, T. The Geometry Of Kernel Canonical Correlation Analysis (108), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, May 2003 (techreport)

PDF [BibTex]

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]

ei Gretton, A., Herbrich, R., Smola, A. The Kernel Mutual Information Max Planck Institute for Biological Cybernetics, April 2003 (techreport)

PostScript [BibTex]

Expectation Maximization for Clustering on Hyperspheres

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

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

GZIP [BibTex]

ei Banerjee, A., Dhillon, I., Ghosh, J., Sra, S. Expectation Maximization for Clustering on Hyperspheres Univ. of Texas at Austin, February 2003 (techreport)

GZIP [BibTex]

Modeling Data using Directional Distributions

Dhillon, I., Sra, S.

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

GZIP [BibTex]

ei Dhillon, I., Sra, S. Modeling Data using Directional Distributions Univ. of Texas at Austin, January 2003 (techreport)

GZIP [BibTex]

A Note on Parameter Tuning for On-Line Shifting Algorithms

Bousquet, O.

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

Abstract

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

PDF PostScript [BibTex]

ei Bousquet, O. A Note on Parameter Tuning for On-Line Shifting Algorithms Max Planck Institute for Biological Cybernetics, Tübingen, Germany, 2003 (techreport)

PDF PostScript [BibTex]

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

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

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

PDF PostScript [BibTex]

ei Quiñonero-Candela, J., Girard, A., Rasmussen, C. Prediction at an Uncertain Input for Gaussian Processes and Relevance Vector Machines - Application to Multiple-Step Ahead Time-Series Forecasting (IMM-2003-18), Max Planck Institute for Biological Cybernetics, Tübingen, Germany, 2003 (techreport)

PDF PostScript [BibTex]

Interactive Images

Toyama, K., Schölkopf, B.

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

Abstract

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

Web [BibTex]

ei Toyama, K., Schölkopf, B. Interactive Images (MSR-TR-2003-64), Microsoft Research, Cambridge, UK, 2003 (techreport)

Web [BibTex]

2002

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]

2002

ei Weston, J., Chapelle, O., Elisseeff, A., Schölkopf, B., Vapnik, V. Kernel Dependency Estimation (98), Max Planck Institute for Biological Cybernetics, August 2002 (techreport)

PDF [BibTex]

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]

ei Zhou, D., Xiao, B., Zhou, H., Dai, R. Global Geometry of SVM Classifiers Max Planck Institute for Biological Cybernetics, Tübingen, Germany, June 2002 (techreport)

PDF PostScript [BibTex]

Computationally Efficient Face Detection

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

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

Web [BibTex]

ei Romdhani, S., Torr, P., Schölkopf, B., Blake, A. Computationally Efficient Face Detection (MSR-TR-2002-69), Microsoft Research, June 2002 (techreport)

Web [BibTex]

Kernel-based nonlinear blind source separation

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

EU-Project BLISS, January 2002 (techreport)

GZIP [BibTex]

ei Harmeling, S., Ziehe, A., Kawanabe, M., Müller, K. Kernel-based nonlinear blind source separation EU-Project BLISS, January 2002 (techreport)

GZIP [BibTex]

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]

ei von Luxburg, U., Bousquet, O., Schölkopf, B. A compression approach to support vector model selection (101), Max Planck Institute for Biological Cybernetics, 2002, see more detailed JMLR version (techreport)

[BibTex]

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]

ei Weston, J., Perez-Cruz, F., Bousquet, O., Chapelle, O., Elisseeff, A., Schölkopf, B. Feature Selection and Transduction for Prediction of Molecular Bioactivity for Drug Design Max Planck Institute for Biological Cybernetics / Biowulf Technologies, 2002 (techreport)

Web [BibTex]

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]

ei Williams, C., Rasmussen, C., Schwaighofer, A., Tresp, V. Observations on the Nyström Method for Gaussian Process Prediction Max Planck Institute for Biological Cybernetics, Tübingen, Germany, 2002 (techreport)

PostScript [BibTex]

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