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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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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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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]


Thumb xl screen shot 2012 06 06 at 11.31.38 am
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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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]


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Modeling Data using Directional Distributions

Dhillon, I., Sra, S.

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

GZIP [BibTex]

GZIP [BibTex]


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A Note on Parameter Tuning for On-Line Shifting Algorithms

Bousquet, O.

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

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

PDF PostScript [BibTex]

PDF PostScript [BibTex]


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

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

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

PDF PostScript [BibTex]

PDF PostScript [BibTex]


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Interactive Images

Toyama, K., Schölkopf, B.

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

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

Web [BibTex]

Web [BibTex]

2002


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Kernel Dependency Estimation

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

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

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

PDF [BibTex]

2002

PDF [BibTex]


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Global Geometry of SVM Classifiers

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

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

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

PDF PostScript [BibTex]

PDF PostScript [BibTex]


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Computationally Efficient Face Detection

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

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

Web [BibTex]

Web [BibTex]


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Kernel-based nonlinear blind source separation

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

EU-Project BLISS, January 2002 (techreport)

GZIP [BibTex]

GZIP [BibTex]


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A compression approach to support vector model selection

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

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

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

[BibTex]

[BibTex]


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

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

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

Web [BibTex]

Web [BibTex]


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Observations on the Nyström Method for Gaussian Process Prediction

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

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

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

PostScript [BibTex]

PostScript [BibTex]

1998


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Generalization bounds and learning rates for Regularized principal manifolds

Smola, A., Williamson, R., Schölkopf, B.

NeuroCOLT, 1998, NeuroColt2-TR 1998-027 (techreport)

[BibTex]

1998

[BibTex]


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Generalization Bounds for Convex Combinations of Kernel Functions

Smola, A., Williamson, R., Schölkopf, B.

Royal Holloway College, 1998 (techreport)

[BibTex]

[BibTex]


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Generalization Performance of Regularization Networks and Support Vector Machines via Entropy Numbers of Compact Operators

Williamson, R., Smola, A., Schölkopf, B.

(19), NeuroCOLT, 1998, Accepted for publication in IEEE Transactions on Information Theory (techreport)

[BibTex]

[BibTex]


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Quantization Functionals and Regularized PrincipalManifolds

Smola, A., Mika, S., Schölkopf, B.

NeuroCOLT, 1998, NC2-TR-1998-028 (techreport)

[BibTex]

[BibTex]


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Support Vector Machine Reference Manual

Saunders, C., Stitson, M., Weston, J., Bottou, L., Schölkopf, B., Smola, A.

(CSD-TR-98-03), Department of Computer Science, Royal Holloway, University of London, 1998 (techreport)

PostScript [BibTex]

PostScript [BibTex]

1996


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The DELVE user manual

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

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

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

GZIP [BibTex]

1996

GZIP [BibTex]


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Nonlinear Component Analysis as a Kernel Eigenvalue Problem

Schölkopf, B., Smola, A., Müller, K.

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

Abstract
We describe a new method for performing a nonlinear form of Principal Component Analysis. By the use of integral operator kernel functions, we can efficiently compute principal components in high-dimensional feature spaces, related to input space by some nonlinear map; for instance the space of all possible 5-pixel products in 16 x 16 images. We give the derivation of the method, along with a discussion of other techniques which can be made nonlinear with the kernel approach; and present first experimental results on nonlinear feature extraction for pattern recognition.

[BibTex]

[BibTex]


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Learning View Graphs for Robot Navigation

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

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

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

[BibTex]

[BibTex]