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2008


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Frequent Subgraph Retrieval in Geometric Graph Databases

Nowozin, S., Tsuda, K.

(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.

PDF [BibTex]

2008

PDF [BibTex]


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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]

PDF [BibTex]


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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.

PDF [BibTex]

PDF [BibTex]


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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]

PDF Web [BibTex]


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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]

PDF [BibTex]


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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.

PDF [BibTex]

PDF [BibTex]


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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 methods—in contrast to several other common approximation approaches.

PDF [BibTex]

PDF [BibTex]


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Reinforcement Learning for Motor Primitives

Kober, J.

Biologische Kybernetik, University of Stuttgart, Stuttgart, Germany, August 2008 (diplomathesis)

PDF [BibTex]

PDF [BibTex]


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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]

PDF [BibTex]


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Asymmetries of Time Series under Inverting their Direction

Peters, J.

Biologische Kybernetik, University of Heidelberg, August 2008 (diplomathesis)

PDF [BibTex]

PDF [BibTex]


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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]

PDF [BibTex]


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Learning an Interest Operator from Human Eye Movements

Kienzle, W.

Biologische Kybernetik, Eberhard-Karls-Universität Tübingen, Tübingen, Germany, July 2008 (phdthesis)

[BibTex]

[BibTex]


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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]

[BibTex]


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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]

Web [BibTex]


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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]

PDF [BibTex]


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Causal inference from statistical data

Sun, X.

Biologische Kybernetik, Technische Hochschule Karlsruhe, Karlsruhe, Germany, April 2008 (phdthesis)

Web [BibTex]

Web [BibTex]


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Pairwise Correlations and Multineuronal Firing Patterns in Primary Visual Cortex

Berens, P.

Biologische Kybernetik, Eberhard Karls Universität Tübingen, Tübingen, Germany, April 2008 (diplomathesis)

[BibTex]

[BibTex]


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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]

PDF [BibTex]


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Development and Application of a Python Scripting Framework for BCI2000

Schreiner, T.

Biologische Kybernetik, Eberhard-Karls-Universität Tübingen, Tübingen, Germany, January 2008 (diplomathesis)

[BibTex]

[BibTex]


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Efficient and Invariant Regularisation with Application to Computer Graphics

Walder, CJ.

Biologische Kybernetik, University of Queensland, Brisbane, Australia, January 2008 (phdthesis)

Abstract
This thesis develops the theory and practise of reproducing kernel methods. Many functional inverse problems which arise in, for example, machine learning and computer graphics, have been treated with practical success using methods based on a reproducing kernel Hilbert space perspective. This perspective is often theoretically convenient, in that many functional analysis problems reduce to linear algebra problems in these spaces. Somewhat more complex is the case of conditionally positive definite kernels, and we provide an introduction to both cases, deriving in a particularly elementary manner some key results for the conditionally positive definite case. A common complaint of the practitioner is the long running time of these kernel based algorithms. We provide novel ways of alleviating these problems by essentially using a non-standard function basis which yields computational advantages. That said, by doing so we must also forego the aforementioned theoretical conveniences, and hence need some additional analysis which we provide in order to make the approach practicable. We demonstrate that the method leads to state of the art performance on the problem of surface reconstruction from points. We also provide some analysis of kernels invariant to transformations such as translation and dilation, and show that this indicates the value of learning algorithms which use conditionally positive definite kernels. Correspondingly, we provide a few approaches for making such algorithms practicable. We do this either by modifying the kernel, or directly solving problems with conditionally positive definite kernels, which had previously only been solved with positive definite kernels. We demonstrate the advantage of this approach, in particular by attaining state of the art classification performance with only one free parameter.

PDF [BibTex]

PDF [BibTex]


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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]

PDF [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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Nonlinear Multivariate Analysis with Geodesic Kernels

Kuss, M.

Biologische Kybernetik, Technische Universität Berlin, February 2002 (diplomathesis)

GZIP [BibTex]

GZIP [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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Concentration Inequalities and Empirical Processes Theory Applied to the Analysis of Learning Algorithms

Bousquet, O.

Biologische Kybernetik, Ecole Polytechnique, 2002 (phdthesis) Accepted

Abstract
New classification algorithms based on the notion of 'margin' (e.g. Support Vector Machines, Boosting) have recently been developed. The goal of this thesis is to better understand how they work, via a study of their theoretical performance. In order to do this, a general framework for real-valued classification is proposed. In this framework, it appears that the natural tools to use are Concentration Inequalities and Empirical Processes Theory. Thanks to an adaptation of these tools, a new measure of the size of a class of functions is introduced, which can be computed from the data. This allows, on the one hand, to better understand the role of eigenvalues of the kernel matrix in Support Vector Machines, and on the other hand, to obtain empirical model selection criteria.

PostScript [BibTex]


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Support Vector Machines: Induction Principle, Adaptive Tuning and Prior Knowledge

Chapelle, O.

Biologische Kybernetik, 2002 (phdthesis)

Abstract
This thesis presents a theoretical and practical study of Support Vector Machines (SVM) and related learning algorithms. In a first part, we introduce a new induction principle from which SVMs can be derived, but some new algorithms are also presented in this framework. In a second part, after studying how to estimate the generalization error of an SVM, we suggest to choose the kernel parameters of an SVM by minimizing this estimate. Several applications such as feature selection are presented. Finally the third part deals with the incoporation of prior knowledge in a learning algorithm and more specifically, we studied the case of known invariant transormations and the use of unlabeled data.

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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Eine beweistheoretische Anwendung der

Harmeling, S.

Biologische Kybernetik, Westfälische Wilhelms-Universität Münster, Münster, May 1998 (diplomathesis)

PDF [BibTex]

1998

PDF [BibTex]


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Qualitative Modeling for Data Miner‘s Requirement

Shin, H.

Biologische Kybernetik, Hong-Ik University, Seoul, Korea, February 1998, Written in Korean (diplomathesis)

ZIP [BibTex]

ZIP [BibTex]


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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]

[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 Machines for Image Classification

Chapelle, O.

Biologische Kybernetik, Ecole Normale Superieure de Lyon, 1998 (diplomathesis)

GZIP [BibTex]

GZIP [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]