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2006


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Machine Learning and Applications in Biology

Shin, H.

6th Course in Bioinformatics for Molecular Biologist, March 2006 (talk)

Abstract
The emergence of the fields of computational biology and bioinformatics has alleviated the burden of solving many biological problems, saving the time and cost required for experiments and also providing predictions that guide new experiments. Within computational biology, machine learning algorithms have played a central role in dealing with the flood of biological data. The goal of this tutorial is to raise awareness and comprehension of machine learning so that biologists can properly match the task at hand to the corresponding analytical approach. We start by categorizing biological problem settings and introduce the general machine learning schemes that fit best to each or these categories. We then explore representative models in further detail, from traditional statistical models to recent kernel models, presenting several up-to-date research projects in bioinfomatics to exemplify how biological questions can benefit from a machine learning approach. Finally, we discuss how cooperation between biologists and machine learners might be made smoother.

PDF [BibTex]

2006

PDF [BibTex]


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Kernel extrapolation

Vishwanathan, SVN., Borgwardt, KM., Guttman, O., Smola, AJ.

Neurocomputing, 69(7-9):721-729, March 2006 (article)

Abstract
We present a framework for efficient extrapolation of reduced rank approximations, graph kernels, and locally linear embeddings (LLE) to unseen data. We also present a principled method to combine many of these kernels and then extrapolate them. Central to our method is a theorem for matrix approximation, and an extension of the representer theorem to handle multiple joint regularization constraints. Experiments in protein classification demonstrate the feasibility of our approach.

Web DOI [BibTex]

Web DOI [BibTex]


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Statistical Properties of Kernel Principal Component Analysis

Blanchard, G., Bousquet, O., Zwald, L.

Machine Learning, 66(2-3):259-294, March 2006 (article)

Abstract
We study the properties of the eigenvalues of Gram matrices in a non-asymptotic setting. Using local Rademacher averages, we provide data-dependent and tight bounds for their convergence towards eigenvalues of the corresponding kernel operator. We perform these computations in a functional analytic framework which allows to deal implicitly with reproducing kernel Hilbert spaces of infinite dimension. This can have applications to various kernel algorithms, such as Support Vector Machines (SVM). We focus on Kernel Principal Component Analysis (KPCA) and, using such techniques, we obtain sharp excess risk bounds for the reconstruction error. In these bounds, the dependence on the decay of the spectrum and on the closeness of successive eigenvalues is made explicit.

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Network-based de-noising improves prediction from microarray data

Kato, T., Murata, Y., Miura, K., Asai, K., Horton, P., Tsuda, K., Fujibuchi, W.

BMC Bioinformatics, 7(Suppl. 1):S4-S4, March 2006 (article)

Abstract
Prediction of human cell response to anti-cancer drugs (compounds) from microarray data is a challenging problem, due to the noise properties of microarrays as well as the high variance of living cell responses to drugs. Hence there is a strong need for more practical and robust methods than standard methods for real-value prediction. We devised an extended version of the off-subspace noise-reduction (de-noising) method to incorporate heterogeneous network data such as sequence similarity or protein-protein interactions into a single framework. Using that method, we first de-noise the gene expression data for training and test data and also the drug-response data for training data. Then we predict the unknown responses of each drug from the de-noised input data. For ascertaining whether de-noising improves prediction or not, we carry out 12-fold cross-validation for assessment of the prediction performance. We use the Pearson‘s correlation coefficient between the true and predicted respon se values as the prediction performance. De-noising improves the prediction performance for 65% of drugs. Furthermore, we found that this noise reduction method is robust and effective even when a large amount of artificial noise is added to the input data. We found that our extended off-subspace noise-reduction method combining heterogeneous biological data is successful and quite useful to improve prediction of human cell cancer drug responses from microarray data.

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Data mining problems and solutions for response modeling in CRM

Cho, S., Shin, H., Yu, E., Ha, K., MacLachlan, D.

Entrue Journal of Information Technology, 5(1):55-64, March 2006 (article)

Abstract
We present three data mining problems that are often encountered in building a response model. They are robust modeling, variable selection and data selection. Respective algorithmic solutions are given. They are bagging based ensemble, genetic algorithm based wrapper approach and nearest neighbor-based data selection in that order. A real world data set from Direct Marketing Educational Foundation, or DMEF4, is used to show their effectiveness. Proposed methods were found to solve the problems in a practical way.

PDF [BibTex]

PDF [BibTex]


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Model-based Design Analysis and Yield Optimization

Pfingsten, T., Herrmann, D., Rasmussen, C.

IEEE Transactions on Semiconductor Manufacturing, 19(4):475-486, February 2006 (article)

Abstract
Fluctuations are inherent to any fabrication process. Integrated circuits and micro-electro-mechanical systems are particularly affected by these variations, and due to high quality requirements the effect on the devices’ performance has to be understood quantitatively. In recent years it has become possible to model the performance of such complex systems on the basis of design specifications, and model-based Sensitivity Analysis has made its way into industrial engineering. We show how an efficient Bayesian approach, using a Gaussian process prior, can replace the commonly used brute-force Monte Carlo scheme, making it possible to apply the analysis to computationally costly models. We introduce a number of global, statistically justified sensitivity measures for design analysis and optimization. Two models of integrated systems serve us as case studies to introduce the analysis and to assess its convergence properties. We show that the Bayesian Monte Carlo scheme can save costly simulation runs and can ensure a reliable accuracy of the analysis.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Prenatal development of ocular dominance and orientation maps in a self-organizing model of V1

Jegelka, S., Bednar, J., Miikkulainen, R.

Neurocomputing, 69(10-12):1291-1296, February 2006 (article)

Abstract
How orientation and ocular-dominance (OD) maps develop before visual experience begins is controversial. Possible influences include molecular signals and spontaneous activity, but their contributions remain unclear. This paper presents LISSOM simulations suggesting that previsual spontaneous activity alone is sufficient for realistic OR and OD maps to develop. Individual maps develop robustly with various previsual patterns, and are aided by background noise. However, joint OR/OD maps depend crucially on how correlated the patterns are between eyes, even over brief initial periods. Therefore, future biological experiments should account for multiple activity sources, and should measure map interactions rather than maps of single features.

PDF DOI [BibTex]

PDF DOI [BibTex]


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Weighting of experimental evidence in macromolecular structure determination

Habeck, M., Rieping, W., Nilges, M.

Proceedings of the National Academy of Sciences of the United States of America, 103(6):1756-1761, February 2006 (article)

Abstract
The determination of macromolecular structures requires weighting of experimental evidence relative to prior physical information. Although it can critically affect the quality of the calculated structures, experimental data are routinely weighted on an empirical basis. At present, cross-validation is the most rigorous method to determine the best weight. We describe a general method to adaptively weight experimental data in the course of structure calculation. It is further shown that the necessity to define weights for the data can be completely alleviated. We demonstrate the method on a structure calculation from NMR data and find that the resulting structures are optimal in terms of accuracy and structural quality. Our method is devoid of the bias imposed by an empirical choice of the weight and has some advantages over estimating the weight by cross-validation.

Web DOI [BibTex]

Web DOI [BibTex]


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Subspace identification through blind source separation

Grosse-Wentrup, M., Buss, M.

IEEE Signal Processing Letters, 13(2):100-103, February 2006 (article)

Abstract
Given a linear and instantaneous mixture model, we prove that for blind source separation (BSS) algorithms based on mutual information, only sources with non-Gaussian distribution are consistently reconstructed independent of initial conditions. This allows the identification of non-Gaussian sources and consequently the identification of signal and noise subspaces through BSS. The results are illustrated with a simple example, and the implications for a variety of signal processing applications, such as denoising and model identification, are discussed.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Classification of Faces in Man and Machine

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

Neural Computation, 18(1):143-165, January 2006 (article)

PDF Web [BibTex]

PDF Web [BibTex]


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Dimension Reduction as a Deflation Method in ICA

Zhang, K., Chan, L.

IEEE Signal Processing Letters, 13(1):45-48, 2006 (article)

Web [BibTex]

Web [BibTex]


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Symbol Recognition with Kernel Density Matching

Zhang, W., Wenyin, L., Zhang, K.

IEEE Transactions on Pattern Analysis and Machine Intelligence, 28(12):2020-2024, 2006 (article)

Abstract
We propose a novel approach to similarity assessment for graphic symbols. Symbols are represented as 2D kernel densities and their similarity is measured by the Kullback-Leibler divergence. Symbol orientation is found by gradient-based angle searching or independent component analysis. Experimental results show the outstanding performance of this approach in various situations.

Web [BibTex]

Web [BibTex]


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An adaptive method for subband decomposition ICA

Zhang, K., Chan, L.

Neural Computation, 18(1):191-223, 2006 (article)

Abstract
Subband decomposition ICA (SDICA), an extension of ICA, assumes that each source is represented as the sum of some independent subcomponents and dependent subcomponents, which have different frequency bands. In this article, we first investigate the feasibility of separating the SDICA mixture in an adaptive manner. Second, we develop an adaptive method for SDICA, namely band-selective ICA (BS-ICA), which finds the mixing matrix and the estimate of the source independent subcomponents. This method is based on the minimization of the mutual information between outputs. Some practical issues are discussed. For better applicability, a scheme to avoid the high-dimensional score function difference is given. Third, we investigate one form of the overcomplete ICA problems with sources having specific frequency characteristics, which BS-ICA can also be used to solve. Experimental results illustrate the success of the proposed method for solving both SDICA and the over-complete ICA problems.

Web DOI [BibTex]

Web DOI [BibTex]

2004


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On the representation, learning and transfer of spatio-temporal movement characteristics

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

International Journal of Humanoid Robotics, 1(4):613-636, December 2004 (article)

[BibTex]

2004

[BibTex]


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Insect-inspired estimation of egomotion

Franz, MO., Chahl, JS., Krapp, HG.

Neural Computation, 16(11):2245-2260, November 2004 (article)

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

PDF PostScript Web DOI [BibTex]

PDF PostScript Web DOI [BibTex]


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Efficient face detection by a cascaded support-vector machine expansion

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

Proceedings of The Royal Society of London A, 460(2501):3283-3297, A, November 2004 (article)

Abstract
We describe a fast system for the detection and localization of human faces in images using a nonlinear ‘support-vector machine‘. We approximate the decision surface in terms of a reduced set of expansion vectors and propose a cascaded evaluation which has the property that the full support-vector expansion is only evaluated on the face-like parts of the image, while the largest part of typical images is classified using a single expansion vector (a simpler and more efficient classifier). As a result, only three reduced-set vectors are used, on average, to classify an image patch. Hence, the cascaded evaluation, presented in this paper, offers a thirtyfold speed-up over an evaluation using the full set of reduced-set vectors, which is itself already thirty times faster than classification using all the support vectors.

PDF DOI [BibTex]

PDF DOI [BibTex]


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Discrete vs. Continuous: Two Sides of Machine Learning

Zhou, D.

October 2004 (talk)

Abstract
We consider the problem of transductive inference. In many real-world problems, unlabeled data is far easier to obtain than labeled data. Hence transductive inference is very significant in many practical problems. According to Vapnik's point of view, one should predict the function value only on the given points directly rather than a function defined on the whole space, the latter being a more complicated problem. Inspired by this idea, we develop discrete calculus on finite discrete spaces, and then build discrete regularization. A family of transductive algorithms is naturally derived from this regularization framework. We validate the algorithms on both synthetic and real-world data from text/web categorization to bioinformatics problems. A significant by-product of this work is a powerful way of ranking data based on examples including images, documents, proteins and many other kinds of data. This talk is mainly based on the followiing contribution: (1) D. Zhou and B. Sch{\"o}lkopf: Transductive Inference with Graphs, MPI Technical report, August, 2004; (2) D. Zhou, B. Sch{\"o}lkopf and T. Hofmann. Semi-supervised Learning on Directed Graphs. NIPS 2004; (3) D. Zhou, O. Bousquet, T.N. Lal, J. Weston and B. Sch{\"o}lkopf. Learning with Local and Global Consistency. NIPS 2003.

PDF [BibTex]


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Grundlagen von Support Vector Maschinen und Anwendungen in der Bildverarbeitung

Eichhorn, J.

September 2004 (talk)

Abstract
Invited talk at the workshop "Numerical, Statistical and Discrete Methods in Image Processing" at the TU M{\"u}nchen (in GERMAN)

PDF [BibTex]


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Learning kernels from biological networks by maximizing entropy

Tsuda, K., Noble, W.

Bioinformatics, 20(Suppl. 1):i326-i333, August 2004 (article)

Abstract
Motivation: The diffusion kernel is a general method for computing pairwise distances among all nodes in a graph, based on the sum of weighted paths between each pair of nodes. This technique has been used successfully, in conjunction with kernel-based learning methods, to draw inferences from several types of biological networks. Results: We show that computing the diffusion kernel is equivalent to maximizing the von Neumann entropy, subject to a global constraint on the sum of the Euclidean distances between nodes. This global constraint allows for high variance in the pairwise distances. Accordingly, we propose an alternative, locally constrained diffusion kernel, and we demonstrate that the resulting kernel allows for more accurate support vector machine prediction of protein functional classifications from metabolic and protein–protein interaction networks.

PDF Web [BibTex]

PDF Web [BibTex]


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The benefit of liquid Helium cooling for Cryo-Electron Tomography: A quantitative comparative study

Schweikert, G., Luecken, U., Pfeifer, G., Baumeister, W., Plitzko, J.

The thirteenth European Microscopy Congress, August 2004 (talk)

[BibTex]

[BibTex]


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Masking effect produced by Mach bands on the detection of narrow bars of random polarity

Henning, GB., Hoddinott, KT., Wilson-Smith, ZJ., Hill, NJ.

Journal of the Optical Society of America, 21(8):1379-1387, A, August 2004 (article)

[BibTex]

[BibTex]


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Riemannian Geometry on Graphs and its Application to Ranking and Classification

Zhou, D.

June 2004 (talk)

Abstract
We consider the problem of transductive inference. In many real-world problems, unlabeled data is far easier to obtain than labeled data. Hence transductive inference is very significant in many practical problems. According to Vapnik's point of view, one should predict the function value only on the given points directly rather than a function defined on the whole space, the latter being a more complicated problem. Inspired by this idea, we develop discrete calculus on finite discrete spaces, and then build discrete regularization. A family of transductive algorithms is naturally derived from this regularization framework. We validate the algorithms on both synthetic and real-world data from text/web categorization to bioinformatics problems. A significant by-product of this work is a powerful way of ranking data based on examples including images, documents, proteins and many other kinds of data.

PDF [BibTex]


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Support Vector Channel Selection in BCI

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

IEEE Transactions on Biomedical Engineering, 51(6):1003-1010, June 2004 (article)

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 and Zero-Norm Optimization which are based on the training of Support Vector Machines (SVM). These algorithms can provide more accurate solutions than standard filter methods for feature selection. 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.

DOI [BibTex]

DOI [BibTex]


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Distance-Based Classification with Lipschitz Functions

von Luxburg, U., Bousquet, O.

Journal of Machine Learning Research, 5, pages: 669-695, June 2004 (article)

Abstract
The goal of this article is to develop a framework for large margin classification in metric spaces. We want to find a generalization of linear decision functions for metric spaces and define a corresponding notion of margin such that the decision function separates the training points with a large margin. It will turn out that using Lipschitz functions as decision functions, the inverse of the Lipschitz constant can be interpreted as the size of a margin. In order to construct a clean mathematical setup we isometrically embed the given metric space into a Banach space and the space of Lipschitz functions into its dual space. To analyze the resulting algorithm, we prove several representer theorems. They state that there always exist solutions of the Lipschitz classifier which can be expressed in terms of distance functions to training points. We provide generalization bounds for Lipschitz classifiers in terms of the Rademacher complexities of some Lipschitz function classes. The generality of our approach can be seen from the fact that several well-known algorithms are special cases of the Lipschitz classifier, among them the support vector machine, the linear programming machine, and the 1-nearest neighbor classifier.

PDF PostScript PDF [BibTex]

PDF PostScript PDF [BibTex]


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cDNA-Microarray Technology in Cartilage Research - Functional Genomics of Osteoarthritis [in German]

Aigner, T., Finger, F., Zien, A., Bartnik, E.

Zeitschrift f{\"u}r Orthop{\"a}die und ihre Grenzgebiete, 142(2):241-247, April 2004 (article)

Abstract
Functional genomics represents a new challenging approach in order to analyze complex diseases such as osteoarthritis on a molecular level. The characterization of the molecular changes of the cartilage cells, the chondrocytes, enables a better understanding of the pathomechanisms of the disease. In particular, the identification and characterization of new target molecules for therapeutic intervention is of interest. Also, potential molecular markers for diagnosis and monitoring of osteoarthritis contribute to a more appropriate patient management. The DNA-microarray technology complements (but does not replace) biochemical and biological research in new disease-relevant genes. Large-scale functional genomics will identify molecular networks such as yet identified players in the anabolic-catabolic balance of articular cartilage as well as disease-relevant intracellular signaling cascades so far rather unknown in articular chondrocytes. However, at the moment it is also important to recognize the limitations of the microarray technology in order to avoid over-interpretation of the results. This might lead to misleading results and prevent to a significant extent a proper use of the potential of this technology in the field of osteoarthritis.

[BibTex]

[BibTex]


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A Compression Approach to Support Vector Model Selection

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

Journal of Machine Learning Research, 5, pages: 293-323, April 2004 (article)

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 a code built from the separating hyperplane. The main idea is to relate the coding precision to geometrical concepts such as the width of the margin or the shape of the data in the feature space. The so derived compression coefficients combine well known quantities such as the radius-margin term 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 benchmark data sets. As a result we found that compression coefficients can fairly accurately predict the parameters for which the test error is minimized.

PDF [BibTex]

PDF [BibTex]


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Injecting noise for analysing the stability of ICA components

Harmeling, S., Meinecke, F., Müller, K.

Signal Processing, 84(2):255-266, February 2004 (article)

Abstract
Usually, noise is considered to be destructive. We present a new method that constructively injects noise to assess the reliability and the grouping structure of empirical ICA component estimates. Our method can be viewed as a Monte-Carlo-style approximation of the curvature of some performance measure at the solution. Simulations show that the true root-mean-squared angle distances between the real sources and the source estimates can be approximated well by our method. In a toy experiment, we see that we are also able to reveal the underlying grouping structure of the extracted ICA components. Furthermore, an experiment with fetal ECG data demonstrates that our approach is useful for exploratory data analysis of real-world data.

PDF DOI [BibTex]

PDF DOI [BibTex]


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Independent component analysis and beyond

Oja, E., Harmeling, S., Almeida, L.

Signal Processing, 84(2):215-216, February 2004 (article)

PDF DOI [BibTex]

PDF DOI [BibTex]


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Learning from Labeled and Unlabeled Data: Semi-supervised Learning and Ranking

Zhou, D.

January 2004 (talk)

Abstract
We consider the general problem of learning from labeled and unlabeled data, which is often called semi-supervised learning or transductive inference. A principled approach to semi-supervised learning is to design a classifying function which is sufficiently smooth with respect to the intrinsic structure collectively revealed by 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.

PDF [BibTex]


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Experimentally optimal v in support vector regression for different noise models and parameter settings

Chalimourda, A., Schölkopf, B., Smola, A.

Neural Networks, 17(1):127-141, January 2004 (article)

Abstract
In Support Vector (SV) regression, a parameter ν controls the number of Support Vectors and the number of points that come to lie outside of the so-called var epsilon-insensitive tube. For various noise models and SV parameter settings, we experimentally determine the values of ν that lead to the lowest generalization error. We find good agreement with the values that had previously been predicted by a theoretical argument based on the asymptotic efficiency of a simplified model of SV regression. As a side effect of the experiments, valuable information about the generalization behavior of the remaining SVM parameters and their dependencies is gained. The experimental findings are valid even for complex ‘real-world’ data sets. Based on our results on the role of the ν-SVM parameters, we discuss various model selection methods.

PDF DOI [BibTex]

PDF DOI [BibTex]


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Introduction to Category Theory

Bousquet, O.

Internal Seminar, January 2004 (talk)

Abstract
A brief introduction to the general idea behind category theory with some basic definitions and examples. A perspective on higher dimensional categories is given.

PDF [BibTex]

PDF [BibTex]


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Constant infusion H215O PET and acetazolamide challenge in the assessment of the cerebral perfusion status

Weber, B., Westera, G., Treyer, V., Burger, C., Kahn, N., Buck, A.

Journal of Nuclear Medicine, (45):1344-1349, 2004 (article)

[BibTex]

[BibTex]


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Protein ranking: from local to global structure in the protein similarity network

Weston, J., Elisseeff, A., Zhou, D., Leslie, C., Noble, W.

Proceedings of the National Academy of Science, 101(17):6559-6563, 2004 (article)

Abstract
Biologists regularly search databases of DNA or protein sequences for evolutionary or functional relationships to a given query sequence. We describe a ranking algorithm that exploits the entire network structure of similarity relationships among proteins in a sequence database by performing a diffusion operation on a pre-computed, weighted network. The resulting ranking algorithm, evaluated using a human-curated database of protein structures, is efficient and provides significantly better rankings than a local network search algorithm such as PSI-BLAST.

Web [BibTex]

Web [BibTex]


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Asymptotic Properties of the Fisher Kernel

Tsuda, K., Akaho, S., Kawanabe, M., Müller, K.

Neural Computation, 16(1):115-137, 2004 (article)

PDF [BibTex]

PDF [BibTex]


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Some observations on the effects of slant and texture type on slant-from-texture

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

Vision Research, 44(13):1511-1535, 2004 (article)

Abstract
We measure the performance of five subjects in a slant-discrimination task for differently textured planes. As textures we used uniform lattices, randomly displaced lattices, circles (polka dots), Voronoi tessellations, plaids, 1/f noise, “coherent” noise and a leopard skin-like texture. Our results show: (1) Improving performance with larger slants for all textures. (2) Thus, following from (1), cases of “non-symmetrical” performance around a particular orientation. (3) For orientations sufficiently slanted, the different textures do not elicit major differences in performance, (4) while for orientations closer to the vertical plane there are marked differences between them. (5) These differences allow a rank-order of textures to be formed according to their “helpfulness”– that is, how easy the discrimination task is when a particular texture is mapped on the plane. Polka dots tend to allow the best slant discrimination performance, noise patterns the worst. Two additional experiments were conducted to test the generality of the obtained rank-order. First, the tilt of the planes was rotated to break the axis of gravity present in the original discrimination experiment. Second, the task was changed to a slant report task via probe adjustment. The results of both control experiments confirmed the texture-based rank-order previously obtained. We comment on the importance of these results for depth perception research in general, and in particular the implications our results have for studies of cue combination (sensor fusion) using texture as one of the cues involved.

PDF [BibTex]

PDF [BibTex]


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Protein homology detection using string alignment kernels

Saigo, H., Vert, J., Ueda, N., Akutsu, T.

Bioinformatics, 20(11):1682-1689, 2004 (article)

Abstract
Remote homology detection between protein sequences is a central problem in computational biology. Discriminative methods involving support vector machines (SVM) are currently the most effective methods for the problem of superfamily recognition in the SCOP database. The performance of SVMs depend critically on the kernel function used to quantify the similarity between sequences. We propose new kernels for strings adapted to biological sequences, which we call local alignment kernels. These kernels measure the similarity between two sequences by summing up scores obtained from local alignments with gaps of the sequences. When tested in combination with SVM on their ability to recognize SCOP superfamilies on a benchmark dataset, the new kernels outperform state-of-the art methods for remote homology detection.

Web DOI [BibTex]

Web DOI [BibTex]


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Minimizing the Cross Validation Error to Mix Kernel Matrices of Heterogeneous Biological Data

Tsuda, K., Uda, S., Kin, T., Asai, K.

Neural Processing Letters, 19, pages: 63-72, 2004 (article)

PDF [BibTex]

PDF [BibTex]


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A Tutorial on Support Vector Regression

Smola, A., Schölkopf, B.

Statistics and Computing, 14(3):199-222, 2004 (article)

Web [BibTex]

Web [BibTex]


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Bayesian analysis of the Scatterometer Wind Retrieval Inverse Problem: Some New Approaches

Cornford, D., Csato, L., Evans, D., Opper, M.

Journal of the Royal Statistical Society B, 66, pages: 1-17, 3, 2004 (article)

Abstract
The retrieval of wind vectors from satellite scatterometer observations is a non-linear inverse problem.A common approach to solving inverse problems is to adopt a Bayesian framework and to infer the posterior distribution of the parameters of interest given the observations by using a likelihood model relating the observations to the parameters, and a prior distribution over the parameters.We show how Gaussian process priors can be used efficiently with a variety of likelihood models, using local forward (observation) models and direct inverse models for the scatterometer.We present an enhanced Markov chain Monte Carlo method to sample from the resulting multimodal posterior distribution.We go on to show how the computational complexity of the inference can be controlled by using a sparse, sequential Bayes algorithm for estimation with Gaussian processes.This helps to overcome the most serious barrier to the use of probabilistic, Gaussian process methods in remote sensing inverse problems, which is the prohibitively large size of the data sets.We contrast the sampling results with the approximations that are found by using the sparse, sequential Bayes algorithm.

PDF [BibTex]

PDF [BibTex]


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Feature Selection for Support Vector Machines Using Genetic Algorithms

Fröhlich, H., Chapelle, O., Schölkopf, B.

International Journal on Artificial Intelligence Tools (Special Issue on Selected Papers from the 15th IEEE International Conference on Tools with Artificial Intelligence 2003), 13(4):791-800, 2004 (article)

Web [BibTex]

Web [BibTex]


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Optical Imaging of the Spatiotemporal Dynamics of Cerebral Blood Flow and Oxidative Metabolism in the Rat Barrel Cortex

Weber, B., Burger, C., Wyss, M., von Schulthess, G., Scheffold, F., Buck, A.

European Journal of Neuroscience, 20(10):2664-2670, 2004 (article)

PDF [BibTex]

PDF [BibTex]


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

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

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

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

[BibTex]

[BibTex]


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Kernel Methods and their Potential Use in Signal Processing

Perez-Cruz, F., Bousquet, O.

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

PostScript [BibTex]

PostScript [BibTex]


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Advanced Statistical Learning Theory

Bousquet, O.

Machine Learning Summer School, 2004 (talk)

PDF [BibTex]

PDF [BibTex]

2001


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Anabolic and Catabolic Gene Expression Pattern Analysis in Normal Versus Osteoarthritic Cartilage Using Complementary DNA-Array Technology

Aigner, T., Zien, A., Gehrsitz, A., Gebhard, P., McKenna, L.

Arthritis and Rheumatism, 44(12):2777-2789, December 2001 (article)

Web [BibTex]

2001

Web [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.

IEEE Transactions on Information Theory, 47(6):2516-2532, September 2001 (article)

Abstract
We derive new bounds for the generalization error of kernel machines, such as support vector machines and related regularization networks by obtaining new bounds on their covering numbers. The proofs make use of a viewpoint that is apparently novel in the field of statistical learning theory. The hypothesis class is described in terms of a linear operator mapping from a possibly infinite-dimensional unit ball in feature space into a finite-dimensional space. The covering numbers of the class are then determined via the entropy numbers of the operator. These numbers, which characterize the degree of compactness of the operator can be bounded in terms of the eigenvalues of an integral operator induced by the kernel function used by the machine. As a consequence, we are able to theoretically explain the effect of the choice of kernel function on the generalization performance of support vector machines.

DOI [BibTex]

DOI [BibTex]