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2007


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A Tutorial on Spectral Clustering

von Luxburg, U.

Statistics and Computing, 17(4):395-416, December 2007 (article)

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. On the first glance spectral clustering appears slightly mysterious, and it is not obvious to see why it works at all and what it really does. The goal of this tutorial is to give some intuition on those questions. 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.

ei

PDF PDF DOI [BibTex]

2007


PDF PDF DOI [BibTex]


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A Tutorial on Kernel Methods for Categorization

Jäkel, F., Schölkopf, B., Wichmann, F.

Journal of Mathematical Psychology, 51(6):343-358, December 2007 (article)

Abstract
The abilities to learn and to categorize are fundamental for cognitive systems, be it animals or machines, and therefore have attracted attention from engineers and psychologists alike. Modern machine learning methods and psychological models of categorization are remarkably similar, partly because these two fields share a common history in artificial neural networks and reinforcement learning. However, machine learning is now an independent and mature field that has moved beyond psychologically or neurally inspired algorithms towards providing foundations for a theory of learning that is rooted in statistics and functional analysis. Much of this research is potentially interesting for psychological theories of learning and categorization but also hardly accessible for psychologists. Here, we provide a tutorial introduction to a popular class of machine learning tools, called kernel methods. These methods are closely related to perceptrons, radial-basis-function neural networks and exemplar theories of catego rization. Recent theoretical advances in machine learning are closely tied to the idea that the similarity of patterns can be encapsulated in a positive definite kernel. Such a positive definite kernel can define a reproducing kernel Hilbert space which allows one to use powerful tools from functional analysis for the analysis of learning algorithms. We give basic explanations of some key concepts—the so-called kernel trick, the representer theorem and regularization—which may open up the possibility that insights from machine learning can feed back into psychology.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Accurate Splice site Prediction Using Support Vector Machines

Sonnenburg, S., Schweikert, G., Philips, P., Behr, J., Rätsch, G.

BMC Bioinformatics, 8(Supplement 10):1-16, December 2007 (article)

Abstract
Background: For splice site recognition, one has to solve two classification problems: discriminating true from decoy splice sites for both acceptor and donor sites. Gene finding systems typically rely on Markov Chains to solve these tasks. Results: In this work we consider Support Vector Machines for splice site recognition. We employ the so-called weighted degree kernel which turns out well suited for this task, as we will illustrate in several experiments where we compare its prediction accuracy with that of recently proposed systems. We apply our method to the genome-wide recognition of splice sites in Caenorhabditis elegans, Drosophila melanogaster, Arabidopsis thaliana, Danio rerio, and Homo sapiens. Our performance estimates indicate that splice sites can be recognized very accurately in these genomes and that our method outperforms many other methods including Markov Chains, GeneSplicer and SpliceMachine. We provide genome-wide predictions of splice sites and a stand-alone prediction tool ready to be used for incorporation in a gene finder. Availability: Data, splits, additional information on the model selection, the whole genome predictions, as well as the stand-alone prediction tool are available for download at http:// www.fml.mpg.de/raetsch/projects/splice.

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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A unifying framework for robot control with redundant DOFs

Peters, J., Mistry, M., Udwadia, F., Nakanishi, J., Schaal, S.

Autonomous Robots, 24(1):1-12, October 2007 (article)

Abstract
Recently, Udwadia (Proc. R. Soc. Lond. A 2003:1783–1800, 2003) suggested to derive tracking controllers for mechanical systems with redundant degrees-of-freedom (DOFs) using a generalization of Gauss’ principle of least constraint. This method allows reformulating control problems as a special class of optimal controllers. In this paper, we take this line of reasoning one step further and demonstrate that several well-known and also novel nonlinear robot control laws can be derived from this generic methodology. We show experimental verifications on a Sarcos Master Arm robot for some of the derived controllers. The suggested approach offers a promising unification and simplification of nonlinear control law design for robots obeying rigid body dynamics equations, both with or without external constraints, with over-actuation or underactuation, as well as open-chain and closed-chain kinematics.

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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The Need for Open Source Software in Machine Learning

Sonnenburg, S., Braun, M., Ong, C., Bengio, S., Bottou, L., Holmes, G., LeCun, Y., Müller, K., Pereira, F., Rasmussen, C., Rätsch, G., Schölkopf, B., Smola, A., Vincent, P., Weston, J., Williamson, R.

Journal of Machine Learning Research, 8, pages: 2443-2466, October 2007 (article)

Abstract
Open source tools have recently reached a level of maturity which makes them suitable for building large-scale real-world systems. At the same time, the field of machine learning has developed a large body of powerful learning algorithms for diverse applications. However, the true potential of these methods is not realized, since existing implementations are not openly shared, resulting in software with low usability, and weak interoperability. We argue that this situation can be significantly improved by increasing incentives for researchers to publish their software under an open source model. Additionally, we outline the problems authors are faced with when trying to publish algorithmic implementations of machine learning methods. We believe that a resource of peer reviewed software accompanied by short articles would be highly valuable to both the machine learning and the general scientific community.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Some observations on the masking effects of Mach bands

Curnow, T., Cowie, DA., Henning, GB., Hill, NJ.

Journal of the Optical Society of America A, 24(10):3233-3241, October 2007 (article)

Abstract
There are 8 cycle / deg ripples or oscillations in performance as a function of location near Mach bands in experiments measuring Mach bands’ masking effects on random polarity signal bars. The oscillations with increments are 180 degrees out of phase with those for decrements. The oscillations, much larger than the measurement error, appear to relate to the weighting function of the spatial-frequency-tuned channel detecting the broad- band signals. The ripples disappear with step maskers and become much smaller at durations below 25 ms, implying either that the site of masking has changed or that the weighting function and hence spatial-frequency tuning is slow to develop.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Support Vector Machine Learning for Interdependent and Structured Output Spaces

Altun, Y., Hofmann, T., Tsochantaridis, I.

In Predicting Structured Data, pages: 85-104, Advances in neural information processing systems, (Editors: Bakir, G. H. , T. Hofmann, B. Schölkopf, A. J. Smola, B. Taskar, S. V. N. Vishwanathan), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

ei

Web [BibTex]

Web [BibTex]


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Brisk Kernel ICA

Jegelka, S., Gretton, A.

In Large Scale Kernel Machines, pages: 225-250, Neural Information Processing, (Editors: Bottou, L. , O. Chapelle, D. DeCoste, J. Weston), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

Abstract
Recent approaches to independent component analysis have used kernel independence measures to obtain very good performance in ICA, particularly in areas where classical methods experience difficulty (for instance, sources with near-zero kurtosis). In this chapter, we compare two efficient extensions of these methods for large-scale problems: random subsampling of entries in the Gram matrices used in defining the independence measures, and incomplete Cholesky decomposition of these matrices. We derive closed-form, efficiently computable approximations for the gradients of these measures, and compare their performance on ICA using both artificial and music data. We show that kernel ICA can scale up to much larger problems than yet attempted, and that incomplete Cholesky decomposition performs better than random sampling.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Mining complex genotypic features for predicting HIV-1 drug resistance

Saigo, H., Uno, T., Tsuda, K.

Bioinformatics, 23(18):2455-2462, September 2007 (article)

Abstract
Human immunodeficiency virus type 1 (HIV-1) evolves in human body, and its exposure to a drug often causes mutations that enhance the resistance against the drug. To design an effective pharmacotherapy for an individual patient, it is important to accurately predict the drug resistance based on genotype data. Notably, the resistance is not just the simple sum of the effects of all mutations. Structural biological studies suggest that the association of mutations is crucial: Even if mutations A or B alone do not affect the resistance, a significant change might happen when the two mutations occur together. Linear regression methods cannot take the associations into account, while decision tree methods can reveal only limited associations. Kernel methods and neural networks implicitly use all possible associations for prediction, but cannot select salient associations explicitly. Our method, itemset boosting, performs linear regression in the complete space of power sets of mutations. It implements a forward feature selection procedure where, in each iteration, one mutation combination is found by an efficient branch-and-bound search. This method uses all possible combinations, and salient associations are explicitly shown. In experiments, our method worked particularly well for predicting the resistance of nucleotide reverse transcriptase inhibitors (NRTIs). Furthermore, it successfully recovered many mutation associations known in biological literature.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Training a Support Vector Machine in the Primal

Chapelle, O.

In Large Scale Kernel Machines, pages: 29-50, Neural Information Processing, (Editors: Bottou, L. , O. Chapelle, D. DeCoste, J. Weston), MIT Press, Cambridge, MA, USA, September 2007, This is a slightly updated version of the Neural Computation paper (inbook)

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 that there is no reason to ignore this possibility. On the contrary, from the primal point of view new families of algorithms for large scale SVM training can be investigated.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Approximation Methods for Gaussian Process Regression

Quiñonero-Candela, J., Rasmussen, CE., Williams, CKI.

In Large-Scale Kernel Machines, pages: 203-223, Neural Information Processing, (Editors: Bottou, L. , O. Chapelle, D. DeCoste, J. Weston), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

Abstract
A wealth of computationally efficient approximation methods for Gaussian process regression have been recently proposed. We give a unifying overview of sparse approximations, following Quiñonero-Candela and Rasmussen (2005), and a brief review of approximate matrix-vector multiplication methods.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Advances in Neural Information Processing Systems 19: Proceedings of the 2006 Conference

Schölkopf, B., Platt, J., Hofmann, T.

Proceedings of the Twentieth Annual Conference on Neural Information Processing Systems (NIPS 2006), pages: 1690, MIT Press, Cambridge, MA, USA, 20th Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (proceedings)

Abstract
The annual Neural Information Processing Systems (NIPS) conference is the flagship meeting on neural computation and machine learning. It draws a diverse group of attendees--physicists, neuroscientists, mathematicians, statisticians, and computer scientists--interested in theoretical and applied aspects of modeling, simulating, and building neural-like or intelligent systems. The presentations are interdisciplinary, with contributions in algorithms, learning theory, cognitive science, neuroscience, brain imaging, vision, speech and signal processing, reinforcement learning, and applications. Only twenty-five percent of the papers submitted are accepted for presentation at NIPS, so the quality is exceptionally high. This volume contains the papers presented at the December 2006 meeting, held in Vancouver.

ei

Web [BibTex]

Web [BibTex]


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Trading Convexity for Scalability

Collobert, R., Sinz, F., Weston, J., Bottou, L.

In Large Scale Kernel Machines, pages: 275-300, Neural Information Processing, (Editors: Bottou, L. , O. Chapelle, D. DeCoste, J. Weston), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

Abstract
Convex learning algorithms, such as Support Vector Machines (SVMs), are often seen as highly desirable because they offer strong practical properties and are amenable to theoretical analysis. However, in this work we show how nonconvexity can provide scalability advantages over convexity. We show how concave-convex programming can be applied to produce (i) faster SVMs where training errors are no longer support vectors, and (ii) much faster Transductive SVMs.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Real-Time Fetal Heart Monitoring in Biomagnetic Measurements Using Adaptive Real-Time ICA

Waldert, S., Bensch, M., Bogdan, M., Rosenstiel, W., Schölkopf, B., Lowery, C., Eswaran, H., Preissl, H.

IEEE Transactions on Biomedical Engineering, 54(10):1867-1874, September 2007 (article)

Abstract
Electrophysiological signals of the developing fetal brain and heart can be investigated by fetal magnetoencephalography (fMEG). During such investigations, the fetal heart activity and that of the mother should be monitored continuously to provide an important indication of current well-being. Due to physical constraints of an fMEG system, it is not possible to use clinically established heart monitors for this purpose. Considering this constraint, we developed a real-time heart monitoring system for biomagnetic measurements and showed its reliability and applicability in research and for clinical examinations. The developed system consists of real-time access to fMEG data, an algorithm based on Independent Component Analysis (ICA), and a graphical user interface (GUI). The algorithm extracts the current fetal and maternal heart signal from a noisy and artifact-contaminated data stream in real-time and is able to adapt automatically to continuously varying environmental parameters. This algorithm has been na med Adaptive Real-time ICA (ARICA) and is applicable to real-time artifact removal as well as to related blind signal separation problems.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Classifying Event-Related Desynchronization in EEG, ECoG and MEG signals

Hill, N., Lal, T., Tangermann, M., Hinterberger, T., Widman, G., Elger, C., Schölkopf, B., Birbaumer, N.

In Toward Brain-Computer Interfacing, pages: 235-260, Neural Information Processing, (Editors: G Dornhege and J del R Millán and T Hinterberger and DJ McFarland and K-R Müller), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Joint Kernel Maps

Weston, J., Bakir, G., Bousquet, O., Mann, T., Noble, W., Schölkopf, B.

In Predicting Structured Data, pages: 67-84, Advances in neural information processing systems, (Editors: GH Bakir and T Hofmann and B Schölkopf and AJ Smola and B Taskar and SVN Vishwanathan), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

ei

Web [BibTex]

Web [BibTex]


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Brain-Computer Interfaces for Communication in Paralysis: A Clinical Experimental Approach

Hinterberger, T., Nijboer, F., Kübler, A., Matuz, T., Furdea, A., Mochty, U., Jordan, M., Lal, T., Hill, J., Mellinger, J., Bensch, M., Tangermann, M., Widman, G., Elger, C., Rosenstiel, W., Schölkopf, B., Birbaumer, N.

In Toward Brain-Computer Interfacing, pages: 43-64, Neural Information Processing, (Editors: G. Dornhege and J del R Millán and T Hinterberger and DJ McFarland and K-R Müller), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Feature Selection for Trouble Shooting in Complex Assembly Lines

Pfingsten, T., Herrmann, D., Schnitzler, T., Feustel, A., Schölkopf, B.

IEEE Transactions on Automation Science and Engineering, 4(3):465-469, July 2007 (article)

Abstract
The final properties of sophisticated products can be affected by many unapparent dependencies within the manufacturing process, and the products’ integrity can often only be checked in a final measurement. Troubleshooting can therefore be very tedious if not impossible in large assembly lines. In this paper we show that Feature Selection is an efficient tool for serial-grouped lines to reveal causes for irregularities in product attributes. We compare the performance of several methods for Feature Selection on real-world problems in mass-production of semiconductor devices. Note to Practitioners— We present a data based procedure to localize flaws in large production lines: using the results of final quality inspections and information about which machines processed which batches, we are able to identify machines which cause low yield.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Gene selection via the BAHSIC family of algorithms

Song, L., Bedo, J., Borgwardt, K., Gretton, A., Smola, A.

Bioinformatics, 23(13: ISMB/ECCB 2007 Conference Proceedings):i490-i498, July 2007 (article)

Abstract
Motivation: Identifying significant genes among thousands of sequences on a microarray is a central challenge for cancer research in bioinformatics. The ultimate goal is to detect the genes that are involved in disease outbreak and progression. A multitude of methods have been proposed for this task of feature selection, yet the selected gene lists differ greatly between different methods. To accomplish biologically meaningful gene selection from microarray data, we have to understand the theoretical connections and the differences between these methods. In this article, we define a kernel-based framework for feature selection based on the Hilbert–Schmidt independence criterion and backward elimination, called BAHSIC. We show that several well-known feature selectors are instances of BAHSIC, thereby clarifying their relationship. Furthermore, by choosing a different kernel, BAHSIC allows us to easily define novel feature selection algorithms. As a further advantage, feature selection via BAHSIC works directly on multiclass problems. Results: In a broad experimental evaluation, the members of the BAHSIC family reach high levels of accuracy and robustness when compared to other feature selection techniques. Experiments show that features selected with a linear kernel provide the best classification performance in general, but if strong non-linearities are present in the data then non-linear kernels can be more suitable.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Phenotyping of Chondrocytes In Vivo and In Vitro Using cDNA Array Technology

Zien, A., Gebhard, P., Fundel, K., Aigner, T.

Clinical Orthopaedics and Related Research, 460, pages: 226-233, July 2007 (article)

Abstract
The cDNA array technology is a powerful tool to analyze a high number of genes in parallel. We investigated whether large-scale gene expression analysis allows clustering and identification of cellular phenotypes of chondrocytes in different in vivo and in vitro conditions. In 100% of cases, clustering analysis distinguished between in vivo and in vitro samples, suggesting fundamental differences in chondrocytes in situ and in vitro regardless of the culture conditions or disease status. It also allowed us to differentiate between healthy and osteoarthritic cartilage. The clustering also revealed the relative importance of the investigated culturing conditions (stimulation agent, stimulation time, bead/monolayer). We augmented the cluster analysis with a statistical search for genes showing differential expression. The identified genes provided hints to the molecular basis of the differences between the sample classes. Our approach shows the power of modern bioinformatic algorithms for understanding and class ifying chondrocytic phenotypes in vivo and in vitro. Although it does not generate new experimental data per se, it provides valuable information regarding the biology of chondrocytes and may provide tools for diagnosing and staging the osteoarthritic disease process.

ei

DOI [BibTex]

DOI [BibTex]


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Common Sequence Polymorphisms Shaping Genetic Diversity in Arabidopsis thaliana

Clark, R., Schweikert, G., Toomajian, C., Ossowski, S., Zeller, G., Shinn, P., Warthmann, N., Hu, T., Fu, G., Hinds, D., Chen, H., Frazer, K., Huson, D., Schölkopf, B., Nordborg, M., Rätsch, G., Ecker, J., Weigel, D.

Science, 317(5836):338-342, July 2007 (article)

Abstract
The genomes of individuals from the same species vary in sequence as a result of different evolutionary processes. To examine the patterns of, and the forces shaping, sequence variation in Arabidopsis thaliana, we performed high-density array resequencing of 20 diverse strains (accessions). More than 1 million nonredundant single-nucleotide polymorphisms (SNPs) were identified at moderate false discovery rates (FDRs), and ~4% of the genome was identified as being highly dissimilar or deleted relative to the reference genome sequence. Patterns of polymorphism are highly nonrandom among gene families, with genes mediating interaction with the biotic environment having exceptional polymorphism levels. At the chromosomal scale, regional variation in polymorphism was readily apparent. A scan for recent selective sweeps revealed several candidate regions, including a notable example in which almost all variation was removed in a 500-kilobase window. Analyzing the polymorphisms we describe in larger sets of accessions will enable a detailed understanding of forces shaping population-wide sequence variation in A. thaliana.

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Graph Laplacians and their Convergence on Random Neighborhood Graphs

Hein, M., Audibert, J., von Luxburg, U.

Journal of Machine Learning Research, 8, pages: 1325-1370, June 2007 (article)

Abstract
Given a sample from a probability measure with support on a submanifold in Euclidean space one can construct a neighborhood graph which can be seen as an approximation of the submanifold. The graph Laplacian of such a graph is used in several machine learning methods like semi-supervised learning, dimensionality reduction and clustering. In this paper we determine the pointwise limit of three different graph Laplacians used in the literature as the sample size increases and the neighborhood size approaches zero. We show that for a uniform measure on the submanifold all graph Laplacians have the same limit up to constants. However in the case of a non-uniform measure on the submanifold only the so called random walk graph Laplacian converges to the weighted Laplace-Beltrami operator.

ei

PDF PDF [BibTex]

PDF PDF [BibTex]


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Bayesian Reconstruction of the Density of States

Habeck, M.

Physical Review Letters, 98(20, 200601):1-4, May 2007 (article)

Abstract
A Bayesian framework is developed to reconstruct the density of states from multiple canonical simulations. The framework encompasses the histogram reweighting method of Ferrenberg and Swendsen. The new approach applies to nonparametric as well as parametric models and does not require simulation data to be discretized. It offers a means to assess the precision of the reconstructed density of states and of derived thermodynamic quantities.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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PALMA: mRNA to Genome Alignments using Large Margin Algorithms

Schulze, U., Hepp, B., Ong, C., Rätsch, G.

Bioinformatics, 23(15):1892-1900, May 2007 (article)

Abstract
Motivation: Despite many years of research on how to properly align sequences in the presence of sequencing errors, alternative splicing and micro-exons, the correct alignment of mRNA sequences to genomic DNA is still a challenging task. Results: We present a novel approach based on large margin learning that combines accurate plice site predictions with common sequence alignment techniques. By solving a convex optimization problem, our algorithm – called PALMA – tunes the parameters of the model such that true alignments score higher than other alignments. We study the accuracy of alignments of mRNAs containing artificially generated micro-exons to genomic DNA. In a carefully designed experiment, we show that our algorithm accurately identifies the intron boundaries as well as boundaries of the optimal local alignment. It outperforms all other methods: for 5702 artificially shortened EST sequences from C. elegans and human it correctly identifies the intron boundaries in all except two cases. The best other method is a recently proposed method called exalin which misaligns 37 of the sequences. Our method also demonstrates robustness to mutations, insertions and deletions, retaining accuracy even at high noise levels. Availability: Datasets for training, evaluation and testing, additional results and a stand-alone alignment tool implemented in C++ and python are available at http://www.fml.mpg.de/raetsch/projects/palma.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Probabilistic Structure Calculation

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

In Structure and Biophysics: New Technologies for Current Challenges in Biology and Beyond, pages: 81-98, NATO Security through Science Series, (Editors: Puglisi, J. D.), Springer, Berlin, Germany, March 2007 (inbook)

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Training a Support Vector Machine in the Primal

Chapelle, O.

Neural Computation, 19(5):1155-1178, March 2007 (article)

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 that there is no reason for ignoring this possibilty. On the contrary, from the primal point of view new families of algorithms for large scale SVM training can be investigated.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Improving the Caenorhabditis elegans Genome Annotation Using Machine Learning

Rätsch, G., Sonnenburg, S., Srinivasan, J., Witte, H., Müller, K., Sommer, R., Schölkopf, B.

PLoS Computational Biology, 3(2, e20):0313-0322, February 2007 (article)

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Statistical Consistency of Kernel Canonical Correlation Analysis

Fukumizu, K., Bach, F., Gretton, A.

Journal of Machine Learning Research, 8, pages: 361-383, February 2007 (article)

Abstract
While kernel canonical correlation analysis (CCA) has been applied in many contexts, the convergence of finite sample estimates of the associated functions to their population counterparts has not yet been established. This paper gives a mathematical proof of the statistical convergence of kernel CCA, providing a theoretical justification for the method. The proof uses covariance operators defined on reproducing kernel Hilbert spaces, and analyzes the convergence of their empirical estimates of finite rank to their population counterparts, which can have infinite rank. The result also gives a sufficient condition for convergence on the regularization coefficient involved in kernel CCA: this should decrease as n^{-1/3}, where n is the number of data.

ei

PDF [BibTex]

PDF [BibTex]


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On the Pre-Image Problem in Kernel Methods

BakIr, G., Schölkopf, B., Weston, J.

In Kernel Methods in Bioengineering, Signal and Image Processing, pages: 284-302, (Editors: G Camps-Valls and JL Rojo-Álvarez and M Martínez-Ramón), Idea Group Publishing, Hershey, PA, USA, January 2007 (inbook)

Abstract
In this chapter we are concerned with the problem of reconstructing patterns from their representation in feature space, known as the pre-image problem. We review existing algorithms and propose a learning based approach. All algorithms are discussed regarding their usability and complexity and evaluated on an image denoising application.

ei

DOI [BibTex]

DOI [BibTex]


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Some observations on the pedestal effect

Henning, G., Wichmann, F.

Journal of Vision, 7(1:3):1-15, January 2007 (article)

Abstract
The pedestal or dipper effect is the large improvement in the detectability of a sinusoidal grating observed when it is added to a masking or pedestal grating of the same spatial frequency, orientation, and phase. We measured the pedestal effect in both broadband and notched noiseVnoise from which a 1.5-octave band centered on the signal frequency had been removed. Although the pedestal effect persists in broadband noise, it almost disappears in the notched noise. Furthermore, the pedestal effect is substantial when either high- or low-pass masking noise is used. We conclude that the pedestal effect in the absence of notched noise results principally from the use of information derived from channels with peak sensitivities at spatial frequencies different from that of the signal and the pedestal. We speculate that the spatial-frequency components of the notched noise above and below the spatial frequency of the signal and the pedestal prevent ‘‘off-frequency looking,’’ that is, prevent the use of information about changes in contrast carried in channels tuned to spatial frequencies that are very much different from that of the signal and the pedestal. Thus, the pedestal or dipper effect measured without notched noise appears not to be a characteristic of individual spatial-frequency-tuned channels.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Cue Combination and the Effect of Horizontal Disparity and Perspective on Stereoacuity

Zalevski, AM., Henning, GB., Hill, NJ.

Spatial Vision, 20(1):107-138, January 2007 (article)

Abstract
Relative depth judgments of vertical lines based on horizontal disparity deteriorate enormously when the lines form part of closed configurations (Westheimer, 1979). In studies showing this effect, perspective was not manipulated and thus produced inconsistency between horizontal disparity and perspective. We show that stereoacuity improves dramatically when perspective and horizontal disparity are made consistent. Observers appear to use unhelpful perspective cues in judging the relative depth of the vertical sides of rectangles in a way not incompatible with a form of cue weighting. However, 95% confidence intervals for the weights derived for cues usually exceed the a-priori [0-1] range.

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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iCub - The Design and Realization of an Open Humanoid Platform for Cognitive and Neuroscience Research

Tsagarakis, N., Metta, G., Sandini, G., Vernon, D., Beira, R., Becchi, F., Righetti, L., Santos-Victor, J., Ijspeert, A., Carrozza, M., Caldwell, D.

Advanced Robotics, 21(10):1151-1175, 2007 (article)

Abstract
The development of robotic cognition and the advancement of understanding of human cognition form two of the current greatest challenges in robotics and neuroscience, respectively. The RobotCub project aims to develop an embodied robotic child (iCub) with the physical (height 90 cm and mass less than 23 kg) and ultimately cognitive abilities of a 2.5-year-old human child. The iCub will be a freely available open system which can be used by scientists in all cognate disciplines from developmental psychology to epigenetic robotics to enhance understanding of cognitive systems through the study of cognitive development. The iCub will be open both in software, but more importantly in all aspects of the hardware and mechanical design. In this paper the design of the mechanisms and structures forming the basic 'body' of the iCub are described. The papers considers kinematic structures dynamic design criteria, actuator specification and selection, and detailed mechanical and electronic design. The paper concludes with tests of the performance of sample joints, and comparison of these results with the design requirements and simulation projects.

mg

link (url) DOI [BibTex]

link (url) DOI [BibTex]

2006


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Structure validation of the Josephin domain of ataxin-3: Conclusive evidence for an open conformation

Nicastro, G., Habeck, M., Masino, L., Svergun, DI., Pastore, A.

Journal of Biomolecular NMR, 36(4):267-277, December 2006 (article)

Abstract
The availability of new and fast tools in structure determination has led to a more than exponential growth of the number of structures solved per year. It is therefore increasingly essential to assess the accuracy of the new structures by reliable approaches able to assist validation. Here, we discuss a specific example in which the use of different complementary techniques, which include Bayesian methods and small angle scattering, resulted essential for validating the two currently available structures of the Josephin domain of ataxin-3, a protein involved in the ubiquitin/proteasome pathway and responsible for neurodegenerative spinocerebellar ataxia of type 3. Taken together, our results demonstrate that only one of the two structures is compatible with the experimental information. Based on the high precision of our refined structure, we show that Josephin contains an open cleft which could be directly implicated in the interaction with polyubiquitin chains and other partners.

ei

Web DOI [BibTex]

2006


Web DOI [BibTex]


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A Unifying View of Wiener and Volterra Theory and Polynomial Kernel Regression

Franz, M., Schölkopf, B.

Neural Computation, 18(12):3097-3118, December 2006 (article)

Abstract
Volterra and Wiener series are perhaps the best understood nonlinear system representations in signal processing. Although both approaches have enjoyed a certain popularity in the past, their application has been limited to rather low-dimensional and weakly nonlinear systems due to the exponential growth of the number of terms that have to be estimated. We show that Volterra and Wiener series can be represented implicitly as elements of a reproducing kernel Hilbert space by utilizing polynomial kernels. The estimation complexity of the implicit representation is linear in the input dimensionality and independent of the degree of nonlinearity. Experiments show performance advantages in terms of convergence, interpretability, and system sizes that can be handled.

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PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Prediction of Protein Function from Networks

Shin, H., Tsuda, K.

In Semi-Supervised Learning, pages: 361-376, Adaptive Computation and Machine Learning, (Editors: Chapelle, O. , B. Schölkopf, A. Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
In computational biology, it is common to represent domain knowledge using graphs. Frequently there exist multiple graphs for the same set of nodes, representing information from different sources, and no single graph is sufficient to predict class labels of unlabelled nodes reliably. One way to enhance reliability is to integrate multiple graphs, since individual graphs are partly independent and partly complementary to each other for prediction. In this chapter, we describe an algorithm to assign weights to multiple graphs within graph-based semi-supervised learning. Both predicting class labels and searching for weights for combining multiple graphs are formulated into one convex optimization problem. The graph-combining method is applied to functional class prediction of yeast proteins.When compared with individual graphs, the combined graph with optimized weights performs significantly better than any single graph.When compared with the semidefinite programming-based support vector machine (SDP/SVM), it shows comparable accuracy in a remarkably short time. Compared with a combined graph with equal-valued weights, our method could select important graphs without loss of accuracy, which implies the desirable property of integration with selectivity.

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Web [BibTex]

Web [BibTex]


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Discrete Regularization

Zhou, D., Schölkopf, B.

In Semi-supervised Learning, pages: 237-250, Adaptive computation and machine learning, (Editors: O Chapelle and B Schölkopf and A Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
Many real-world machine learning problems are situated on finite discrete sets, including dimensionality reduction, clustering, and transductive inference. A variety of approaches for learning from finite sets has been proposed from different motivations and for different problems. In most of those approaches, a finite set is modeled as a graph, in which the edges encode pairwise relationships among the objects in the set. Consequently many concepts and methods from graph theory are adopted. In particular, the graph Laplacian is widely used. In this chapter we present a systemic framework for learning from a finite set represented as a graph. We develop discrete analogues of a number of differential operators, and then construct a discrete analogue of classical regularization theory based on those discrete differential operators. The graph Laplacian based approaches are special cases of this general discrete regularization framework. An important thing implied in this framework is that we have a wide choices of regularization on graph in addition to the widely-used graph Laplacian based one.

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PDF Web [BibTex]

PDF Web [BibTex]


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Statistical Analysis of Slow Crack Growth Experiments

Pfingsten, T., Glien, K.

Journal of the European Ceramic Society, 26(15):3061-3065, November 2006 (article)

Abstract
A common approach for the determination of Slow Crack Growth (SCG) parameters are the static and dynamic loading method. Since materials with small Weibull module show a large variability in strength, a correct statistical analysis of the data is indispensable. In this work we propose the use of the Maximum Likelihood method and a Baysian analysis, which, in contrast to the standard procedures, take into account that failure strengths are Weibull distributed. The analysis provides estimates for the SCG parameters, the Weibull module, and the corresponding confidence intervals and overcomes the necessity of manual differentiation between inert and fatigue strength data. We compare the methods to a Least Squares approach, which can be considered the standard procedure. The results for dynamic loading data from the glass sealing of MEMS devices show that the assumptions inherent to the standard approach lead to significantly different estimates.

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PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Mining frequent stem patterns from unaligned RNA sequences

Hamada, M., Tsuda, K., Kudo, T., Kin, T., Asai, K.

Bioinformatics, 22(20):2480-2487, October 2006 (article)

Abstract
Motivation: In detection of non-coding RNAs, it is often necessary to identify the secondary structure motifs from a set of putative RNA sequences. Most of the existing algorithms aim to provide the best motif or few good motifs, but biologists often need to inspect all the possible motifs thoroughly. Results: Our method RNAmine employs a graph theoretic representation of RNA sequences, and detects all the possible motifs exhaustively using a graph mining algorithm. The motif detection problem boils down to finding frequently appearing patterns in a set of directed and labeled graphs. In the tasks of common secondary structure prediction and local motif detection from long sequences, our method performed favorably both in accuracy and in efficiency with the state-of-the-art methods such as CMFinder.

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PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Large-Scale Gene Expression Profiling Reveals Major Pathogenetic Pathways of Cartilage Degeneration in Osteoarthritis

Aigner, T., Fundel, K., Saas, J., Gebhard, P., Haag, J., Weiss, T., Zien, A., Obermayr, F., Zimmer, R., Bartnik, E.

Arthritis and Rheumatism, 54(11):3533-3544, October 2006 (article)

Abstract
Objective. Despite many research efforts in recent decades, the major pathogenetic mechanisms of osteo- arthritis (OA), including gene alterations occurring during OA cartilage degeneration, are poorly under- stood, and there is no disease-modifying treatment approach. The present study was therefore initiated in order to identify differentially expressed disease-related genes and potential therapeutic targets. Methods. This investigation consisted of a large gene expression profiling study performed based on 78 normal and disease samples, using a custom-made complementar y DNA array covering >4,000 genes. Results. Many differentially expressed genes were identified, including the expected up-regulation of ana- bolic and catabolic matrix genes. In particular, the down-regulation of important oxidative defense genes, i.e., the genes for superoxide dismutases 2 and 3 and glutathione peroxidase 3, was prominent. This indicates that continuous oxidative stress to the cells and the matrix is one major underlying pathogenetic mecha- nism in OA. Also, genes that are involved in the phenot ypic stabilit y of cells, a feature that is greatly reduced in OA cartilage, appeared to be suppressed. Conclusion. Our findings provide a reference data set on gene alterations in OA cartilage and, importantly, indicate major mechanisms underlying central cell bio- logic alterations that occur during the OA disease process. These results identify molecular targets that can be further investigated in the search for therapeutic interventions.

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Web DOI [BibTex]

Web DOI [BibTex]


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Implicit Surface Modelling with a Globally Regularised Basis of Compact Support

Walder, C., Schölkopf, B., Chapelle, O.

Computer Graphics Forum, 25(3):635-644, September 2006 (article)

Abstract
We consider the problem of constructing a globally smooth analytic function that represents a surface implicitly by way of its zero set, given sample points with surface normal vectors. The contributions of the paper include a novel means of regularising multi-scale compactly supported basis functions that leads to the desirable interpolation properties previously only associated with fully supported bases. We also provide a regularisation framework for simpler and more direct treatment of surface normals, along with a corresponding generalisation of the representer theorem lying at the core of kernel-based machine learning methods. We demonstrate the techniques on 3D problems of up to 14 million data points, as well as 4D time series data and four-dimensional interpolation between three-dimensional shapes.

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PDF GZIP DOI [BibTex]


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An Online Support Vector Machine for Abnormal Events Detection

Davy, M., Desobry, F., Gretton, A., Doncarli, C.

Signal Processing, 86(8):2009-2025, August 2006 (article)

Abstract
The ability to detect online abnormal events in signals is essential in many real-world Signal Processing applications. Previous algorithms require an explicit signal statistical model, and interpret abnormal events as statistical model abrupt changes. Corresponding implementation relies on maximum likelihood or on Bayes estimation theory with generally excellent performance. However, there are numerous cases where a robust and tractable model cannot be obtained, and model-free approaches need to be considered. In this paper, we investigate a machine learning, descriptor-based approach that does not require an explicit descriptors statistical model, based on Support Vector novelty detection. A sequential optimization algorithm is introduced. Theoretical considerations as well as simulations on real signals demonstrate its practical efficiency.

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PDF PostScript PDF DOI [BibTex]

PDF PostScript PDF DOI [BibTex]


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Integrating Structured Biological data by Kernel Maximum Mean Discrepancy

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

Bioinformatics, 22(4: ISMB 2006 Conference Proceedings):e49-e57, August 2006 (article)

Abstract
Motivation: Many problems in data integration in bioinformatics can be posed as one common question: Are two sets of observations generated by the same distribution? We propose a kernel-based statistical test for this problem, based on the fact that two distributions are different if and only if there exists at least one function having different expectation on the two distributions. Consequently we use the maximum discrepancy between function means as the basis of a test statistic. The Maximum Mean Discrepancy (MMD) can take advantage of the kernel trick, which allows us to apply it not only to vectors, but strings, sequences, graphs, and other common structured data types arising in molecular biology. Results: We study the practical feasibility of an MMD-based test on three central data integration tasks: Testing cross-platform comparability of microarray data, cancer diagnosis, and data-content based schema matching for two different protein function classification schemas. In all of these experiments, including high-dimensional ones, MMD is very accurate in finding samples that were generated from the same distribution, and outperforms its best competitors. Conclusions: We have defined a novel statistical test of whether two samples are from the same distribution, compatible with both multivariate and structured data, that is fast, easy to implement, and works well, as confirmed by our experiments.

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Web DOI [BibTex]

Web DOI [BibTex]


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Large Scale Transductive SVMs

Collobert, R., Sinz, F., Weston, J., Bottou, L.

Journal of Machine Learning Research, 7, pages: 1687-1712, August 2006 (article)

Abstract
We show how the Concave-Convex Procedure can be applied to the optimization of Transductive SVMs, which traditionally requires solving a combinatorial search problem. This provides for the first time a highly scalable algorithm in the nonlinear case. Detailed experiments verify the utility of our approach.

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PostScript PDF PDF [BibTex]

PostScript PDF PDF [BibTex]


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Building Support Vector Machines with Reduced Classifier Complexity

Keerthi, S., Chapelle, O., DeCoste, D.

Journal of Machine Learning Research, 7, pages: 1493-1515, July 2006 (article)

Abstract
Support vector machines (SVMs), though accurate, are not preferred in applications requiring great classification speed, due to the number of support vectors being large. To overcome this problem we devise a primal method with the following properties: (1) it decouples the idea of basis functions from the concept of support vectors; (2) it greedily finds a set of kernel basis functions of a specified maximum size ($dmax$) to approximate the SVM primal cost function well; (3) it is efficient and roughly scales as $O(ndmax^2)$ where $n$ is the number of training examples; and, (4) the number of basis functions it requires to achieve an accuracy close to the SVM accuracy is usually far less than the number of SVM support vectors.

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PDF [BibTex]

PDF [BibTex]