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2010


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Dynamic Dissimilarity Measure for Support-Based Clustering

Lee, D., Lee, J.

IEEE Transactions on Knowledge and Data Engineering, 22(6):900-905, June 2010 (article)

Abstract
Clustering methods utilizing support estimates of a data distribution have recently attracted much attention because of their ability to generate cluster boundaries of arbitrary shape and to deal with outliers efficiently. In this paper, we propose a novel dissimilarity measure based on a dynamical system associated with support estimating functions. Theoretical foundations of the proposed measure are developed and applied to construct a clustering method that can effectively partition the whole data space. Simulation results demonstrate that clustering based on the proposed dissimilarity measure is robust to the choice of kernel parameters and able to control the number of clusters efficiently.

Web DOI [BibTex]

2010

Web DOI [BibTex]


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Sparse Spectrum Gaussian Process Regression

Lázaro-Gredilla, M., Quiñonero-Candela, J., Rasmussen, CE., Figueiras-Vidal, AR.

Journal of Machine Learning Research, 11, pages: 1865-1881, June 2010 (article)

Abstract
We present a new sparse Gaussian Process (GP) model for regression. The key novel idea is to sparsify the spectral representation of the GP. This leads to a simple, practical algorithm for regression tasks. We compare the achievable trade-offs between predictive accuracy and computational requirements, and show that these are typically superior to existing state-of-the-art sparse approximations. We discuss both the weight space and function space representations, and note that the new construction implies priors over functions which are always stationary, and can approximate any covariance function in this class.

PDF [BibTex]

PDF [BibTex]


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Unsupervised Object Discovery: A Comparison

Tuytelaars, T., Lampert, CH., Blaschko, MB., Buntine, W.

International Journal of Computer Vision, 88(2):284-302, June 2010 (article)

Abstract
The goal of this paper is to evaluate and compare models and methods for learning to recognize basic entities in images in an unsupervised setting. In other words, we want to discover the objects present in the images by analyzing unlabeled data and searching for re-occurring patterns. We experiment with various baseline methods, methods based on latent variable models, as well as spectral clustering methods. The results are presented and compared both on subsets of Caltech256 and MSRC2, data sets that are larger and more challenging and that include more object classes than what has previously been reported in the literature. A rigorous framework for evaluating unsupervised object discovery methods is proposed.

PDF DOI [BibTex]

PDF DOI [BibTex]


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How to Explain Individual Classification Decisions

Baehrens, D., Schroeter, T., Harmeling, S., Kawanabe, M., Hansen, K., Müller, K.

Journal of Machine Learning Research, 11, pages: 1803-1831, June 2010 (article)

Abstract
After building a classifier with modern tools of machine learning we typically have a black box at hand that is able to predict well for unseen data. Thus, we get an answer to the question what is the most likely label of a given unseen data point. However, most methods will provide no answer why the model predicted a particular label for a single instance and what features were most influential for that particular instance. The only method that is currently able to provide such explanations are decision trees. This paper proposes a procedure which (based on a set of assumptions) allows to explain the decisions of any classification method.

PDF PDF [BibTex]

PDF PDF [BibTex]


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Single-Image Super-Resolution Using Sparse Regression and Natural Image Prior

Kim, K., Kwon, Y.

IEEE Transactions on Pattern Analysis and Machine Intelligence, 32(6):1127-1133, June 2010 (article)

Abstract
This paper proposes a framework for single-image super-resolution. The underlying idea is to learn a map from input low-resolution images to target high-resolution images based on example pairs of input and output images. Kernel ridge regression (KRR) is adopted for this purpose. 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 has been done in existing example-based 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 algorithms shows the effectiveness of the proposed method.

Web DOI [BibTex]

Web DOI [BibTex]


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Imitation and Reinforcement Learning

Kober, J., Peters, J.

IEEE Robotics and Automation Magazine, 17(2):55-62, June 2010 (article)

Abstract
In this article, we present both novel learning algorithms and experiments using the dynamical system MPs. As such, we describe this MP representation in a way that it is straightforward to reproduce. We review an appropriate imitation learning method, i.e., locally weighted regression, and show how this method can be used both for initializing RL tasks as well as for modifying the start-up phase in a rhythmic task. We also show our current best-suited RL algorithm for this framework, i.e., PoWER. We present two complex motor tasks, i.e., ball-in-a-cup and ball paddling, learned on a real, physical Barrett WAM, using the methods presented in this article. Of particular interest is the ball-paddling application, as it requires a combination of both rhythmic and discrete dynamical systems MPs during the start-up phase to achieve a particular task.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Diffusion Tensor Imaging in a Human PET/MR Hybrid System

Boss, A., Kolb, A., Hofmann, M., Bisdas, S., Nägele, T., Ernemann, U., Stegger, L., Rossi, C., Schlemmer, H., Pfannenberg, C., Reimold, M., Claussen, C., Pichler, B., Klose, U.

Investigative Radiology, 45(5):270-274, May 2010 (article)

Web DOI [BibTex]

Web DOI [BibTex]


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A Bayesian Framework to Account for Complex Non-Genetic Factors in Gene Expression Levels Greatly Increases Power in eQTL Studies

Stegle, O., Parts, L., Durbin, R., Winn, JM.

PLoS Computational Biology, 6(5):1-11, May 2010 (article)

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Estimation of a Structural Vector Autoregression Model Using Non-Gaussianity

Hyvärinen, A., Zhang, K., Shimizu, S., Hoyer, P.

Journal of Machine Learning Research, 11, pages: 1709-1731, May 2010 (article)

Abstract
Analysis of causal effects between continuous-valued variables typically uses either autoregressive models or structural equation models with instantaneous effects. Estimation of Gaussian, linear structural equation models poses serious identifiability problems, which is why it was recently proposed to use non-Gaussian models. Here, we show how to combine the non-Gaussian instantaneous model with autoregressive models. This is effectively what is called a structural vector autoregression (SVAR) model, and thus our work contributes to the long-standing problem of how to estimate SVAR‘s. We show that such a non-Gaussian model is identifiable without prior knowledge of network structure. We propose computationally efficient methods for estimating the model, as well as methods to assess the significance of the causal influences. The model is successfully applied on financial and brain imaging data.

PDF Web [BibTex]

PDF Web [BibTex]


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A Robust Bayesian Two-Sample Test for Detecting Intervals of Differential Gene Expression in Microarray Time Series

Stegle, O., Denby, KJ., Cooke, EJ., Wild, DL., Ghahramani, Z., Borgwardt, KM.

Journal of Computational Biology, 17(3):355-367, May 2010 (article)

Abstract
Understanding the regulatory mechanisms that are responsible for an organism‘s response to environmental change is an important issue in molecular biology. A first and important step towards this goal is to detect genes whose expression levels are affected by altered external conditions. A range of methods to test for differential gene expression, both in static as well as in time-course experiments, have been proposed. While these tests answer the question whether a gene is differentially expressed, they do not explicitly address the question when a gene is differentially expressed, although this information may provide insights into the course and causal structure of regulatory programs. In this article, we propose a two-sample test for identifying intervals of differential gene expression in microarray time series. Our approach is based on Gaussian process regression, can deal with arbitrary numbers of replicates, and is robust with respect to outliers. We apply our algorithm to study the response of Arabidopsis thaliana genes to an infection by a fungal pathogen using a microarray time series dataset covering 30,336 gene probes at 24 observed time points. In classification experiments, our test compares favorably with existing methods and provides additional insights into time-dependent differential expression.

Web DOI [BibTex]

Web DOI [BibTex]


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Statistical Tests for Detecting Differential RNA-Transcript Expression from Read Counts

Stegle, O., Drewe, P., Bohnert, R., Borgwardt, K., Rätsch, G.

Nature Precedings, 2010, pages: 1-11, May 2010 (article)

Abstract
As a fruit of the current revolution in sequencing technology, transcriptomes can now be analyzed at an unprecedented level of detail. These advances have been exploited for detecting differential expressed genes across biological samples and for quantifying the abundances of various RNA transcripts within one gene. However, explicit strategies for detecting the hidden differential abundances of RNA transcripts in biological samples have not been defined. In this work, we present two novel statistical tests to address this issue: a "gene structure sensitive" Poisson test for detecting differential expression when the transcript structure of the gene is known, and a kernel-based test called Maximum Mean Discrepancy when it is unknown. We analyzed the proposed approaches on simulated read data for two artificial samples as well as on factual reads generated by the Illumina Genome Analyzer for two C. elegans samples. Our analysis shows that the Poisson test identifies genes with differential transcript expression considerably better that previously proposed RNA transcript quantification approaches for this task. The MMD test is able to detect a large fraction (75%) of such differential cases without the knowledge of the annotated transcripts. It is therefore well-suited to analyze RNA-Seq experiments when the genome annotations are incomplete or not available, where other approaches have to fail.

PDF DOI [BibTex]

PDF DOI [BibTex]


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Parameter-exploring policy gradients

Sehnke, F., Osendorfer, C., Rückstiess, T., Graves, A., Peters, J., Schmidhuber, J.

Neural Networks, 21(4):551-559, May 2010 (article)

Abstract
We present a model-free reinforcement learning method for partially observable Markov decision problems. Our method estimates a likelihood gradient by sampling directly in parameter space, which leads to lower variance gradient estimates than obtained by regular policy gradient methods. We show that for several complex control tasks, including robust standing with a humanoid robot, this method outperforms well-known algorithms from the fields of standard policy gradients, finite difference methods and population based heuristics. We also show that the improvement is largest when the parameter samples are drawn symmetrically. Lastly we analyse the importance of the individual components of our method by incrementally incorporating them into the other algorithms, and measuring the gain in performance after each step.

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Temporal Kernel CCA and its Application in Multimodal Neuronal Data Analysis

Biessmann, F., Meinecke, F., Gretton, A., Rauch, A., Rainer, G., Logothetis, N., Müller, K.

Machine Learning, 79(1-2):5-27, May 2010 (article)

Abstract
Data recorded from multiple sources sometimes exhibit non-instantaneous couplings. For simple data sets, cross-correlograms may reveal the coupling dynamics. But when dealing with high-dimensional multivariate data there is no such measure as the cross-correlogram. We propose a simple algorithm based on Kernel Canonical Correlation Analysis (kCCA) that computes a multivariate temporal filter which links one data modality to another one. The filters can be used to compute a multivariate extension of the cross-correlogram, the canonical correlogram, between data sources that have different dimensionalities and temporal resolutions. The canonical correlogram reflects the coupling dynamics between the two sources. The temporal filter reveals which features in the data give rise to these couplings and when they do so. We present results from simulations and neuroscientific experiments showing that tkCCA yields easily interpretable temporal filters and correlograms. In the experiments, we simultaneously performed electrode recordings and functional magnetic resonance imaging (fMRI) in primary visual cortex of the non-human primate. While electrode recordings reflect brain activity directly, fMRI provides only an indirect view of neural activity via the Blood Oxygen Level Dependent (BOLD) response. Thus it is crucial for our understanding and the interpretation of fMRI signals in general to relate them to direct measures of neural activity acquired with electrodes. The results computed by tkCCA confirm recent models of the hemodynamic response to neural activity and allow for a more detailed analysis of neurovascular coupling dynamics.

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Estimating predictive stimulus features from psychophysical data: The decision image technique applied to human faces

Macke, J., Wichmann, F.

Journal of Vision, 10(5:22):1-24, May 2010 (article)

Abstract
One major challenge in the sensory sciences is to identify the stimulus features on which sensory systems base their computations, and which are predictive of a behavioral decision: they are a prerequisite for computational models of perception. We describe a technique (decision images) for extracting predictive stimulus features using logistic regression. A decision image not only defines a region of interest within a stimulus but is a quantitative template which defines a direction in stimulus space. Decision images thus enable the development of predictive models, as well as the generation of optimized stimuli for subsequent psychophysical investigations. Here we describe our method and apply it to data from a human face classification experiment. We show that decision images are able to predict human responses not only in terms of overall percent correct but also in terms of the probabilities with which individual faces are (mis-) classified by individual observers. We show that the most predictive dimension for gender categorization is neither aligned with the axis defined by the two class-means, nor with the first principal component of all faces-two hypotheses frequently entertained in the literature. Our method can be applied to a wide range of binary classification tasks in vision or other psychophysical contexts.

Web DOI [BibTex]


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Animal detection in natural scenes: Critical features revisited

Wichmann, F., Drewes, J., Rosas, P., Gegenfurtner, K.

Journal of Vision, 10(4):1-27, April 2010 (article)

Abstract
S. J. Thorpe, D. Fize, and C. Marlot (1996) showed how rapidly observers can detect animals in images of natural scenes, but it is still unclear which image features support this rapid detection. A. B. Torralba and A. Oliva (2003) suggested that a simple image statistic based on the power spectrum allows the absence or presence of objects in natural scenes to be predicted. We tested whether human observers make use of power spectral differences between image categories when detecting animals in natural scenes. In Experiments 1 and 2 we found performance to be essentially independent of the power spectrum. Computational analysis revealed that the ease of classification correlates with the proposed spectral cue without being caused by it. This result is consistent with the hypothesis that in commercial stock photo databases a majority of animal images are pre-segmented from the background by the photographers and this pre-segmentation causes the power spectral differences between image categories and may, furthermore, help rapid animal detection. Data from a third experiment are consistent with this hypothesis. Together, our results make it exceedingly unlikely that human observers make use of power spectral differences between animal- and no-animal images during rapid animal detection. In addition, our results point to potential confounds in the commercially available “natural image” databases whose statistics may be less natural than commonly presumed.

Web DOI [BibTex]

Web DOI [BibTex]


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A generative model approach for decoding in the visual event-related potential-based brain-computer interface speller

Martens, SMM., Leiva, JM.

Journal of Neural Engineering, 7(2):1-10, April 2010 (article)

Abstract
There is a strong tendency towards discriminative approaches in brain-computer interface (BCI) research. We argue that generative model-based approaches are worth pursuing and propose a simple generative model for the visual ERP-based BCI speller which incorporates prior knowledge about the brain signals. We show that the proposed generative method needs less training data to reach a given letter prediction performance than the state of the art discriminative approaches.

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Hilbert Space Embeddings and Metrics on Probability Measures

Sriperumbudur, B., Gretton, A., Fukumizu, K., Schölkopf, B., Lanckriet, G.

Journal of Machine Learning Research, 11, pages: 1517-1561, April 2010 (article)

PDF [BibTex]

PDF [BibTex]


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Graph Kernels

Vishwanathan, SVN., Schraudolph, NN., Kondor, R., Borgwardt, KM.

Journal of Machine Learning Research, 11, pages: 1201-1242, April 2010 (article)

Abstract
We present a unified framework to study graph kernels, special cases of which include the random walk (G{\"a}rtner et al., 2003; Borgwardt et al., 2005) and marginalized (Kashima et al., 2003, 2004; Mahét al., 2004) graph kernels. Through reduction to a Sylvester equation we improve the time complexity of kernel computation between unlabeled graphs with n vertices from O(n6) to O(n3). We find a spectral decomposition approach even more efficient when computing entire kernel matrices. For labeled graphs we develop conjugate gradient and fixed-point methods that take O(dn3) time per iteration, where d is the size of the label set. By extending the necessary linear algebra to Reproducing Kernel Hilbert Spaces (RKHS) we obtain the same result for d-dimensional edge kernels, and O(n4) in the infinite-dimensional case; on sparse graphs these algorithms only take O(n2) time per iteration in all cases. Experiments on graphs from bioinformatics and other application domains show that these techniques can speed up computation of the kernel by an order of magnitude or more. We also show that certain rational kernels (Cortes et al., 2002, 2003, 2004) when specialized to graphs reduce to our random walk graph kernel. Finally, we relate our framework to R-convolution kernels (Haussler, 1999) and provide a kernel that is close to the optimal assignment kernel of kernel of Fr{\"o}hlich et al. (2006) yet provably positive semi-definite.

PDF Web [BibTex]

PDF Web [BibTex]


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Gene function prediction from synthetic lethality networks via ranking on demand

Lippert, C., Ghahramani, Z., Borgwardt, KM.

Bioinformatics, 26(7):912-918, April 2010 (article)

Abstract
Motivation: Synthetic lethal interactions represent pairs of genes whose individual mutations are not lethal, while the double mutation of both genes does incur lethality. Several studies have shown a correlation between functional similarity of genes and their distances in networks based on synthetic lethal interactions. However, there is a lack of algorithms for predicting gene function from synthetic lethality interaction networks. Results: In this article, we present a novel technique called kernelROD for gene function prediction from synthetic lethal interaction networks based on kernel machines. We apply our novel algorithm to Gene Ontology functional annotation prediction in yeast. Our experiments show that our method leads to improved gene function prediction compared with state-of-the-art competitors and that combining genetic and congruence networks leads to a further improvement in prediction accuracy.

Web DOI [BibTex]

Web DOI [BibTex]


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A toolbox for predicting G-quadruplex formation and stability

Wong, HM., Stegle, O., Rodgers, S., Huppert, J.

Journal of Nucleic Acids, 2010(564946):1-6, March 2010 (article)

Abstract
G-quadruplexes are four stranded nucleic acid structures formed around a core of guanines, arranged in squares with mutual hydrogen bonding. Many of these structures are highly thermally stable, especially in the presence of monovalent cations, such as those found under physiological conditions. Understanding of their physiological roles is expanding rapidly, and they have been implicated in regulating gene transcription and translation among other functions. We have built a community-focused website to act as a repository for the information that is now being developed. At its core, this site has a detailed database (QuadDB) of predicted G-quadruplexes in the human and other genomes, together with the predictive algorithm used to identify them. We also provide a QuadPredict server, which predicts thermal stability and acts as a repository for experimental data from all researchers. There are also a number of other data sources with computational predictions. We anticipate that the wide availability of this information will be of use both to researchers already active in this exciting field and to those who wish to investigate a particular gene hypothesis.

PDF DOI [BibTex]

PDF DOI [BibTex]


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A Novel Protocol for Accuracy Assessment in Classification of Very High Resolution Images

Persello, C., Bruzzone, L.

IEEE Transactions on Geoscience and Remote Sensing, 48(3):1232-1244, March 2010 (article)

Abstract
This paper presents a novel protocol for the accuracy assessment of the thematic maps obtained by the classification of very high resolution images. As the thematic accuracy alone is not sufficient to adequately characterize the geometrical properties of high-resolution classification maps, we propose a protocol that is based on the analysis of two families of indices: 1) the traditional thematic accuracy indices and 2) a set of novel geometric indices that model different geometric properties of the objects recognized in the map. In this context, we present a set of indices that characterize five different types of geometric errors in the classification map: 1) oversegmentation; 2) undersegmentation; 3) edge location; 4) shape distortion; and 5) fragmentation. Moreover, we propose a new approach for tuning the free parameters of supervised classifiers on the basis of a multiobjective criterion function that aims at selecting the parameter values that result in the classification map that jointly optimize thematic and geometric error indices. Experimental results obtained on QuickBird images show the effectiveness of the proposed protocol in selecting classification maps characterized by a better tradeoff between thematic and geometric accuracies than standard procedures based only on thematic accuracy measures. In addition, results obtained with support vector machine classifiers confirm the effectiveness of the proposed multiobjective technique for the selection of free-parameter values for the classification algorithm.

Web DOI [BibTex]

Web DOI [BibTex]


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On the Entropy Production of Time Series with Unidirectional Linearity

Janzing, D.

Journal of Statistical Physics, 138(4-5):767-779, March 2010 (article)

Abstract
There are non-Gaussian time series that admit a causal linear autoregressive moving average (ARMA) model when regressing the future on the past, but not when regressing the past on the future. The reason is that, in the latter case, the regression residuals are not statistically independent of the regressor. In previous work, we have experimentally verified that many empirical time series indeed show such a time inversion asymmetry. For various physical systems, it is known that time-inversion asymmetries are linked to the thermodynamic entropy production in non-equilibrium states. Here we argue that unidirectional linearity is also accompanied by entropy generation. To this end, we study the dynamical evolution of a physical toy system with linear coupling to an infinite environment and show that the linearity of the dynamics is inherited by the forward-time conditional probabilities, but not by the backward-time conditionals. The reason is that the environment permanently provides particles that are in a product state before they interact with the system, but show statistical dependence afterwards. From a coarse-grained perspective, the interaction thus generates entropy. We quantitatively relate the strength of the non-linearity of the backward process to the minimal amount of entropy generation. The paper thus shows that unidirectional linearity is an indirect implication of the thermodynamic arrow of time, given that the joint dynamics of the system and its environment is linear.

PDF DOI [BibTex]

PDF DOI [BibTex]


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Derivatives of Logarithmic Stationary Distributions for Policy Gradient Reinforcement Learning

Morimura, T., Uchibe, E., Yoshimoto, J., Peters, J., Doya, K.

Neural Computation, 22(2):342-376, February 2010 (article)

Abstract
Most conventional policy gradient reinforcement learning (PGRL) algorithms neglect (or do not explicitly make use of) a term in the average reward gradient with respect to the policy parameter. That term involves the derivative of the stationary state distribution that corresponds to the sensitivity of its distribution to changes in the policy parameter. Although the bias introduced by this omission can be reduced by setting the forgetting rate γ for the value functions close to 1, these algorithms do not permit γ to be set exactly at γ = 1. In this article, we propose a method for estimating the log stationary state distribution derivative (LSD) as a useful form of the derivative of the stationary state distribution through backward Markov chain formulation and a temporal difference learning framework. A new policy gradient (PG) framework with an LSD is also proposed, in which the average reward gradient can be estimated by setting //!-- MFG_und--//amp;#947; = 0, so it becomes unnecessary to learn the value functions. We also test the performance of the proposed algorithms using simple benchmark tasks and show that these can improve the performances of existing PG methods.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Bayesian Online Multitask Learning of Gaussian Processes

Pillonetto, G., Dinuzzo, F., De Nicolao, G.

IEEE Transactions on Pattern Analysis and Machine Intelligence, 32(2):193-205, February 2010 (article)

Abstract
Standard single-task kernel methods have recently been extended to the case of multitask learning in the context of regularization theory. There are experimental results, especially in biomedicine, showing the benefit of the multitask approach compared to the single-task one. However, a possible drawback is computational complexity. For instance, when regularization networks are used, complexity scales as the cube of the overall number of training data, which may be large when several tasks are involved. The aim of this paper is to derive an efficient computational scheme for an important class of multitask kernels. More precisely, a quadratic loss is assumed and each task consists of the sum of a common term and a task-specific one. Within a Bayesian setting, a recursive online algorithm is obtained, which updates both estimates and confidence intervals as new data become available. The algorithm is tested on two simulated problems and a real data set relative to xenobiotics administration in human patients.

DOI [BibTex]

DOI [BibTex]


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The semigroup approach to transport processes in networks

Dorn, B., Fijavz, M., Nagel, R., Radl, A.

Physica D: Nonlinear Phenomena, 239(15):1416-1421, January 2010 (article)

Abstract
We explain how operator semigroups can be used to study transport processes in networks. This method is applied to a linear Boltzmann equation on a finite as well as on an infinite network and yields well-posedness and information on the long term behavior of the solutions to the presented problems.

Web DOI [BibTex]

Web DOI [BibTex]


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Optimization of k-Space Trajectories for Compressed Sensing by Bayesian Experimental Design

Seeger, M., Nickisch, H., Pohmann, R., Schölkopf, B.

Magnetic Resonance in Medicine, 63(1):116-126, January 2010 (article)

Abstract
The optimization of k-space sampling for nonlinear sparse MRI reconstruction is phrased as a Bayesian experimental design problem. Bayesian inference is approximated by a novel relaxation to standard signal processing primitives, resulting in an efficient optimization algorithm for Cartesian and spiral trajectories. On clinical resolution brain image data from a Siemens 3T scanner, automatically optimized trajectories lead to significantly improved images, compared to standard low-pass, equispaced, or variable density randomized designs. Insights into the nonlinear design optimization problem for MRI are given.

Web DOI [BibTex]


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Learning functional dependencies with kernel methods

Dinuzzo, F.

Scientifica Acta, 4(1):16-25, 2010 (article)

Abstract
In this paper, we review some recent research directions regarding the synthesis of functions from data using kernel methods. We start by highlighting the central role of the representer theorem and then outline some recent advances in large scale optimization, learning the kernel, and multi-task learning.

Web [BibTex]


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Consistent Nonparametric Tests of Independence

Gretton, A., Györfi, L.

Journal of Machine Learning Research, 11, pages: 1391-1423, 2010 (article)

PDF [BibTex]

PDF [BibTex]


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Inferring latent task structure for Multitask Learning by Multiple Kernel Learning

Widmer, C., Toussaint, N., Altun, Y., Rätsch, G.

BMC Bioinformatics, 11 Suppl 8, pages: S5, 2010 (article)

Abstract
The lack of sufficient training data is the limiting factor for many Machine Learning applications in Computational Biology. If data is available for several different but related problem domains, Multitask Learning algorithms can be used to learn a model based on all available information. In Bioinformatics, many problems can be cast into the Multitask Learning scenario by incorporating data from several organisms. However, combining information from several tasks requires careful consideration of the degree of similarity between tasks. Our proposed method simultaneously learns or refines the similarity between tasks along with the Multitask Learning classifier. This is done by formulating the Multitask Learning problem as Multiple Kernel Learning, using the recently published q-Norm MKL algorithm.

Web DOI [BibTex]

Web DOI [BibTex]


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On a disparity between relative cliquewidth and relative NLC-width

Müller, H., Urner, R.

Discrete Applied Mathematics, 158(7):828-840, 2010 (article)

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.

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.

PDF Web DOI [BibTex]

PDF Web DOI [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.

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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An Improved Adaptive Power Line Interference Canceller for Electrocardiography

Martens, SMM., Mischi, M., Oei, SG., Bergmans, JWM.

IEEE Transactions on Biomedical Engineering, 53(11):2220-2231, November 2006 (article)

Abstract
Power line interference may severely corrupt a biomedical recording. Notch filters and adaptive cancellers have been suggested to suppress this interference. We propose an improved adaptive canceller for the reduction of the fundamental power line interference component and harmonics in electrocardiogram (ECG) recordings. The method tracks the amplitude, phase, and frequency of all the interference components for power line frequency deviations up to about 4 Hz. A comparison is made between the performance of our method, former adaptive cancellers, and a narrow and a wide notch filter in suppressing the fundamental power line interference component. For this purpose a real ECG signal is corrupted by an artificial power line interference signal. The cleaned signal after applying all methods is compared with the original ECG signal. Our improved adaptive canceller shows a signal-to-power-line-interference ratio for the fundamental component up to 30 dB higher than that produced by the other methods. Moreover, our method is also effective for the suppression of the harmonics of the power line interference.

Web DOI [BibTex]

Web DOI [BibTex]


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Donagi-Markman cubic for Hitchin systems

Balduzzi, D.

Mathematical Research Letters, 13(6):923-933, November 2006 (article)

Abstract
The Donagi-Markman cubic is the differential of the period map for algebraic completely integrable systems. Here we prove a formula for the cubic in the case of Hitchin’s system for arbitrary semisimple g. This was originally stated (without proof) by Pantev for sln.

Web [BibTex]

Web [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.

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.

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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From outliers to prototypes: Ordering data

Harmeling, S., Dornhege, G., Tax, D., Meinecke, F., Müller, K.

Neurocomputing, 69(13-15):1608-1618, August 2006 (article)

Abstract
We propose simple and fast methods based on nearest neighbors that order objects from high-dimensional data sets from typical points to untypical points. On the one hand, we show that these easy-to-compute orderings allow us to detect outliers (i.e. very untypical points) with a performance comparable to or better than other often much more sophisticated methods. On the other hand, we show how to use these orderings to detect prototypes (very typical points) which facilitate exploratory data analysis algorithms such as noisy nonlinear dimensionality reduction and clustering. Comprehensive experiments demonstrate the validity of our approach.

PDF PDF DOI [BibTex]

PDF PDF 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.

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.

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.

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.

PDF [BibTex]

PDF [BibTex]


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ARTS: Accurate Recognition of Transcription Starts in Human

Sonnenburg, S., Zien, A., Rätsch, G.

Bioinformatics, 22(14):e472-e480, July 2006 (article)

Abstract
Motivation: One of the most important features of genomic DNA are the protein-coding genes. While it is of great value to identify those genes and the encoded proteins, it is also crucial to understand how their transcription is regulated. To this end one has to identify the corresponding promoters and the contained transcription factor binding sites. TSS finders can be used to locate potential promoters. They may also be used in combination with other signal and content detectors to resolve entire gene structures. Results: We have developed a novel kernel based method - called ARTS - that accurately recognizes transcription start sites in human. The application of otherwise too computationally expensive Support Vector Machines was made possible due to the use of efficient training and evaluation techniques using suffix tries. In a carefully designed experimental study, we compare our TSS finder to state-of-the-art methods from the literature: McPromoter, Eponine and FirstEF. For given false positive rates within a reasonable range, we consistently achieve considerably higher true positive rates. For instance, ARTS finds about 24% true positives at a false positive rate of 1/1000, where the other methods find less than half (10.5%). Availability: Datasets, model selection results, whole genome predictions, and additional experimental results are available at http://www.fml.tuebingen.mpg.de/raetsch/projects/arts

Web DOI [BibTex]

Web DOI [BibTex]


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Large Scale Multiple Kernel Learning

Sonnenburg, S., Rätsch, G., Schäfer, C., Schölkopf, B.

Journal of Machine Learning Research, 7, pages: 1531-1565, July 2006 (article)

Abstract
While classical kernel-based learning algorithms are based on a single kernel, in practice it is often desirable to use multiple kernels. Lanckriet et al. (2004) considered conic combinations of kernel matrices for classification, leading to a convex quadratically constrained quadratic program. We show that it can be rewritten as a semi-infinite linear program that can be efficiently solved by recycling the standard SVM implementations. Moreover, we generalize the formulation and our method to a larger class of problems, including regression and one-class classification. Experimental results show that the proposed algorithm works for hundred thousands of examples or hundreds of kernels to be combined, and helps for automatic model selection, improving the interpretability of the learning result. In a second part we discuss general speed up mechanism for SVMs, especially when used with sparse feature maps as appear for string kernels, allowing us to train a string kernel SVM on a 10 million real-world splice data set from computational biology. We integrated multiple kernel learning in our machine learning toolbox SHOGUN for which the source code is publicly available at http://www.fml.tuebingen.mpg.de/raetsch/projects/shogun.

PDF [BibTex]

PDF [BibTex]


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Factorial coding of natural images: how effective are linear models in removing higher-order dependencies?

Bethge, M.

Journal of the Optical Society of America A, 23(6):1253-1268, June 2006 (article)

Abstract
The performance of unsupervised learning models for natural images is evaluated quantitatively by means of information theory. We estimate the gain in statistical independence (the multi-information reduction) achieved with independent component analysis (ICA), principal component analysis (PCA), zero-phase whitening, and predictive coding. Predictive coding is translated into the transform coding framework, where it can be characterized by the constraint of a triangular filter matrix. A randomly sampled whitening basis and the Haar wavelet are included into the comparison as well. The comparison of all these methods is carried out for different patch sizes, ranging from 2x2 to 16x16 pixels. In spite of large differences in the shape of the basis functions, we find only small differences in the multi-information between all decorrelation transforms (5% or less) for all patch sizes. Among the second-order methods, PCA is optimal for small patch sizes and predictive coding performs best for large patch sizes. The extra gain achieved with ICA is always less than 2%. In conclusion, the `edge filters‘ found with ICA lead only to a surprisingly small improvement in terms of its actual objective.

PDF Web [BibTex]


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Classifying EEG and ECoG Signals without Subject Training for Fast BCI Implementation: Comparison of Non-Paralysed and Completely Paralysed Subjects

Hill, N., Lal, T., Schröder, M., Hinterberger, T., Wilhelm, B., Nijboer, F., Mochty, U., Widman, G., Elger, C., Schölkopf, B., Kübler, A., Birbaumer, N.

IEEE Transactions on Neural Systems and Rehabilitation Engineering, 14(2):183-186, June 2006 (article)

Abstract
We summarize results from a series of related studies that aim to develop a motor-imagery-based brain-computer interface using a single recording session of EEG or ECoG signals for each subject. We apply the same experimental and analytical methods to 11 non-paralysed subjects (8 EEG, 3 ECoG), and to 5 paralysed subjects (4 EEG, 1 ECoG) who had been unable to communicate for some time. While it was relatively easy to obtain classifiable signals quickly from most of the non-paralysed subjects, it proved impossible to classify the signals obtained from the paralysed patients by the same methods. This highlights the fact that though certain BCI paradigms may work well with healthy subjects, this does not necessarily indicate success with the target user group. We outline possible reasons for this failure to transfer.

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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SCARNA: Fast and Accurate Structural Alignment of RNA Sequences by Matching Fixed-Length Stem Fragments

Tabei, Y., Tsuda, K., Kin, T., Asai, K.

Bioinformatics, 22(14):1723-1729, May 2006 (article)

Abstract
The functions of non-coding RNAs are strongly related to their secondary structures, but it is known that a secondary structure prediction of a single sequence is not reliable. Therefore, we have to collect similar RNA sequences with a common secondary structure for the analyses of a new non-coding RNA without knowing the exact secondary structure itself. Therefore, the sequence comparison in searching similar RNAs should consider not only their sequence similarities but their potential secondary structures. Sankoff‘s algorithm predicts the common secondary structures of the sequences, but it is computationally too expensive to apply to large-scale analyses. Because we often want to compare a large number of cDNA sequences or to search similar RNAs in the whole genome sequences, much faster algorithms are required. We propose a new method of comparing RNA sequences based on the structural alignments of the fixed-length fragments of the stem candidates. The implemented software, SCARNA (Stem Candidate Aligner for RNAs), is fast enough to apply to the long sequences in the large-scale analyses. The accuracy of the alignments is better or comparable to the much slower existing algorithms.

PDF Web DOI [BibTex]