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2010


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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.

ei

PDF DOI [BibTex]

2010


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.

ei

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.

ei

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.

ei

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.

ei

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.

ei

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)

ei

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.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Solving large-scale nonnegative least squares using an adaptive non-monotonic method

Sra, S., Kim, D., Dhillon, I.

24th European Conference on Operational Research (EURO 2010), 24, pages: 223, April 2010 (poster)

Abstract
We present an efficient algorithm for large-scale non-negative least-squares (NNLS). We solve NNLS by extending the unconstrained quadratic optimization method of Barzilai and Borwein (BB) to handle nonnegativity constraints. Our approach is simple yet efficient. It differs from other constrained BB variants as: (i) it uses a specific subset of variables for computing BB steps; and (ii) it scales these steps adaptively to ensure convergence. We compare our method with both established convex solvers and specialized NNLS methods, and observe highly competitive empirical performance.

ei

PDF [BibTex]

PDF [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.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Sparse regression via a trust-region proximal method

Kim, D., Sra, S., Dhillon, I.

24th European Conference on Operational Research (EURO 2010), 24, pages: 278, April 2010 (poster)

Abstract
We present a method for sparse regression problems. Our method is based on the nonsmooth trust-region framework that minimizes a sum of smooth convex functions and a nonsmooth convex regularizer. By employing a separable quadratic approximation to the smooth part, the method enables the use of proximity operators, which in turn allow tackling the nonsmooth part efficiently. We illustrate our method by implementing it for three important sparse regression problems. In experiments with synthetic and real-world large-scale data, our method is seen to be competitive, robust, and scalable.

ei

PDF [BibTex]

PDF [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.

ei

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.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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PAC-Bayesian Bounds for Discrete Density Estimation and Co-clustering Analysis

Seldin, Y., Tishby, N.

Workshop "Foundations and New Trends of PAC Bayesian Learning", 2010, March 2010 (poster)

Abstract
We applied PAC-Bayesian framework to derive gen- eralization bounds for co-clustering1. The analysis yielded regularization terms that were absent in the preceding formulations of this task. The bounds sug- gested that co-clustering should optimize a trade-off between its empirical performance and the mutual in- formation that the cluster variables preserve on row and column indices. Proper regularization enabled us to achieve state-of-the-art results in prediction of the missing ratings in the MovieLens collaborative filtering dataset. In addition a PAC-Bayesian bound for discrete den- sity estimation was derived. We have shown that the PAC-Bayesian bound for classification is a spe- cial case of the PAC-Bayesian bound for discrete den- sity estimation. We further introduced combinatorial priors to PAC-Bayesian analysis. The combinatorial priors are more appropriate for discrete domains, as opposed to Gaussian priors, the latter of which are suitable for continuous domains. It was shown that combinatorial priors lead to regularization terms in the form of mutual information.

ei

PDF Web [BibTex]

PDF Web [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.

ei

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.

ei

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.

ei

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.

ei

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.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Learning the Reward Model of Dialogue POMDPs

Boularias, A., Chinaei, H., Chaib-Draa, B.

NIPS Workshop on Machine Learning for Assistive Technology (MLAT-2010), 2010 (poster)

ei

[BibTex]

[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)

ei

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.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Erste Erfahrungen bei der Beurteilung hämato-onkologischer Krankheitsmanifestationen an den Extremitäten mit einem PET/MRT-Hybridsystem.

Sauter, A., Boss, A., Kolb, A., Mantlik, F., Bethge, W., Kanz, L., Pfannenberg, C., Stegger, L., Pichler, B., Claussen, C., Horger, M.

Thieme Verlag, Stuttgart, Germany, 91. Deutscher R{\"o}ntgenkongress, 2010 (poster)

ei

Web DOI [BibTex]

Web DOI [BibTex]

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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MR-Based PET Attenuation Correction: Method and Validation

Hofmann, M., Steinke, F., Scheel, V., Charpiat, G., Brady, M., Schölkopf, B., Pichler, B.

2007 IEEE Nuclear Science Symposium and Medical Imaging Conference (NSS-MIC 2007), 2007(M16-6):1-2, November 2007 (poster)

Abstract
PET/MR combines the high soft tissue contrast of Magnetic Resonance Imaging (MRI) and the functional information of Positron Emission Tomography (PET). For quantitative PET information, correction of tissue photon attenuation is mandatory. Usually in conventional PET, the attenuation map is obtained from a transmission scan, which uses a rotating source, or from the CT scan in case of combined PET/CT. In the case of a PET/MR scanner, there is insufficient space for the rotating source and ideally one would want to calculate the attenuation map from the MR image instead. Since MR images provide information about proton density of the different tissue types, it is not trivial to use this data for PET attenuation correction. We present a method for predicting the PET attenuation map from a given the MR image, using a combination of atlas-registration and recognition of local patterns. Using "leave one out cross validation" we show on a database of 16 MR-CT image pairs that our method reliably allows estimating the CT image from the MR image. Subsequently, as in PET/CT, the PET attenuation map can be predicted from the CT image. On an additional dataset of MR/CT/PET triplets we quantitatively validate that our approach allows PET quantification with an error that is smaller than what would be clinically significant. We demonstrate our approach on T1-weighted human brain scans. However, the presented methods are more general and current research focuses on applying the established methods to human whole body PET/MRI applications.

ei

PDF PDF [BibTex]

PDF PDF [BibTex]


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Estimating receptive fields without spike-triggering

Macke, J., Zeck, G., Bethge, M.

37th annual Meeting of the Society for Neuroscience (Neuroscience 2007), 37(768.1):1, November 2007 (poster)

ei

Web [BibTex]

Web [BibTex]


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Evaluation of Deformable Registration Methods for MR-CT Atlas Alignment

Scheel, V., Hofmann, M., Rehfeld, N., Judenhofer, M., Claussen, C., Pichler, B.

2007 IEEE Nuclear Science Symposium and Medical Imaging Conference (NSS-MIC 2007), 2007(M13-121):1, November 2007 (poster)

Abstract
Deformable registration methods are essential for multimodality imaging. Many different methods exist but due to the complexity of the deformed images a direct comparison of the methods is difficult. One particular application that requires high accuracy registration of MR-CT images is atlas-based attenuation correction for PET/MR. We compare four deformable registration algorithms for 3D image data included in the Open Source "National Library of Medicine Insight Segmentation and Registration Toolkit" (ITK). An interactive landmark based registration using MiraView (Siemens) has been used as gold standard. The automatic algorithms provided by ITK are based on the metrics Mattes mutual information as well as on normalized mutual information. The transformations are calculated by interpolating over a uniform B-Spline grid laying over the image to be warped. The algorithms were tested on head images from 10 subjects. We implemented a measure which segments head interior bone and air based on the CT images and l ow intensity classes of corresponding MRI images. The segmentation of bone is performed by individually calculating the lowest Hounsfield unit threshold for each CT image. The compromise is made by quantifying the number of overlapping voxels of the remaining structures. We show that the algorithms provided by ITK achieve similar or better accuracy than the time-consuming interactive landmark based registration. Thus, ITK provides an ideal platform to generate accurately fused datasets from different modalities, required for example for building training datasets for Atlas-based attenuation correction.

ei

PDF [BibTex]

PDF [BibTex]


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A time/frequency decomposition of information transmission by LFPs and spikes in the primary visual cortex

Belitski, A., Gretton, A., Magri, C., Murayama, Y., Montemurro, M., Logothetis, N., Panzeri, S.

37th Annual Meeting of the Society for Neuroscience (Neuroscience 2007), 37, pages: 1, November 2007 (poster)

ei

Web [BibTex]

Web [BibTex]


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Mining expression-dependent modules in the human interaction network

Georgii, E., Dietmann, S., Uno, T., Pagel, P., Tsuda, K.

BMC Bioinformatics, 8(Suppl. 8):S4, November 2007 (poster)

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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A Hilbert Space Embedding for Distributions

Smola, A., Gretton, A., Song, L., Schölkopf, B.

Proceedings of the 10th International Conference on Discovery Science (DS 2007), 10, pages: 40-41, October 2007 (poster)

Abstract
While kernel methods are the basis of many popular techniques in supervised learning, they are less commonly used in testing, estimation, and analysis of probability distributions, where information theoretic approaches rule the roost. However it becomes difficult to estimate mutual information or entropy if the data are high dimensional.

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [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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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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Studying the effects of noise correlations on population coding using a sampling method

Ecker, A., Berens, P., Bethge, M., Logothetis, N., Tolias, A.

Neural Coding, Computation and Dynamics (NCCD 07), 1, pages: 21, September 2007 (poster)

ei

PDF [BibTex]

PDF [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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Near-Maximum Entropy Models for Binary Neural Representations of Natural Images

Berens, P., Bethge, M.

Neural Coding, Computation and Dynamics (NCCD 07), 1, pages: 19, September 2007 (poster)

Abstract
Maximum entropy analysis of binary variables provides an elegant way for studying the role of pairwise correlations in neural populations. Unfortunately, these approaches suffer from their poor scalability to high dimensions. In sensory coding, however, high-dimensional data is ubiquitous. Here, we introduce a new approach using a near-maximum entropy model, that makes this type of analysis feasible for very high-dimensional data---the model parameters can be derived in closed form and sampling is easy. We demonstrate its usefulness by studying a simple neural representation model of natural images. For the first time, we are able to directly compare predictions from a pairwise maximum entropy model not only in small groups of neurons, but also in larger populations of more than thousand units. Our results indicate that in such larger networks interactions exist that are not predicted by pairwise correlations, despite the fact that pairwise correlations explain the lower-dimensional marginal statistics extrem ely well up to the limit of dimensionality where estimation of the full joint distribution is feasible.

ei

PDF [BibTex]

PDF [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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Learning the Influence of Spatio-Temporal Variations in Local Image Structure on Visual Saliency

Kienzle, W., Wichmann, F., Schölkopf, B., Franz, M.

10th T{\"u}binger Wahrnehmungskonferenz (TWK 2007), 10, pages: 1, July 2007 (poster)

Abstract
Computational models for bottom-up visual attention traditionally consist of a bank of Gabor-like or Difference-of-Gaussians filters and a nonlinear combination scheme which combines the filter responses into a real-valued saliency measure [1]. Recently it was shown that a standard machine learning algorithm can be used to derive a saliency model from human eye movement data with a very small number of additional assumptions. The learned model is much simpler than previous models, but nevertheless has state-of-the-art prediction performance [2]. A central result from this study is that DoG-like center-surround filters emerge as the unique solution to optimizing the predictivity of the model. Here we extend the learning method to the temporal domain. While the previous model [2] predicts visual saliency based on local pixel intensities in a static image, our model also takes into account temporal intensity variations. We find that the learned model responds strongly to temporal intensity changes ocurring 200-250ms before a saccade is initiated. This delay coincides with the typical saccadic latencies, indicating that the learning algorithm has extracted a meaningful statistic from the training data. In addition, we show that the model correctly predicts a significant proportion of human eye movements on previously unseen test data.

ei

Web [BibTex]

Web [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]