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2015


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Causal Inference for Empirical Time Series Based on the Postulate of Independence of Cause and Mechanism

Besserve, M.

53rd Annual Allerton Conference on Communication, Control, and Computing, September 2015 (talk)

[BibTex]

2015

[BibTex]


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Independence of cause and mechanism in brain networks

Besserve, M.

DALI workshop on Networks: Processes and Causality, April 2015 (talk)

[BibTex]

[BibTex]


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Information-Theoretic Implications of Classical and Quantum Causal Structures

Chaves, R., Majenz, C., Luft, L., Maciel, T., Janzing, D., Schölkopf, B., Gross, D.

18th Conference on Quantum Information Processing (QIP), 2015 (talk)

Web link (url) [BibTex]

Web link (url) [BibTex]


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Assessment of brain tissue damage in the Sub-Acute Stroke Region by Multiparametric Imaging using [89-Zr]-Desferal-EPO-PET/MRI

Castaneda, S. G., Katiyar, P., Russo, F., Disselhorst, J. A., Calaminus, C., Poli, S., Maurer, A., Ziemann, U., Pichler, B. J.

World Molecular Imaging Conference, 2015 (talk)

[BibTex]

[BibTex]


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Early time point in vivo PET/MR is a promising biomarker for determining efficacy of a novel Db(\alphaEGFR)-scTRAIL fusion protein therapy in a colon cancer model

Divine, M. R., Harant, M., Katiyar, P., Disselhorst, J. A., Bukala, D., Aidone, S., Siegemund, M., Pfizenmaier, K., Kontermann, R., Pichler, B. J.

World Molecular Imaging Conference, 2015 (talk)

[BibTex]

[BibTex]


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Cosmology from Cosmic Shear with DES Science Verification Data

Abbott, T., Abdalla, F. B., Allam, S., Amara, A., Annis, J., Armstrong, R., Bacon, D., Banerji, M., Bauer, A. H., Baxter, E., others,

arXiv preprint arXiv:1507.05552, 2015 (techreport)

link (url) [BibTex]

link (url) [BibTex]


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The DES Science Verification Weak Lensing Shear Catalogs

Jarvis, M., Sheldon, E., Zuntz, J., Kacprzak, T., Bridle, S. L., Amara, A., Armstrong, R., Becker, M. R., Bernstein, G. M., Bonnett, C., others,

arXiv preprint arXiv:1507.05603, 2015 (techreport)

link (url) [BibTex]

link (url) [BibTex]


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The search for single exoplanet transits in the Kepler light curves

Foreman-Mackey, D., Hogg, D. W., Schölkopf, B.

IAU General Assembly, 22, pages: 2258352, 2015 (talk)

link (url) [BibTex]

link (url) [BibTex]

2008


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BCPy2000

Hill, N., Schreiner, T., Puzicha, C., Farquhar, J.

Workshop "Machine Learning Open-Source Software" at NIPS, December 2008 (talk)

Web [BibTex]

2008

Web [BibTex]


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Logistic Regression for Graph Classification

Shervashidze, N., Tsuda, K.

NIPS Workshop on "Structured Input - Structured Output" (NIPS SISO), December 2008 (talk)

Abstract
In this paper we deal with graph classification. We propose a new algorithm for performing sparse logistic regression for graphs, which is comparable in accuracy with other methods of graph classification and produces probabilistic output in addition. Sparsity is required for the reason of interpretability, which is often necessary in domains such as bioinformatics or chemoinformatics.

Web [BibTex]

Web [BibTex]


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New Projected Quasi-Newton Methods with Applications

Sra, S.

Microsoft Research Tech-talk, December 2008 (talk)

Abstract
Box-constrained convex optimization problems are central to several applications in a variety of fields such as statistics, psychometrics, signal processing, medical imaging, and machine learning. Two fundamental examples are the non-negative least squares (NNLS) problem and the non-negative Kullback-Leibler (NNKL) divergence minimization problem. The non-negativity constraints are usually based on an underlying physical restriction, for e.g., when dealing with applications in astronomy, tomography, statistical estimation, or image restoration, the underlying parameters represent physical quantities such as concentration, weight, intensity, or frequency counts and are therefore only interpretable with non-negative values. Several modern optimization methods can be inefficient for simple problems such as NNLS and NNKL as they are really designed to handle far more general and complex problems. In this work we develop two simple quasi-Newton methods for solving box-constrained (differentiable) convex optimization problems that utilize the well-known BFGS and limited memory BFGS updates. We position our method between projected gradient (Rosen, 1960) and projected Newton (Bertsekas, 1982) methods, and prove its convergence under a simple Armijo step-size rule. We illustrate our method by showing applications to: Image deblurring, Positron Emission Tomography (PET) image reconstruction, and Non-negative Matrix Approximation (NMA). On medium sized data we observe performance competitive to established procedures, while for larger data the results are even better.

PDF [BibTex]

PDF [BibTex]


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Frequent Subgraph Retrieval in Geometric Graph Databases

Nowozin, S., Tsuda, K.

(180), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2008 (techreport)

Abstract
Discovery of knowledge from geometric graph databases is of particular importance in chemistry and biology, because chemical compounds and proteins are represented as graphs with 3D geometric coordinates. In such applications, scientists are not interested in the statistics of the whole database. Instead they need information about a novel drug candidate or protein at hand, represented as a query graph. We propose a polynomial-delay algorithm for geometric frequent subgraph retrieval. It enumerates all subgraphs of a single given query graph which are frequent geometric epsilon-subgraphs under the entire class of rigid geometric transformations in a database. By using geometric epsilon-subgraphs, we achieve tolerance against variations in geometry. We compare the proposed algorithm to gSpan on chemical compound data, and we show that for a given minimum support the total number of frequent patterns is substantially limited by requiring geometric matching. Although the computation time per pattern is larger than for non-geometric graph mining, the total time is within a reasonable level even for small minimum support.

PDF [BibTex]

PDF [BibTex]


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Simultaneous Implicit Surface Reconstruction and Meshing

Giesen, J., Maier, M., Schölkopf, B.

(179), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2008 (techreport)

Abstract
We investigate an implicit method to compute a piecewise linear representation of a surface from a set of sample points. As implicit surface functions we use the weighted sum of piecewise linear kernel functions. For such a function we can partition Rd in such a way that these functions are linear on the subsets of the partition. For each subset in the partition we can then compute the zero level set of the function exactly as the intersection of a hyperplane with the subset.

PDF [BibTex]

PDF [BibTex]


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Taxonomy Inference Using Kernel Dependence Measures

Blaschko, M., Gretton, A.

(181), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2008 (techreport)

Abstract
We introduce a family of unsupervised algorithms, numerical taxonomy clustering, to simultaneously cluster data, and to learn a taxonomy that encodes the relationship between the clusters. The algorithms work by maximizing the dependence between the taxonomy and the original data. The resulting taxonomy is a more informative visualization of complex data than simple clustering; in addition, taking into account the relations between different clusters is shown to substantially improve the quality of the clustering, when compared with state-of-the-art algorithms in the literature (both spectral clustering and a previous dependence maximization approach). We demonstrate our algorithm on image and text data.

PDF [BibTex]

PDF [BibTex]


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Infinite Kernel Learning

Gehler, P., Nowozin, S.

(178), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, October 2008 (techreport)

Abstract
In this paper we consider the problem of automatically learning the kernel from general kernel classes. Specifically we build upon the Multiple Kernel Learning (MKL) framework and in particular on the work of (Argyriou, Hauser, Micchelli, & Pontil, 2006). We will formulate a Semi-Infinite Program (SIP) to solve the problem and devise a new algorithm to solve it (Infinite Kernel Learning, IKL). The IKL algorithm is applicable to both the finite and infinite case and we find it to be faster and more stable than SimpleMKL (Rakotomamonjy, Bach, Canu, & Grandvalet, 2007) for cases of many kernels. In the second part we present the first large scale comparison of SVMs to MKL on a variety of benchmark datasets, also comparing IKL. The results show two things: a) for many datasets there is no benefit in linearly combining kernels with MKL/IKL instead of the SVM classifier, thus the flexibility of using more than one kernel seems to be of no use, b) on some datasets IKL yields impressive increases in accuracy over SVM/MKL due to the possibility of using a largely increased kernel set. In those cases, IKL remains practical, whereas both cross-validation or standard MKL is infeasible.

PDF Web [BibTex]

PDF Web [BibTex]


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MR-Based PET Attenuation Correction: Initial Results for Whole Body

Hofmann, M., Steinke, F., Aschoff, P., Lichy, M., Brady, M., Schölkopf, B., Pichler, B.

Medical Imaging Conference, October 2008 (talk)

[BibTex]

[BibTex]


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Nonparametric Indepedence Tests: Space Partitioning and Kernel Approaches

Gretton, A., Györfi, L.

19th International Conference on Algorithmic Learning Theory (ALT08), October 2008 (talk)

PDF Web [BibTex]

PDF Web [BibTex]


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Large Scale Variational Inference and Experimental Design for Sparse Generalized Linear Models

Seeger, M., Nickisch, H.

(175), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, September 2008 (techreport)

PDF [BibTex]

PDF [BibTex]


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Data-driven goodness-of-fit tests

Langovoy, M.

2008 Barcelona Conference on Asymptotic Statistics (BAS), September 2008 (talk)

Web [BibTex]

Web [BibTex]


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Block-Iterative Algorithms for Non-Negative Matrix Approximation

Sra, S.

(176), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, September 2008 (techreport)

Abstract
In this report we present new algorithms for non-negative matrix approximation (NMA), commonly known as the NMF problem. Our methods improve upon the well-known methods of Lee & Seung [19] for both the Frobenius norm as well the Kullback-Leibler divergence versions of the problem. For the latter problem, our results are especially interesting because it seems to have witnessed much lesser algorithmic progress as compared to the Frobenius norm NMA problem. Our algorithms are based on a particular block-iterative acceleration technique for EM, which preserves the multiplicative nature of the updates and also ensures monotonicity. Furthermore, our algorithms also naturally apply to the Bregman-divergence NMA algorithms of Dhillon and Sra [8]. Experimentally, we show that our algorithms outperform the traditional Lee/Seung approach most of the time.

PDF [BibTex]

PDF [BibTex]


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Approximation Algorithms for Bregman Clustering Co-clustering and Tensor Clustering

Sra, S., Jegelka, S., Banerjee, A.

(177), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, September 2008 (techreport)

Abstract
The Euclidean K-means problem is fundamental to clustering and over the years it has been intensely investigated. More recently, generalizations such as Bregman k-means [8], co-clustering [10], and tensor (multi-way) clustering [40] have also gained prominence. A well-known computational difficulty encountered by these clustering problems is the NP-Hardness of the associated optimization task, and commonly used methods guarantee at most local optimality. Consequently, approximation algorithms of varying degrees of sophistication have been developed, though largely for the basic Euclidean K-means (or `1-norm K-median) problem. In this paper we present approximation algorithms for several Bregman clustering problems by building upon the recent paper of Arthur and Vassilvitskii [5]. Our algorithms obtain objective values within a factor O(logK) for Bregman k-means, Bregman co-clustering, Bregman tensor clustering, and weighted kernel k-means. To our knowledge, except for some special cases, approximation algorithms have not been considered for these general clustering problems. There are several important implications of our work: (i) under the same assumptions as Ackermann et al. [1] it yields a much faster algorithm (non-exponential in K, unlike [1]) for information-theoretic clustering, (ii) it answers several open problems posed by [4], including generalizations to Bregman co-clustering, and tensor clustering, (iii) it provides practical and easy to implement methods—in contrast to several other common approximation approaches.

PDF [BibTex]

PDF [BibTex]


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Combining Appearance and Motion for Human Action Classification in Videos

Dhillon, P., Nowozin, S., Lampert, C.

(174), Max-Planck-Institute for Biological Cybernetics, Tübingen, Germany, August 2008 (techreport)

Abstract
We study the question of activity classification in videos and present a novel approach for recognizing human action categories in videos by combining information from appearance and motion of human body parts. Our approach uses a tracking step which involves Particle Filtering and a local non - parametric clustering step. The motion information is provided by the trajectory of the cluster modes of a local set of particles. The statistical information about the particles of that cluster over a number of frames provides the appearance information. Later we use a “Bag ofWords” model to build one histogram per video sequence from the set of these robust appearance and motion descriptors. These histograms provide us characteristic information which helps us to discriminate among various human actions and thus classify them correctly. We tested our approach on the standard KTH and Weizmann human action datasets and the results were comparable to the state of the art. Additionally our approach is able to distinguish between activities that involve the motion of complete body from those in which only certain body parts move. In other words, our method discriminates well between activities with “gross motion” like running, jogging etc. and “local motion” like waving, boxing etc.

PDF [BibTex]

PDF [BibTex]


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Example-based Learning for Single-image Super-resolution and JPEG Artifact Removal

Kim, K., Kwon, Y.

(173), Max-Planck-Institute for Biological Cybernetics, Tübingen, Germany, August 2008 (techreport)

Abstract
This paper proposes a framework for single-image super-resolution and JPEG artifact removal. The underlying idea is to learn a map from input low-quality images (suitably preprocessed low-resolution or JPEG encoded images) to target high-quality images based on example pairs of input and output images. To retain the complexity of the resulting learning problem at a moderate level, a patch-based approach is taken such that kernel ridge regression (KRR) scans the input image with a small window (patch) and produces a patchvalued output for each output pixel location. These constitute a set of candidate images each of which reflects different local information. An image output is then obtained as a convex combination of candidates for each pixel based on estimated confidences of candidates. To reduce the time complexity of training and testing for KRR, a sparse solution is found by combining the ideas of kernel matching pursuit and gradient descent. As a regularized solution, KRR leads to a better generalization than simply storing the examples as it has been done in existing example-based super-resolution algorithms and results in much less noisy images. However, this may introduce blurring and ringing artifacts around major edges as sharp changes are penalized severely. A prior model of a generic image class which takes into account the discontinuity property of images is adopted to resolve this problem. Comparison with existing super-resolution and JPEG artifact removal methods shows the effectiveness of the proposed method. Furthermore, the proposed method is generic in that it has the potential to be applied to many other image enhancement applications.

PDF [BibTex]

PDF [BibTex]


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mGene: A Novel Discriminative Gene Finder

Schweikert, G., Zeller, G., Zien, A., Behr, J., Sonnenburg, S., Philips, P., Ong, C., Rätsch, G.

Worm Genomics and Systems Biology meeting, July 2008 (talk)

[BibTex]

[BibTex]


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Discovering Common Sequence Variation in Arabidopsis thaliana

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

16th Annual International Conference Intelligent Systems for Molecular Biology (ISMB), July 2008 (talk)

Web [BibTex]

Web [BibTex]


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Coding Theory in Brain-Computer Interfaces

Martens, SMM.

Soria Summerschool on Computational Mathematics "Algebraic Coding Theory" (S3CM), July 2008 (talk)

Web [BibTex]

Web [BibTex]


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Motor Skill Learning for Cognitive Robotics

Peters, J.

6th International Cognitive Robotics Workshop (CogRob), July 2008 (talk)

Abstract
Autonomous robots that can assist humans in situations of daily life have been a long standing vision of robotics, artificial intelligence, and cognitive sciences. A first step towards this goal is to create robots that can learn tasks triggered by environmental context or higher level instruction. However, learning techniques have yet to live up to this promise as only few methods manage to scale to high-dimensional manipulator or humanoid robots. In this tutorial, we give a general overview on motor skill learning for cognitive robotics using research at ATR, USC, CMU and Max-Planck in order to illustrate the problems in motor skill learning. For doing so, we discuss task-appropriate representations and algorithms for learning robot motor skills. Among the topics are the learning basic movements or motor primitives by imitation and reinforcement learning, learning rhytmic and discrete movements, fast regression methods for learning inverse dynamics and setups for learning task-space policies. Examples on various robots, e.g., SARCOS DB, the SARCOS Master Arm, BDI Little Dog and a Barrett WAM, are shown and include Ball-in-a-Cup, T-Ball, Juggling, Devil-Sticking, Operational Space Control and many others.

Web [BibTex]

Web [BibTex]


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Painless Embeddings of Distributions: the Function Space View (Part 1)

Fukumizu, K., Gretton, A., Smola, A.

25th International Conference on Machine Learning (ICML), July 2008 (talk)

Abstract
This tutorial will give an introduction to the recent understanding and methodology of the kernel method: dealing with higher order statistics by embedding painlessly random variables/probability distributions. In the early days of kernel machines research, the "kernel trick" was considered a useful way of constructing nonlinear algorithms from linear ones. More recently, however, it has become clear that a potentially more far reaching use of kernels is as a linear way of dealing with higher order statistics by embedding distributions in a suitable reproducing kernel Hilbert space (RKHS). Notably, unlike the straightforward expansion of higher order moments or conventional characteristic function approach, the use of kernels or RKHS provides a painless, tractable way of embedding distributions. This line of reasoning leads naturally to the questions: what does it mean to embed a distribution in an RKHS? when is this embedding injective (and thus, when do different distributions have unique mappings)? what implications are there for learning algorithms that make use of these embeddings? This tutorial aims at answering these questions. There are a great variety of applications in machine learning and computer science, which require distribution estimation and/or comparison.

PDF Web [BibTex]

PDF Web [BibTex]


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Reinforcement Learning for Robotics

Peters, J.

8th European Workshop on Reinforcement Learning for Robotics (EWRL), July 2008 (talk)

Web [BibTex]

Web [BibTex]


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Unsupervised Bayesian Time-series Segmentation based on Linear Gaussian State-space Models

Chiappa, S.

(171), Max-Planck-Institute for Biological Cybernetics, Tübingen, Germany, June 2008 (techreport)

Abstract
Unsupervised time-series segmentation in the general scenario in which the number of segment-types and segment boundaries are a priori unknown is a fundamental problem in many applications and requires an accurate segmentation model as well as a way of determining an appropriate number of segment-types. In most approaches, segmentation and determination of number of segment-types are addressed in two separate steps, since the segmentation model assumes a predefined number of segment-types. The determination of number of segment-types is thus achieved by training and comparing several separate models. In this paper, we take a Bayesian approach to a segmentation model based on linear Gaussian state-space models to achieve structure selection within the model. An appropriate prior distribution on the parameters is used to enforce a sparse parametrization, such that the model automatically selects the smallest number of underlying dynamical systems that explain the data well and a parsimonious structure for each dynamical system. As the resulting model is computationally intractable, we introduce a variational approximation, in which a reformulation of the problem enables to use an efficient inference algorithm.

[BibTex]

[BibTex]


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A New Non-monotonic Gradient Projection Method for the Non-negative Least Squares Problem

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

(TR-08-28), University of Texas, Austin, TX, USA, June 2008 (techreport)

Web [BibTex]

Web [BibTex]


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Multi-Classification by Categorical Features via Clustering

Seldin, Y.

25th International Conference on Machine Learning (ICML), June 2008 (talk)

Abstract
We derive a generalization bound for multi-classification schemes based on grid clustering in categorical parameter product spaces. Grid clustering partitions the parameter space in the form of a Cartesian product of partitions for each of the parameters. The derived bound provides a means to evaluate clustering solutions in terms of the generalization power of a built-on classifier. For classification based on a single feature the bound serves to find a globally optimal classification rule. Comparison of the generalization power of individual features can then be used for feature ranking. Our experiments show that in this role the bound is much more precise than mutual information or normalized correlation indices.

PDF Web [BibTex]

PDF Web [BibTex]


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Non-monotonic Poisson Likelihood Maximization

Sra, S., Kim, D., Schölkopf, B.

(170), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, June 2008 (techreport)

Abstract
This report summarizes the theory and some main applications of a new non-monotonic algorithm for maximizing a Poisson Likelihood, which for Positron Emission Tomography (PET) is equivalent to minimizing the associated Kullback-Leibler Divergence, and for Transmission Tomography is similar to maximizing the dual of a maximum entropy problem. We call our method non-monotonic maximum likelihood (NMML) and show its application to different problems such as tomography and image restoration. We discuss some theoretical properties such as convergence for our algorithm. Our experimental results indicate that speedups obtained via our non-monotonic methods are substantial.

PDF [BibTex]

PDF [BibTex]


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Thin-Plate Splines Between Riemannian Manifolds

Steinke, F., Hein, M., Schölkopf, B.

Workshop on Geometry and Statistics of Shapes, June 2008 (talk)

Abstract
With the help of differential geometry we describe a framework to define a thin-plate spline like energy for maps between arbitrary Riemannian manifolds. The so-called Eells energy only depends on the intrinsic geometry of the input and output manifold, but not on their respective representation. The energy can then be used for regression between manifolds, we present results for cases where the outputs are rotations, sets of angles, or points on 3D surfaces. In the future we plan to also target regression where the output is an element of "shape space", understood as a Riemannian manifold. One could also further explore the meaning of the Eells energy when applied to diffeomorphisms between shapes, especially with regard to its potential use as a distance measure between shapes that does not depend on the embedding or the parametrisation of the shapes.

Web [BibTex]

Web [BibTex]


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Machine Learning for Robotics: Learning Methods for Robot Motor Skills

Peters, J.

pages: 107 , (Editors: J Peters), VDM-Verlag, Saarbrücken, Germany, May 2008 (book)

Abstract
Autonomous robots have been a vision of robotics, artificial intelligence, and cognitive sciences. An important step towards this goal is to create robots that can learn to accomplish amultitude of different tasks triggered by environmental context and higher-level instruction. Early approaches to this goal during the heydays of artificial intelligence research in the late 1980s showed that handcrafted approaches do not suffice and that machine learning is needed. However, off the shelf learning techniques often do not scale into real-time or to the high-dimensional domains of manipulator and humanoid robotics. In this book, we investigate the foundations for a general approach to motor skilllearning that employs domain-specific machine learning methods. A theoretically well-founded general approach to representing the required control structures for task representation and executionis presented along with novel learning algorithms that can be applied in this setting. The resulting framework is shown to work well both in simulation and on real robots.

Web [BibTex]

Web [BibTex]


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Learning resolved velocity control

Peters, J.

2008 IEEE International Conference on Robotics and Automation (ICRA), May 2008 (talk)

Web [BibTex]

Web [BibTex]


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Bayesian methods for protein structure determination

Habeck, M.

Machine Learning in Structural Bioinformatics, April 2008 (talk)

Web [BibTex]

Web [BibTex]


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A Kernel Method for the Two-sample Problem

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

(157), Max-Planck-Institute for Biological Cybernetics Tübingen, April 2008 (techreport)

Abstract
We propose a framework for analyzing and comparing distributions, allowing us to design statistical tests to determine if two samples are drawn from different distributions. Our test statistic is the largest difference in expectations over functions in the unit ball of a reproducing kernel Hilbert space (RKHS). We present two tests based on large deviation bounds for the test statistic, while a third is based on the asymptotic distribution of this statistic. The test statistic can be computed in quadratic time, although efficient linear time approximations are available. Several classical metrics on distributions are recovered when the function space used to compute the difference in expectations is allowed to be more general (eg.~a Banach space). We apply our two-sample tests to a variety of problems, including attribute matching for databases using the Hungarian marriage method, where they perform strongly. Excellent performance is also obtained when comparing distributions over graphs, for which these are the first such tests.

PDF [BibTex]

PDF [BibTex]


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Energy Functionals for Manifold-valued Mappings and Their Properties

Hein, M., Steinke, F., Schölkopf, B.

(167), Max Planck Institute for Biological Cybernetics, Tübingen, January 2008 (techreport)

Abstract
This technical report is merely an extended version of the appendix of Steinke et.al. "Manifold-valued Thin-Plate Splines with Applications in Computer Graphics" (2008) with complete proofs, which had to be omitted due to space restrictions. This technical report requires a basic knowledge of differential geometry. However, apart from that requirement the technical report is self-contained.

PDF [BibTex]

PDF [BibTex]

2007


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Reaction graph kernels for discovering missing enzymes in the plant secondary metabolism

Saigo, H., Hattori, M., Tsuda, K.

NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

Abstract
Secondary metabolic pathway in plant is important for finding druggable candidate enzymes. However, there are many enzymes whose functions are still undiscovered especially in organism-specific metabolic pathways. We propose reaction graph kernels for automatically assigning the EC numbers to unknown enzymatic reactions in a metabolic network. Experiments are carried out on KEGG/REACTION database and our method successfully predicted the first three digits of the EC number with 83% accuracy.We also exhaustively predicted missing enzymatic functions in the plant secondary metabolism pathways, and evaluated our results in biochemical validity.

Web [BibTex]

2007

Web [BibTex]


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Positional Oligomer Importance Matrices

Sonnenburg, S., Zien, A., Philips, P., Rätsch, G.

NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

Abstract
At the heart of many important bioinformatics problems, such as gene finding and function prediction, is the classification of biological sequences, above all of DNA and proteins. In many cases, the most accurate classifiers are obtained by training SVMs with complex sequence kernels, for instance for transcription starts or splice sites. However, an often criticized downside of SVMs with complex kernels is that it is very hard for humans to understand the learned decision rules and to derive biological insights from them. To close this gap, we introduce the concept of positional oligomer importance matrices (POIMs) and develop an efficient algorithm for their computation. We demonstrate how they overcome the limitations of sequence logos, and how they can be used to find relevant motifs for different biological phenomena in a straight-forward way. Note that the concept of POIMs is not limited to interpreting SVMs, but is applicable to general k−mer based scoring systems.

Web [BibTex]

Web [BibTex]


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Machine Learning Algorithms for Polymorphism Detection

Schweikert, G., Zeller, G., Weigel, D., Schölkopf, B., Rätsch, G.

NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

Web [BibTex]

Web [BibTex]


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An Automated Combination of Kernels for Predicting Protein Subcellular Localization

Zien, A., Ong, C.

NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

Abstract
Protein subcellular localization is a crucial ingredient to many important inferences about cellular processes, including prediction of protein function and protein interactions.We propose a new class of protein sequence kernels which considers all motifs including motifs with gaps. This class of kernels allows the inclusion of pairwise amino acid distances into their computation. We utilize an extension of the multiclass support vector machine (SVM)method which directly solves protein subcellular localization without resorting to the common approach of splitting the problem into several binary classification problems. To automatically search over families of possible amino acid motifs, we optimize over multiple kernels at the same time. We compare our automated approach to four other predictors on three different datasets, and show that we perform better than the current state of the art. Furthermore, our method provides some insights as to which features are most useful for determining subcellular localization, which are in agreement with biological reasoning.

Web [BibTex]

Web [BibTex]


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Challenges in Brain-Computer Interface Development: Induction, Measurement, Decoding, Integration

Hill, NJ.

Invited keynote talk at the launch of BrainGain, the Dutch BCI research consortium, November 2007 (talk)

Abstract
I‘ll present a perspective on Brain-Computer Interface development from T{\"u}bingen. Some of the benefits promised by BCI technology lie in the near foreseeable future, and some further away. Our motivation is to make BCI technology feasible for the people who could benefit from what it has to offer soon: namely, people in the "completely locked-in" state. I‘ll mention some of the challenges of working with this user group, and explain the specific directions they have motivated us to take in developing experimental methods, algorithms, and software.

[BibTex]

[BibTex]


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Policy Learning for Robotics

Peters, J.

14th International Conference on Neural Information Processing (ICONIP), November 2007 (talk)

Web [BibTex]

Web [BibTex]


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Hilbert Space Representations of Probability Distributions

Gretton, A.

2nd Workshop on Machine Learning and Optimization at the ISM, October 2007 (talk)

Abstract
Many problems in unsupervised learning require the analysis of features of probability distributions. At the most fundamental level, we might wish to determine whether two distributions are the same, based on samples from each - this is known as the two-sample or homogeneity problem. We use kernel methods to address this problem, by mapping probability distributions to elements in a reproducing kernel Hilbert space (RKHS). Given a sufficiently rich RKHS, these representations are unique: thus comparing feature space representations allows us to compare distributions without ambiguity. Applications include testing whether cancer subtypes are distinguishable on the basis of DNA microarray data, and whether low frequency oscillations measured at an electrode in the cortex have a different distribution during a neural spike. A more difficult problem is to discover whether two random variables drawn from a joint distribution are independent. It turns out that any dependence between pairs of random variables can be encoded in a cross-covariance operator between appropriate RKHS representations of the variables, and we may test independence by looking at a norm of the operator. We demonstrate this independence test by establishing dependence between an English text and its French translation, as opposed to French text on the same topic but otherwise unrelated. Finally, we show that this operator norm is itself a difference in feature means.

PDF Web [BibTex]

PDF Web [BibTex]


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Regression with Intervals

Kashima, H., Yamazaki, K., Saigo, H., Inokuchi, A.

International Workshop on Data-Mining and Statistical Science (DMSS2007), October 2007, JSAI Incentive Award. Talk was given by Hisashi Kashima. (talk)

Web [BibTex]

Web [BibTex]


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Bayesian Estimators for Robins-Ritov’s Problem

Harmeling, S., Toussaint, M.

(EDI-INF-RR-1189), School of Informatics, University of Edinburgh, October 2007 (techreport)

Abstract
Bayesian or likelihood-based approaches to data analysis became very popular in the field of Machine Learning. However, there exist theoretical results which question the general applicability of such approaches; among those a result by Robins and Ritov which introduce a specific example for which they prove that a likelihood-based estimator will fail (i.e. it does for certain cases not converge to a true parameter estimate, even given infinite data). In this paper we consider various approaches to formulate likelihood-based estimators in this example, basically by considering various extensions of the presumed generative model of the data. We can derive estimators which are very similar to the classical Horvitz-Thompson and which also account for a priori knowledge of an observation probability function.

PDF [BibTex]

PDF [BibTex]


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MR-Based PET Attenuation Correction: Method and Validation

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

Joint Molecular Imaging Conference, September 2007 (talk)

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.

PDF Web [BibTex]

PDF Web [BibTex]


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Predicting Structured Data

Bakir, G., Hofmann, T., Schölkopf, B., Smola, A., Taskar, B., Vishwanathan, S.

pages: 360, Advances in neural information processing systems, MIT Press, Cambridge, MA, USA, September 2007 (book)

Abstract
Machine learning develops intelligent computer systems that are able to generalize from previously seen examples. A new domain of machine learning, in which the prediction must satisfy the additional constraints found in structured data, poses one of machine learning’s greatest challenges: learning functional dependencies between arbitrary input and output domains. This volume presents and analyzes the state of the art in machine learning algorithms and theory in this novel field. The contributors discuss applications as diverse as machine translation, document markup, computational biology, and information extraction, among others, providing a timely overview of an exciting field.

Web [BibTex]

Web [BibTex]