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68 results (View BibTeX file of all listed publications)

2018

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Maschinelles Lernen: Entwicklung ohne Grenzen?

Schökopf, B.

In Mit Optimismus in die Zukunft schauen. Künstliche Intelligenz - Chancen und Rahmenbedingungen, pages: 26-34, (Editors: Bender, G. and Herbrich, R. and Siebenhaar, K.), B&S Siebenhaar Verlag, 2018 (incollection)

[BibTex]

2018

Schökopf, B. Maschinelles Lernen: Entwicklung ohne Grenzen? In Mit Optimismus in die Zukunft schauen. Künstliche Intelligenz - Chancen und Rahmenbedingungen, pages: 26-34, (Editors: Bender, G. and Herbrich, R. and Siebenhaar, K.), B&S Siebenhaar Verlag, 2018 (incollection)

[BibTex]

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Methods in Psychophysics

Wichmann, F. A., Jäkel, F.

In Stevens’ Handbook of Experimental Psychology and Cognitive Neuroscience, 5 (Methodology), 7, 4th, John Wiley & Sons, Inc., 2018 (inbook)

[BibTex]

Wichmann, F. A., Jäkel, F. Methods in Psychophysics In Stevens’ Handbook of Experimental Psychology and Cognitive Neuroscience, 5 (Methodology), 7, 4th, John Wiley & Sons, Inc., 2018 (inbook)

[BibTex]

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Transfer Learning for BCIs

Jayaram, V., Fiebig, K., Peters, J., Grosse-Wentrup, M.

In Brain–Computer Interfaces Handbook, pages: 425-442, 22, (Editors: Chang S. Nam, Anton Nijholt and Fabien Lotte), CRC Press, 2018 (incollection)

Project Page [BibTex]

Jayaram, V., Fiebig, K., Peters, J., Grosse-Wentrup, M. Transfer Learning for BCIs In Brain–Computer Interfaces Handbook, pages: 425-442, 22, (Editors: Chang S. Nam, Anton Nijholt and Fabien Lotte), CRC Press, 2018 (incollection)

Project Page [BibTex]

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

Besserve, M. Causal Inference for Empirical Time Series Based on the Postulate of Independence of Cause and Mechanism 53rd Annual Allerton Conference on Communication, Control, and Computing, September 2015 (talk)

[BibTex]

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Kernel methods in medical imaging

Charpiat, G., Hofmann, M., Schölkopf, B.

In Handbook of Biomedical Imaging, pages: 63-81, 4, (Editors: Paragios, N., Duncan, J. and Ayache, N.), Springer, Berlin, Germany, June 2015 (inbook)

Web link (url) [BibTex]

Charpiat, G., Hofmann, M., Schölkopf, B. Kernel methods in medical imaging In Handbook of Biomedical Imaging, pages: 63-81, 4, (Editors: Paragios, N., Duncan, J. and Ayache, N.), Springer, Berlin, Germany, June 2015 (inbook)

Web link (url) [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]

Besserve, M. Independence of cause and mechanism in brain networks DALI workshop on Networks: Processes and Causality, April 2015 (talk)

[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]

Chaves, R., Majenz, C., Luft, L., Maciel, T., Janzing, D., Schölkopf, B., Gross, D. Information-Theoretic Implications of Classical and Quantum Causal Structures 18th Conference on Quantum Information Processing (QIP), 2015 (talk)

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]

Castaneda, S. G., Katiyar, P., Russo, F., Disselhorst, J. A., Calaminus, C., Poli, S., Maurer, A., Ziemann, U., Pichler, B. J. Assessment of brain tissue damage in the Sub-Acute Stroke Region by Multiparametric Imaging using [89-Zr]-Desferal-EPO-PET/MRI World Molecular Imaging Conference, 2015 (talk)

[BibTex]

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Statistical and Machine Learning Methods for Neuroimaging: Examples, Challenges, and Extensions to Diffusion Imaging Data

O’Donnell, L. J., Schultz, T.

In Visualization and Processing of Higher Order Descriptors for Multi-Valued Data, pages: 299-319, (Editors: Hotz, I. and Schultz, T.), Springer, 2015 (inbook)

[BibTex]

O’Donnell, L. J., Schultz, T. Statistical and Machine Learning Methods for Neuroimaging: Examples, Challenges, and Extensions to Diffusion Imaging Data In Visualization and Processing of Higher Order Descriptors for Multi-Valued Data, pages: 299-319, (Editors: Hotz, I. and Schultz, T.), Springer, 2015 (inbook)

[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]

Divine, M. R., Harant, M., Katiyar, P., Disselhorst, J. A., Bukala, D., Aidone, S., Siegemund, M., Pfizenmaier, K., Kontermann, R., Pichler, B. J. 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 World Molecular Imaging Conference, 2015 (talk)

[BibTex]

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Justifying Information-Geometric Causal Inference

Janzing, D., Steudel, B., Shajarisales, N., Schölkopf, B.

In Measures of Complexity: Festschrift for Alexey Chervonenkis, pages: 253-265, 18, (Editors: Vovk, V., Papadopoulos, H. and Gammerman, A.), Springer, 2015 (inbook)

DOI [BibTex]

Janzing, D., Steudel, B., Shajarisales, N., Schölkopf, B. Justifying Information-Geometric Causal Inference In Measures of Complexity: Festschrift for Alexey Chervonenkis, pages: 253-265, 18, (Editors: Vovk, V., Papadopoulos, H. and Gammerman, A.), Springer, 2015 (inbook)

DOI [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]

Foreman-Mackey, D., Hogg, D. W., Schölkopf, B. The search for single exoplanet transits in the Kepler light curves IAU General Assembly, 22, pages: 2258352, 2015 (talk)

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

Hill, N., Schreiner, T., Puzicha, C., Farquhar, J. BCPy2000 Workshop "Machine Learning Open-Source Software" at NIPS, December 2008 (talk)

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]

Shervashidze, N., Tsuda, K. Logistic Regression for Graph Classification NIPS Workshop on "Structured Input - Structured Output" (NIPS SISO), December 2008 (talk)

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]

Sra, S. New Projected Quasi-Newton Methods with Applications Microsoft Research Tech-talk, December 2008 (talk)

PDF [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]

Hofmann, M., Steinke, F., Aschoff, P., Lichy, M., Brady, M., Schölkopf, B., Pichler, B. MR-Based PET Attenuation Correction: Initial Results for Whole Body Medical Imaging Conference, October 2008 (talk)

[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]

Gretton, A., Györfi, L. Nonparametric Indepedence Tests: Space Partitioning and Kernel Approaches 19th International Conference on Algorithmic Learning Theory (ALT08), October 2008 (talk)

PDF Web [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]

Langovoy, M. Data-driven goodness-of-fit tests 2008 Barcelona Conference on Asymptotic Statistics (BAS), September 2008 (talk)

Web [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]

Schweikert, G., Zeller, G., Zien, A., Behr, J., Sonnenburg, S., Philips, P., Ong, C., Rätsch, G. mGene: A Novel Discriminative Gene Finder Worm Genomics and Systems Biology meeting, July 2008 (talk)

[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]

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. Discovering Common Sequence Variation in Arabidopsis thaliana 16th Annual International Conference Intelligent Systems for Molecular Biology (ISMB), July 2008 (talk)

Web [BibTex]

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CogRob 2008: The 6th International Cognitive Robotics Workshop

Lespérance, Y., Lakemeyer, G., Peters, J., Pirri, F.

Proceedings of the 6th International Cognitive Robotics Workshop (CogRob 2008), pages: 35, Patras University Press, Patras, Greece, 6th International Cognitive Robotics Workshop (CogRob), July 2008 (proceedings)

Web [BibTex]

Lespérance, Y., Lakemeyer, G., Peters, J., Pirri, F. CogRob 2008: The 6th International Cognitive Robotics Workshop Proceedings of the 6th International Cognitive Robotics Workshop (CogRob 2008), pages: 35, Patras University Press, Patras, Greece, 6th International Cognitive Robotics Workshop (CogRob), July 2008 (proceedings)

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]

Martens, SMM. Coding Theory in Brain-Computer Interfaces Soria Summerschool on Computational Mathematics "Algebraic Coding Theory" (S3CM), July 2008 (talk)

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]

Peters, J. Motor Skill Learning for Cognitive Robotics 6th International Cognitive Robotics Workshop (CogRob), July 2008 (talk)

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]

Fukumizu, K., Gretton, A., Smola, A. Painless Embeddings of Distributions: the Function Space View (Part 1) 25th International Conference on Machine Learning (ICML), July 2008 (talk)

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]

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

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]

Seldin, Y. Multi-Classification by Categorical Features via Clustering 25th International Conference on Machine Learning (ICML), June 2008 (talk)

PDF Web [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]

Steinke, F., Hein, M., Schölkopf, B. Thin-Plate Splines Between Riemannian Manifolds Workshop on Geometry and Statistics of Shapes, June 2008 (talk)

Web [BibTex]

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New Frontiers in Characterizing Structure and Dynamics by NMR

Nilges, M., Markwick, P., Malliavin, TE., Rieping, W., Habeck, M.

In Computational Structural Biology: Methods and Applications, pages: 655-680, (Editors: Schwede, T. , M. C. Peitsch), World Scientific, New Jersey, NJ, USA, May 2008 (inbook)

Abstract
Nuclear Magnetic Resonance (NMR) spectroscopy has emerged as the method of choice for studying both the structure and the dynamics of biological macromolecule in solution. Despite the maturity of the NMR method for structure determination, its application faces a number of challenges. The method is limited to systems of relatively small molecular mass, data collection times are long, data analysis remains a lengthy procedure, and it is difficult to evaluate the quality of the final structures. The last years have seen significant advances in experimental techniques to overcome or reduce some limitations. The function of bio-macromolecules is determined by both their 3D structure and conformational dynamics. These molecules are inherently flexible systems displaying a broad range of dynamics on time–scales from picoseconds to seconds. NMR is unique in its ability to obtain dynamic information on an atomic scale. The experimental information on structure and dynamics is intricately mixed. It is however difficult to unite both structural and dynamical information into one consistent model, and protocols for the determination of structure and dynamics are performed independently. This chapter deals with the challenges posed by the interpretation of NMR data on structure and dynamics. We will first relate the standard structure calculation methods to Bayesian probability theory. We will then briefly describe the advantages of a fully Bayesian treatment of structure calculation. Then, we will illustrate the advantages of using Bayesian reasoning at least partly in standard structure calculations. The final part will be devoted to interpretation of experimental data on dynamics.

Web [BibTex]

Nilges, M., Markwick, P., Malliavin, TE., Rieping, W., Habeck, M. New Frontiers in Characterizing Structure and Dynamics by NMR In Computational Structural Biology: Methods and Applications, pages: 655-680, (Editors: Schwede, T. , M. C. Peitsch), World Scientific, New Jersey, NJ, USA, May 2008 (inbook)

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]

Peters, J. Learning resolved velocity control 2008 IEEE International Conference on Robotics and Automation (ICRA), May 2008 (talk)

Web [BibTex]

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Bayesian methods for protein structure determination

Habeck, M.

Machine Learning in Structural Bioinformatics, April 2008 (talk)

Web [BibTex]

Habeck, M. Bayesian methods for protein structure determination Machine Learning in Structural Bioinformatics, April 2008 (talk)

Web [BibTex]

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A Robot System for Biomimetic Navigation: From Snapshots to Metric Embeddings of View Graphs

Franz, MO., Stürzl, W., Reichardt, W., Mallot, HA.

In Robotics and Cognitive Approaches to Spatial Mapping, pages: 297-314, Springer Tracts in Advanced Robotics ; 38, (Editors: Jefferies, M.E. , W.-K. Yeap), Springer, Berlin, Germany, 2008 (inbook)

Abstract
Complex navigation behaviour (way-finding) involves recognizing several places and encoding a spatial relationship between them. Way-finding skills can be classified into a hierarchy according to the complexity of the tasks that can be performed [8]. The most basic form of way-finding is route navigation, followed by topological navigation where several routes are integrated into a graph-like representation. The highest level, survey navigation, is reached when this graph can be embedded into a common reference frame. In this chapter, we present the building blocks for a biomimetic robot navigation system that encompasses all levels of this hierarchy. As a local navigation method, we use scene-based homing. In this scheme, a goal location is characterized either by a panoramic snapshot of the light intensities as seen from the place, or by a record of the distances to the surrounding objects. The goal is found by moving in the direction that minimizes the discrepancy between the recorded intensities or distances and the current sensory input. For learning routes, the robot selects distinct views during exploration that are close enough to be reached by snapshot-based homing. When it encounters already visited places during route learning, it connects the routes and thus forms a topological representation of its environment termed a view graph. The final stage, survey navigation, is achieved by a graph embedding procedure which complements the topologic information of the view graph with odometric position estimates. Calculation of the graph embedding is done with a modified multidimensional scaling algorithm which makes use of distances and angles between nodes.

PDF PDF DOI [BibTex]

Franz, MO., Stürzl, W., Reichardt, W., Mallot, HA. A Robot System for Biomimetic Navigation: From Snapshots to Metric Embeddings of View Graphs In Robotics and Cognitive Approaches to Spatial Mapping, pages: 297-314, Springer Tracts in Advanced Robotics ; 38, (Editors: Jefferies, M.E. , W.-K. Yeap), Springer, Berlin, Germany, 2008 (inbook)

PDF PDF DOI [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

Saigo, H., Hattori, M., Tsuda, K. Reaction graph kernels for discovering missing enzymes in the plant secondary metabolism NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

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]

Sonnenburg, S., Zien, A., Philips, P., Rätsch, G. Positional Oligomer Importance Matrices NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

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]

Schweikert, G., Zeller, G., Weigel, D., Schölkopf, B., Rätsch, G. Machine Learning Algorithms for Polymorphism Detection NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

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]

Zien, A., Ong, C. An Automated Combination of Kernels for Predicting Protein Subcellular Localization NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

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]

Hill, NJ. Challenges in Brain-Computer Interface Development: Induction, Measurement, Decoding, Integration Invited keynote talk at the launch of BrainGain, the Dutch BCI research consortium, November 2007 (talk)

[BibTex]

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Policy Learning for Robotics

Peters, J.

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

Web [BibTex]

Peters, J. Policy Learning for Robotics 14th International Conference on Neural Information Processing (ICONIP), November 2007 (talk)

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]

Gretton, A. Hilbert Space Representations of Probability Distributions 2nd Workshop on Machine Learning and Optimization at the ISM, October 2007 (talk)

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]

Kashima, H., Yamazaki, K., Saigo, H., Inokuchi, A. Regression with Intervals International Workshop on Data-Mining and Statistical Science (DMSS2007), October 2007, JSAI Incentive Award. Talk was given by Hisashi Kashima. (talk)

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Support Vector Machine Learning for Interdependent and Structured Output Spaces

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

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

Web [BibTex]

Altun, Y., Hofmann, T., Tsochantaridis, I. Support Vector Machine Learning for Interdependent and Structured Output Spaces In Predicting Structured Data, pages: 85-104, Advances in neural information processing systems, (Editors: Bakir, G. H. , T. Hofmann, B. Schölkopf, A. J. Smola, B. Taskar, S. V. N. Vishwanathan), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

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Brisk Kernel ICA

Jegelka, S., Gretton, A.

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

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

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

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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.

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Hofmann, M., Steinke, F., Scheel, V., Brady, M., Schölkopf, B., Pichler, B. MR-Based PET Attenuation Correction: Method and Validation Joint Molecular Imaging Conference, September 2007 (talk)

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Training a Support Vector Machine in the Primal

Chapelle, O.

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

Abstract
Most literature on Support Vector Machines (SVMs) concentrate on the dual optimization problem. In this paper, we would like to point out that the primal problem can also be solved efficiently, both for linear and non-linear SVMs, and that there is no reason to ignore this possibility. On the contrary, from the primal point of view new families of algorithms for large scale SVM training can be investigated.

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

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Approximation Methods for Gaussian Process Regression

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

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

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

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Quiñonero-Candela, J., Rasmussen, CE., Williams, CKI. Approximation Methods for Gaussian Process Regression In Large-Scale Kernel Machines, pages: 203-223, Neural Information Processing, (Editors: Bottou, L. , O. Chapelle, D. DeCoste, J. Weston), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

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Density Estimation of Structured Outputs in Reproducing Kernel Hilbert Spaces

Altun, Y., Smola, A.

In Predicting Structured Data, pages: 283-300, Advances in neural information processing systems, (Editors: BakIr, G. H., T. Hofmann, B. Schölkopf, A. J. Smola, B. Taskar, S. V.N. Vishwanathan), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

Abstract
In this paper we study the problem of estimating conditional probability distributions for structured output prediction tasks in Reproducing Kernel Hilbert Spaces. More specically, we prove decomposition results for undirected graphical models, give constructions for kernels, and show connections to Gaussian Process classi- cation. Finally we present ecient means of solving the optimization problem and apply this to label sequence learning. Experiments on named entity recognition and pitch accent prediction tasks demonstrate the competitiveness of our approach.

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Altun, Y., Smola, A. Density Estimation of Structured Outputs in Reproducing Kernel Hilbert Spaces In Predicting Structured Data, pages: 283-300, Advances in neural information processing systems, (Editors: BakIr, G. H., T. Hofmann, B. Schölkopf, A. J. Smola, B. Taskar, S. V.N. Vishwanathan), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

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

Schölkopf, B., Platt, J., Hofmann, T.

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

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

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Schölkopf, B., Platt, J., Hofmann, T. Advances in Neural Information Processing Systems 19: Proceedings of the 2006 Conference Proceedings of the Twentieth Annual Conference on Neural Information Processing Systems (NIPS 2006), pages: 1690, MIT Press, Cambridge, MA, USA, 20th Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (proceedings)

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Trading Convexity for Scalability

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

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

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

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

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Bayesian methods for NMR structure determination

Habeck, M.

29th Annual Discussion Meeting: Magnetic Resonance in Biophysical Chemistry, September 2007 (talk)

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Habeck, M. Bayesian methods for NMR structure determination 29th Annual Discussion Meeting: Magnetic Resonance in Biophysical Chemistry, September 2007 (talk)

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

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

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

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Hill, N., Lal, T., Tangermann, M., Hinterberger, T., Widman, G., Elger, C., Schölkopf, B., Birbaumer, N. Classifying Event-Related Desynchronization in EEG, ECoG and MEG signals In Toward Brain-Computer Interfacing, pages: 235-260, Neural Information Processing, (Editors: G Dornhege and J del R Millán and T Hinterberger and DJ McFarland and K-R Müller), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

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Joint Kernel Maps

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

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

Web [BibTex]

Weston, J., Bakir, G., Bousquet, O., Mann, T., Noble, W., Schölkopf, B. Joint Kernel Maps In Predicting Structured Data, pages: 67-84, Advances in neural information processing systems, (Editors: GH Bakir and T Hofmann and B Schölkopf and AJ Smola and B Taskar and SVN Vishwanathan), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

Web [BibTex]