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2013


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Strain and composition dependence of orbital polarization in nickel oxide superlattices

Wu, M., Benckiser, E., Haverkort, M. W., Franco, A., Lu, J., Nwankwo, U., Brück, S., Audehm, P., Goering, E., Macke, S., Hinkov, V., Wochner, P., Christiani, G., Heinze, S., Logvenov, G., Habermeier, H., Keimer, B.

{Physical Review B}, 88, Published by the American Physical Society through the American Institute of Physics, Woodbury, NY, 2013 (article)

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DOI [BibTex]

2013


DOI [BibTex]


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Efficient focusing of 8 keV X-rays with multilayer Fresnel zone plates fabricated by atomic layer deposition and focused ion beam milling

Mayer, M., Keskinbora, K., Grévent, C., Szeghalmi, A., Knez, M., Weigand, M., Snigirev, A., Snigereva, I., Schütz, G.

{Journal of Synchrotron Radiation}, 20, pages: 433-440, Published for the International Union of Crystallography by Munksgaard, Copenhagen, Denmark, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Rapid prototyping of Fresnel zone plates via direct Ga+ ion beam lithography for high-resolution x-ray imaging

Keskinbora, K., Grévent, C., Eigenthaler, U., Weigand, M., Schütz, G.

{ACS Nano}, 7(11):9788-9797, American Chemical Society, Washington, DC, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Eine kryoflexible kovalente organische Gerüststruktur für die effiziente Trennung von Wasserstoffisotopien durch Quantensieben

Oh, H., Kalidindi, S. B., Um, Y., Bureekaew, S., Schmid, R., Fischer, R. A., Hirscher, M.

{Angewandte Chemie}, 125(50):13461-13464, Wiley-VCH Verl., Weinheim, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Ultrafast demagnetization after laser irradiation in transition metals: Ab initio calculations of the spin-flip electron-phonon scattering with reduced exchange splitting

Illg, C., Haag, M., Fähnle, M.

{Physical Review B}, 88, American Physical Society, Woodbury, NY, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Phase diagram for magnetic vortex core switching studied by ferromagnetic absorption spectroscopy and time-resolved transmission x-ray microscopy

Martens, M., Kamionka, T., Weigand, M., Stoll, H., Tyliszczak, T., Meier, G.

{Physical Review B}, 87, Published by the American Physical Society through the American Institute of Physics, Woodbury, NY, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Optimal distribution of contact forces with inverse-dynamics control

Righetti, L., Buchli, J., Mistry, M., Kalakrishnan, M., Schaal, S.

The International Journal of Robotics Research, 32(3):280-298, March 2013 (article)

Abstract
The development of legged robots for complex environments requires controllers that guarantee both high tracking performance and compliance with the environment. More specifically the control of the contact interaction with the environment is of crucial importance to ensure stable, robust and safe motions. In this contribution we develop an inverse-dynamics controller for floating-base robots under contact constraints that can minimize any combination of linear and quadratic costs in the contact constraints and the commands. Our main result is the exact analytical derivation of the controller. Such a result is particularly relevant for legged robots as it allows us to use torque redundancy to directly optimize contact interactions. For example, given a desired locomotion behavior, we can guarantee the minimization of contact forces to reduce slipping on difficult terrains while ensuring high tracking performance of the desired motion. The main advantages of the controller are its simplicity, computational efficiency and robustness to model inaccuracies. We present detailed experimental results on simulated humanoid and quadruped robots as well as a real quadruped robot. The experiments demonstrate that the controller can greatly improve the robustness of locomotion of the robots.1

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Thermodynamics as a theory of decision-making with information-processing costs

Ortega, PA, Braun, DA

Proceedings of the Royal Society of London A, 469(2153):1-18, May 2013 (article)

Abstract
Perfectly rational decision-makers maximize expected utility, but crucially ignore the resource costs incurred when determining optimal actions. Here, we propose a thermodynamically inspired formalization of bounded rational decision-making where information processing is modelled as state changes in thermodynamic systems that can be quantified by differences in free energy. By optimizing a free energy, bounded rational decision-makers trade off expected utility gains and information-processing costs measured by the relative entropy. As a result, the bounded rational decision-making problem can be rephrased in terms of well-known variational principles from statistical physics. In the limit when computational costs are ignored, the maximum expected utility principle is recovered. We discuss links to existing decision-making frameworks and applications to human decision-making experiments that are at odds with expected utility theory. Since most of the mathematical machinery can be borrowed from statistical physics, the main contribution is to re-interpret the formalism of thermodynamic free-energy differences in terms of bounded rational decision-making and to discuss its relationship to human decision-making experiments.

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DOI [BibTex]

DOI [BibTex]


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Tank-like module-based climbing robot using passive compliant joints

Seo, T., Sitti, M.

IEEE/ASME Transactions on Mechatronics, 18(1):397-408, 2013 (article)

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[BibTex]

[BibTex]


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Enhanced fabrication and characterization of gecko-inspired mushroom-tipped microfiber adhesives

Song, J., Mengüç, Y., Sitti, M.

Journal of Adhesion Science and Technology, 27(17):1921-1932, Routledge, 2013 (article)

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Project Page [BibTex]

Project Page [BibTex]


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Linear combination of one-step predictive information with an external reward in an episodic policy gradient setting: a critical analysis

Zahedi, K., Martius, G., Ay, N.

Frontiers in Psychology, 4(801), 2013 (article)

Abstract
One of the main challenges in the field of embodied artificial intelligence is the open-ended autonomous learning of complex behaviours. Our approach is to use task-independent, information-driven intrinsic motivation(s) to support task-dependent learning. The work presented here is a preliminary step in which we investigate the predictive information (the mutual information of the past and future of the sensor stream) as an intrinsic drive, ideally supporting any kind of task acquisition. Previous experiments have shown that the predictive information (PI) is a good candidate to support autonomous, open-ended learning of complex behaviours, because a maximisation of the PI corresponds to an exploration of morphology- and environment-dependent behavioural regularities. The idea is that these regularities can then be exploited in order to solve any given task. Three different experiments are presented and their results lead to the conclusion that the linear combination of the one-step PI with an external reward function is not generally recommended in an episodic policy gradient setting. Only for hard tasks a great speed-up can be achieved at the cost of an asymptotic performance lost.

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link (url) DOI [BibTex]


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Switching modes in easy and hard axis magnetic reversal in a self-assembled antidot array

Haering, F., Wiedwald, U., Nothelfer, S., Koslowski, B., Ziemann, P., Lechner, L., Wallucks, A., Lebecki, K., Nowak, U., Gräfe, J., Goering, E., Schütz, G.

{Nanotechnology}, 24, IOP Pub., Bristol, UK, 2013 (article)

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DOI Project Page [BibTex]

DOI Project Page [BibTex]


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Time-resolved imaging of nonlinear magnetic domain-wall dynamics in ferromagnetic nanowires

Stein, F.-U., Bocklage, L., Weigand, M., Meier, G.

{Scientific Reports}, 3, Nature Publishing Group, London, UK, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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A cryogenically flexible covalent organic framework for efficient hydrogen isotrope separation by quantum sieving

Oh, H., Kalidindi, S. B., Um, Y., Bureekaew, S., Schmid, R., Fischer, R. A., Hirscher, M.

{Angewandte Chemie International Edition in English}, 52(50):13219-13222, Wiley-VCH Verlag GmbH & Co. KGaA, D-69451 Weinheim, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Unexpected room-temperature ferromagnetism in bulk ZnO

Chen, Y., Goering, E., Jeurgens, L., Wang, Z., Phillipp, F., Baier, J., Tietze, T., Schütz, G.

{Applied Physics Letters}, (103), American Institute of Physics, Melville, NY, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Large-area hard magnetic L10-FePt and composite L10-FePt based nanopatterns

Goll, D., Bublat, T.

{Physica Status Solidi A-Applications and Materials Science}, 210(7):1261-1271, Wiley-VCH, Weinheim, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Wave modes of collective vortex gyration in dipolar-coupled-dot-array magnonic crystals

Han, D., Vogel, A., Jung, H., Lee, K., Weigand, M., Stoll, H., Schütz, G., Fischer, P., Meier, G., Kim, S.

{Scientific Reports}, 3, Nature Publishing Group, London, UK, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Micro-scale mobile robotics

Diller, E., Sitti, M.

Foundations and Trends in Robotics, 2(3):143-259, Now Publishers Incorporated, 2013 (article)

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[BibTex]

[BibTex]


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Survey and Introduction to the Focused Section on Bio-Inspired Mechatronics

Sitti, M., Menciassi, A., Ijspeert, A., Low, K. H., Kim, S.

Mechatronics, IEEE/ASME Transactions on, 18(2):409-418, DOI: 10.1109/TMECH.2012. 2233492, 2013 (article)

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[BibTex]

[BibTex]


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Robustness of guided self-organization against sensorimotor disruptions

Martius, G.

Advances in Complex Systems, 16(02n03):1350001, 2013 (article)

Abstract
Self-organizing processes are crucial for the development of living beings. Practical applications in robots may benefit from the self-organization of behavior, e.g.~to increase fault tolerance and enhance flexibility, provided that external goals can also be achieved. We present results on the guidance of self-organizing control by visual target stimuli and show a remarkable robustness to sensorimotor disruptions. In a proof of concept study an autonomous wheeled robot is learning an object finding and ball-pushing task from scratch within a few minutes in continuous domains. The robustness is demonstrated by the rapid recovery of the performance after severe changes of the sensor configuration.

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DOI [BibTex]

DOI [BibTex]


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Controlled Reduction with Unactuated Cyclic Variables: Application to 3D Bipedal Walking with Passive Yaw Rotation

Gregg, R., Righetti, L.

IEEE Transactions on Automatic Control, 58(10):2679-2685, October 2013 (article)

Abstract
This technical note shows that viscous damping can shape momentum conservation laws in a manner that stabilizes yaw rotation and enables steering for underactuated 3D walking. We first show that unactuated cyclic variables can be controlled by passively shaped conservation laws given a stabilizing controller in the actuated coordinates. We then exploit this result to realize controlled geometric reduction with multiple unactuated cyclic variables. We apply this underactuated control strategy to a five-link 3D biped to produce exponentially stable straight-ahead walking and steering in the presence of passive yawing.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Ferromagnetism of zinc oxide nanograined films

Straumal, B. B., Protasova, S. G., Mazilkin, A. A., Schütz, G., Goering, E., Baretzky, B., Straumal, P. B.

{Journal of Experimental and Theoretical Physics Letters}, 97(6):367-377, Pleiades Publishing, Inc., 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Hydrogen adsorption properties of platinum decorated hierarchically structured templated carbons

Oh, H., Gennett, T., Atanassov, P., Kurttepeli, M., Bals, S., Hurst, K. E., Hirscher, M.

{Microporous and Mesoporous Materials}, pages: 66-74, Elsevier, Amsterdam, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Extended s-d models for the dynamics of noncollinear magnetization: Short review of two different approaches

Fähnle, M., Zhang, S.

{Journal of Magnetism and Magnetic Materials}, 326, pages: 232-234, NH, Elsevier, Amsterdam, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Correlation between spin structure oscillations and domain wall velocities

Bisig, A., Stärk, M., Mawass, M., Moutafis, C., Rhensius, J., Heidler, J., Büttner, F., Noske, M., Weigand, M., Eisebitt, S., Tyliszczak, T., Van Wayenberge, B., Stoll, H., Schütz, G., Kläui, M.

{Nature Communications}, 4, Nature Publishing Group, London, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Recent advances in use of atomic layer deposition and focused ion beams for fabrication of Fresnel zone plates for hard x-rays

Keskinbora, K., Robisch, A., Mayer, M., Grévent, C., Szeghalmi, A. V., Knez, M., Weigand, M., Snigireva, I., Snigirev, A., Salditt, T., Schütz, G.

{Proceedings of SPIE (The International Society for Optical Engineering)}, 8851, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Magnetic states in low-pinning high-anisotropy material nanostructures suitable for dynamic imaging

Büttner, F., Moutafis, C., Bisig, A., Wohlhüter, P., Günther, C. M., Mohanty, J., Geilhufe, J., Schneider, M., v. Korff Schmising, C., Schaffert, S., Pfau, B., Hantschmann, M., Riemeier, M., Emmel, M., Finizio, S., Jakob, G., Weigand, M., Rhensius, J., Franken, J. H., Lavrijsen, R., Swagten, H. J. M., Stoll, H., Eisebitt, S., Kläui, M.

{Physical Review B}, 87, Published by the American Physical Society through the American Institute of Physics, Woodbury, NY, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Experimental and theoretical study of D2/H2 quantum sieving in a carbon molecular sieve

Gotzias, A., Charalambopoulou, G., Ampoumogli, A., Krkljus, I., Hirscher, M., Steriotis, T.

{Adsorption}, 19(2-4):373-379, Springer Science+Business Media, New York, 2013 (article)

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DOI [BibTex]

DOI [BibTex]


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Non-parametric hand pose estimation with object context

Romero, J., Kjellström, H., Ek, C. H., Kragic, D.

Image and Vision Computing , 31(8):555 - 564, 2013 (article)

Abstract
In the spirit of recent work on contextual recognition and estimation, we present a method for estimating the pose of human hands, employing information about the shape of the object in the hand. Despite the fact that most applications of human hand tracking involve grasping and manipulation of objects, the majority of methods in the literature assume a free hand, isolated from the surrounding environment. Occlusion of the hand from grasped objects does in fact often pose a severe challenge to the estimation of hand pose. In the presented method, object occlusion is not only compensated for, it contributes to the pose estimation in a contextual fashion; this without an explicit model of object shape. Our hand tracking method is non-parametric, performing a nearest neighbor search in a large database (.. entries) of hand poses with and without grasped objects. The system that operates in real time, is robust to self occlusions, object occlusions and segmentation errors, and provides full hand pose reconstruction from monocular video. Temporal consistency in hand pose is taken into account, without explicitly tracking the hand in the high-dim pose space. Experiments show the non-parametric method to outperform other state of the art regression methods, while operating at a significantly lower computational cost than comparable model-based hand tracking methods.

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Publisher site pdf link (url) [BibTex]

Publisher site pdf link (url) [BibTex]

2008


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Modelling contrast discrimination data suggest both the pedestal effect and stochastic resonance to be caused by the same mechanism

Goris, R., Wagemans, J., Wichmann, F.

Journal of Vision, 8(15):1-21, November 2008 (article)

Abstract
Computational models of spatial vision typically make use of a (rectified) linear filter, a nonlinearity and dominant late noise to account for human contrast discrimination data. Linear–nonlinear cascade models predict an improvement in observers' contrast detection performance when low, subthreshold levels of external noise are added (i.e., stochastic resonance). Here, we address the issue whether a single contrast gain-control model of early spatial vision can account for both the pedestal effect, i.e., the improved detectability of a grating in the presence of a low-contrast masking grating, and stochastic resonance. We measured contrast discrimination performance without noise and in both weak and moderate levels of noise. Making use of a full quantitative description of our data with few parameters combined with comprehensive model selection assessments, we show the pedestal effect to be more reduced in the presence of weak noise than in moderate noise. This reduction rules out independent, additive sources of performance improvement and, together with a simulation study, supports the parsimonious explanation that a single mechanism underlies the pedestal effect and stochastic resonance in contrast perception.

ei

Web DOI [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.

ei

PDF [BibTex]

PDF [BibTex]


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gBoost: A Mathematical Programming Approach to Graph Classification and Regression

Saigo, H., Nowozin, S., Kadowaki, T., Kudo, T., Tsuda, K.

Machine Learning, 75(1):69-89, November 2008 (article)

Abstract
Graph mining methods enumerate frequently appearing subgraph patterns, which can be used as features for subsequent classification or regression. However, frequent patterns are not necessarily informative for the given learning problem. We propose a mathematical programming boosting method (gBoost) that progressively collects informative patterns. Compared to AdaBoost, gBoost can build the prediction rule with fewer iterations. To apply the boosting method to graph data, a branch-and-bound pattern search algorithm is developed based on the DFS code tree. The constructed search space is reused in later iterations to minimize the computation time. Our method can learn more efficiently than the simpler method based on frequent substructure mining, because the output labels are used as an extra information source for pruning the search space. Furthermore, by engineering the mathematical program, a wide range of machine learning problems can be solved without modifying the pattern search algorithm.

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Machine Learning for Motor Skills in Robotics

Peters, J.

K{\"u}nstliche Intelligenz, 2008(4):41-43, November 2008 (article)

Abstract
Autonomous robots that can adapt to novel situations has been a long standing vision of robotics, artificial intelligence, and the cognitive sciences. Early approaches to this goal during the heydays of artificial intelligence research in the late 1980s, however, made it clear that an approach purely based on reasoning or human insights would not be able to model all the perceptuomotor tasks of future robots. Instead, new hope was put in the growing wake of machine learning that promised fully adaptive control algorithms which learn both by observation and trial-and-error. However, to date, learning techniques have yet to fulfill this promise as only few methods manage to scale into the high-dimensional domains of manipulator and humanoid robotics and usually scaling was only achieved in precisely pre-structured domains. We have investigated the ingredients for a general approach to motor skill learning in order to get one step closer towards human-like performance. For doing so, we study two major components for such an approach, i.e., firstly, a theoretically well-founded general approach to representing the required control structures for task representation and execution and, secondly, appropriate learning algorithms which can be applied in this setting.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Kernels, Regularization and Differential Equations

Steinke, F., Schölkopf, B.

Pattern Recognition, 41(11):3271-3286, November 2008 (article)

Abstract
Many common machine learning methods such as Support Vector Machines or Gaussian process inference make use of positive definite kernels, reproducing kernel Hilbert spaces, Gaussian processes, and regularization operators. In this work these objects are presented in a general, unifying framework, and interrelations are highlighted. With this in mind we then show how linear stochastic differential equation models can be incorporated naturally into the kernel framework. And vice versa, many kernel machines can be interpreted in terms of differential equations. We focus especially on ordinary differential equations, also known as dynamical systems, and it is shown that standard kernel inference algorithms are equivalent to Kalman filter methods based on such models. In order not to cloud qualitative insights with heavy mathematical machinery, we restrict ourselves to finite domains, implying that differential equations are treated via their corresponding finite difference equations.

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PDF DOI [BibTex]

PDF DOI [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.

ei

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.

ei

PDF [BibTex]

PDF [BibTex]


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Mixture Models for Protein Structure Ensembles

Hirsch, M., Habeck, M.

Bioinformatics, 24(19):2184-2192, October 2008 (article)

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Structure of the human voltage-dependent anion channel

Bayrhuber, M., Meins, T., Habeck, M., Becker, S., Giller, K., Villinger, S., Vonrhein, C., Griesinger, C., Zweckstetter, M., Zeth, K.

Proceedings of the National Academy of Sciences of the United States of America, 105(40):15370-15375, October 2008 (article)

Abstract
The voltage-dependent anion channel (VDAC), also known as mitochondrial porin, is the most abundant protein in the mitochondrial outer membrane (MOM). VDAC is the channel known to guide the metabolic flux across the MOM and plays a key role in mitochondrially induced apoptosis. Here, we present the 3D structure of human VDAC1, which was solved conjointly by NMR spectroscopy and x-ray crystallography. Human VDAC1 (hVDAC1) adopts a β-barrel architecture composed of 19 β-strands with an α-helix located horizontally midway within the pore. Bioinformatic analysis indicates that this channel architecture is common to all VDAC proteins and is adopted by the general import pore TOM40 of mammals, which is also located in the MOM.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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MRI-Based Attenuation Correction for PET/MRI: A Novel Approach Combining Pattern Recognition and Atlas Registration

Hofmann, M., Steinke, F., Scheel, V., Charpiat, G., Farquhar, J., Aschoff, P., Brady, M., Schölkopf, B., Pichler, B.

Journal of Nuclear Medicine, 49(11):1875-1883, October 2008 (article)

Abstract
For quantitative PET information, correction of tissue photon attenuation is mandatory. Generally in conventional PET, the attenuation map is obtained from a transmission scan, which uses a rotating radionuclide source, or from the CT scan in a combined PET/CT scanner. In the case of PET/MRI scanners currently under development, insufficient space for the rotating source exists; the attenuation map can be calculated from the MR image instead. This task is challenging because MR intensities correlate with proton densities and tissue-relaxation properties, rather than with attenuation-related mass density. METHODS: We used a combination of local pattern recognition and atlas registration, which captures global variation of anatomy, to predict pseudo-CT images from a given MR image. These pseudo-CT images were then used for attenuation correction, as the process would be performed in a PET/CT scanner. RESULTS: For human brain scans, we show on a database of 17 MR/CT image pairs that our method reliably enables e stimation of a pseudo-CT image from the MR image alone. On additional datasets of MRI/PET/CT triplets of human brain scans, we compare MRI-based attenuation correction with CT-based correction. Our approach enables PET quantification with a mean error of 3.2% for predefined regions of interest, which we found to be clinically not significant. However, our method is not specific to brain imaging, and we show promising initial results on 1 whole-body animal dataset. CONCLUSION: This method allows reliable MRI-based attenuation correction for human brain scans. Further work is necessary to validate the method for whole-body imaging.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Support Vector Machines and Kernels for Computational Biology

Ben-Hur, A., Ong, C., Sonnenburg, S., Schölkopf, B., Rätsch, G.

PLoS Computational Biology, 4(10: e1000173):1-10, October 2008 (article)

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PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Approximations for Binary Gaussian Process Classification

Nickisch, H., Rasmussen, C.

Journal of Machine Learning Research, 9, pages: 2035-2078, October 2008 (article)

Abstract
We provide a comprehensive overview of many recent algorithms for approximate inference in Gaussian process models for probabilistic binary classification. The relationships between several approaches are elucidated theoretically, and the properties of the different algorithms are corroborated by experimental results. We examine both 1) the quality of the predictive distributions and 2) the suitability of the different marginal likelihood approximations for model selection (selecting hyperparameters) and compare to a gold standard based on MCMC. Interestingly, some methods produce good predictive distributions although their marginal likelihood approximations are poor. Strong conclusions are drawn about the methods: The Expectation Propagation algorithm is almost always the method of choice unless the computational budget is very tight. We also extend existing methods in various ways, and provide unifying code implementing all approaches.

ei

PDF PDF [BibTex]

PDF PDF [BibTex]


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Accurate NMR Structures Through Minimization of an Extended Hybrid Energy

Nilges, M., Bernard, A., Bardiaux, B., Malliavin, T., Habeck, M., Rieping, W.

Structure, 16(9):1305-1312, September 2008 (article)

Abstract
The use of generous distance bounds has been the hallmark of NMR structure determination. However, bounds necessitate the estimation of data quality before the calculation, reduce the information content, introduce human bias, and allow for major errors in the structures. Here, we propose a new rapid structure calculation scheme based on Bayesian analysis. The minimization of an extended energy function, including a new type of distance restraint and a term depending on the data quality, results in an estimation of the data quality in addition to coordinates. This allows for the determination of the optimal weight on the experimental information. The resulting structures are of better quality and closer to the X–ray crystal structure of the same molecule. With the new calculation approach, the analysis of discrepancies from the target distances becomes meaningful. The strategy may be useful in other applications—for example, in homology modeling.

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Similarity, Kernels, and the Triangle Inequality

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

Journal of Mathematical Psychology, 52(5):297-303, September 2008 (article)

Abstract
Similarity is used as an explanatory construct throughout psychology and multidimensional scaling (MDS) is the most popular way to assess similarity. In MDS, similarity is intimately connected to the idea of a geometric representation of stimuli in a perceptual space. Whilst connecting similarity and closeness of stimuli in a geometric representation may be intuitively plausible, Tversky and Gati [Tversky, A., Gati, I. (1982). Similarity, separability, and the triangle inequality. Psychological Review, 89(2), 123–154] have reported data which are inconsistent with the usual geometric representations that are based on segmental additivity. We show that similarity measures based on Shepard’s universal law of generalization [Shepard, R. N. (1987). Toward a universal law of generalization for psychologica science. Science, 237(4820), 1317–1323] lead to an inner product representation in a reproducing kernel Hilbert space. In such a space stimuli are represented by their similarity to all other stimuli. This representation, based on Shepard’s law, has a natural metric that does not have additive segments whilst still retaining the intuitive notion of connecting similarity and distance between stimuli. Furthermore, this representation has the psychologically appealing property that the distance between stimuli is bounded.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Comparison of Pattern Recognition Methods in Classifying High-resolution BOLD Signals Obtained at High Magnetic Field in Monkeys

Ku, S., Gretton, A., Macke, J., Logothetis, N.

Magnetic Resonance Imaging, 26(7):1007-1014, September 2008 (article)

Abstract
Pattern recognition methods have shown that functional magnetic resonance imaging (fMRI) data can reveal significant information about brain activity. For example, in the debate of how object categories are represented in the brain, multivariate analysis has been used to provide evidence of a distributed encoding scheme [Science 293:5539 (2001) 2425–2430]. Many follow-up studies have employed different methods to analyze human fMRI data with varying degrees of success [Nature reviews 7:7 (2006) 523–534]. In this study, we compare four popular pattern recognition methods: correlation analysis, support-vector machines (SVM), linear discriminant analysis (LDA) and Gaussian naïve Bayes (GNB), using data collected at high field (7 Tesla) with higher resolution than usual fMRI studies. We investigate prediction performance on single trials and for averages across varying numbers of stimulus presentations. The performance of the various algorithms depends on the nature of the brain activity being categorized: for several tasks, many of the methods work well, whereas for others, no method performs above chance level. An important factor in overall classification performance is careful preprocessing of the data, including dimensionality reduction, voxel selection and outlier elimination.

ei

PDF Web DOI [BibTex]

PDF Web DOI [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)

ei

PDF [BibTex]

PDF [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.

ei

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PDF [BibTex]


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A Single-shot Measurement of the Energy of Product States in a Translation Invariant Spin Chain Can Replace Any Quantum Computation

Janzing, D., Wocjan, P., Zhang, S.

New Journal of Physics, 10(093004):1-18, September 2008 (article)

Abstract
In measurement-based quantum computation, quantum algorithms are implemented via sequences of measurements. We describe a translationally invariant finite-range interaction on a one-dimensional qudit chain and prove that a single-shot measurement of the energy of an appropriate computational basis state with respect to this Hamiltonian provides the output of any quantum circuit. The required measurement accuracy scales inverse polynomially with the size of the simulated quantum circuit. This shows that the implementation of energy measurements on generic qudit chains is as hard as the realization of quantum computation. Here, a ‘measurement‘ is any procedure that samples from the spectral measurement induced by the observable and the state under consideration. As opposed to measurement-based quantum computation, the post-measurement state is irrelevant.

ei

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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.

ei

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PDF [BibTex]


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Voluntary Brain Regulation and Communication with ECoG-Signals

Hinterberger, T., Widmann, G., Lal, T., Hill, J., Tangermann, M., Rosenstiel, W., Schölkopf, B., Elger, C., Birbaumer, N.

Epilepsy and Behavior, 13(2):300-306, August 2008 (article)

Abstract
Brain–computer interfaces (BCIs) can be used for communication in writing without muscular activity or for learning to control seizures by voluntary regulation of brain signals such as the electroencephalogram (EEG). Three of five patients with epilepsy were able to spell their names with electrocorticogram (ECoG) signals derived from motor-related areas within only one or two training sessions. Imagery of finger or tongue movements was classified with support-vector classification of autoregressive coefficients derived from the ECoG signals. After training of the classifier, binary classification responses were used to select letters from a computer-generated menu. Offline analysis showed increased theta activity in the unsuccessful patients, whereas the successful patients exhibited dominant sensorimotor rhythms that they could control. The high spatial resolution and increased signal-to-noise ratio in ECoG signals, combined with short training periods, may offer an alternative for communication in complete paralysis, locked-in syndrome, and motor restoration.

ei

PDF DOI [BibTex]

PDF DOI [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.

ei

PDF [BibTex]

PDF [BibTex]