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2019


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Convolutional neural networks: A magic bullet for gravitational-wave detection?

Gebhard, T., Kilbertus, N., Harry, I., Schölkopf, B.

Physical Review D, 100(6):063015, American Physical Society, September 2019 (article)

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link (url) DOI [BibTex]

2019


link (url) DOI [BibTex]


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Data scarcity, robustness and extreme multi-label classification

Babbar, R., Schölkopf, B.

Machine Learning, 108(8):1329-1351, September 2019, Special Issue of the ECML PKDD 2019 Journal Track (article)

ei

DOI [BibTex]

DOI [BibTex]


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X-ray Optics Fabrication Using Unorthodox Approaches

Sanli, U., Baluktsian, M., Ceylan, H., Sitti, M., Weigand, M., Schütz, G., Keskinbora, K.

Bulletin of the American Physical Society, APS, 2019 (article)

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[BibTex]

[BibTex]


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Nanoscale detection of spin wave deflection angles in permalloy

Gross, F., Träger, N., Förster, J., Weigand, M., Schütz, G., Gräfe, J.

{Applied Physics Letters}, 114(1), American Institute of Physics, Melville, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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A 32-channel multi-coil setup optimized for human brain shimming at 9.4T

Aghaeifar, A., Zhou, J., Heule, R., Tabibian, B., Schölkopf, B., Jia, F., Zaitsev, M., Scheffler, K.

Magnetic Resonance in Medicine, 2019, (Early View) (article)

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DOI [BibTex]

DOI [BibTex]


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Generation of switchable singular beams with dynamic metasurfaces

Yu, P., Li, J., Li, X., Schütz, G., Hirscher, M., Zhang, S., Liu, N.

{ACS Nano}, 13(6):7100-7106, American Chemical Society, Washington, DC, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Extracting the dynamic magnetic contrast in time-resolved X-ray transmission microscopy

Schaffers, T., Feggeler, T., Pile, S., Meckenstock, R., Buchner, M., Spoddig, D., Ney, V., Farle, M., Wende, H., Wintz, S., Weigand, M., Ohldag, H., Ollefs, K, Ney, A.

{Nanomaterials}, 9(7), MDPI, Basel, Schweiz, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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gFORC: A graphics processing unit accelerated first-order reversal-curve calculator

Groß, F., Mart\’\inez-Garc\’\ia, J. C., Ilse, S. E., Schütz, G., Goering, E., Rivas, M., Gräfe, J.

{Journal of Applied Physics}, 126(16), AIP Publishing, New York, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Piezo-electrical control of gyration dynamics of magnetic vortices

Filianina, M., Baldrati, L., Hajiri, T., Litzius, K., Foerster, M., Aballe, L., Kläui, M.

{Applied Physics Letters}, 115(6), American Institute of Physics, Melville, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Enhancing Human Learning via Spaced Repetition Optimization

Tabibian, B., Upadhyay, U., De, A., Zarezade, A., Schölkopf, B., Gomez Rodriguez, M.

Proceedings of the National Academy of Sciences, 2019, PNAS published ahead of print January 22, 2019 (article)

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DOI Project Page Project Page [BibTex]

DOI Project Page Project Page [BibTex]


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Learning to Control Highly Accelerated Ballistic Movements on Muscular Robots

Büchler, D., Calandra, R., Peters, J.

2019 (article) Submitted

Abstract
High-speed and high-acceleration movements are inherently hard to control. Applying learning to the control of such motions on anthropomorphic robot arms can improve the accuracy of the control but might damage the system. The inherent exploration of learning approaches can lead to instabilities and the robot reaching joint limits at high speeds. Having hardware that enables safe exploration of high-speed and high-acceleration movements is therefore desirable. To address this issue, we propose to use robots actuated by Pneumatic Artificial Muscles (PAMs). In this paper, we present a four degrees of freedom (DoFs) robot arm that reaches high joint angle accelerations of up to 28000 °/s^2 while avoiding dangerous joint limits thanks to the antagonistic actuation and limits on the air pressure ranges. With this robot arm, we are able to tune control parameters using Bayesian optimization directly on the hardware without additional safety considerations. The achieved tracking performance on a fast trajectory exceeds previous results on comparable PAM-driven robots. We also show that our system can be controlled well on slow trajectories with PID controllers due to careful construction considerations such as minimal bending of cables, lightweight kinematics and minimal contact between PAMs and PAMs with the links. Finally, we propose a novel technique to control the the co-contraction of antagonistic muscle pairs. Experimental results illustrate that choosing the optimal co-contraction level is vital to reach better tracking performance. Through the use of PAM-driven robots and learning, we do a small step towards the future development of robots capable of more human-like motions.

ei

Arxiv Video [BibTex]


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Coherent excitation of heterosymmetric spin waves with ultrashort wavelengths

Dieterle, G., Förster, J., Stoll, H., Semisalova, A. S., Finizio, S., Gangwar, A., Weigand, M., Noske, M., Fähnle, M., Bykova, I., Gräfe, J., Bozhko, D. A., Musiienko-Shmarova, H. Y., Tiberkevich, V., Slavin, A. N., Back, C. H., Raabe, J., Schütz, G., Wintz, S.

{Physical Review Letters}, 122(11), American Physical Society, Woodbury, N.Y., 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Autonomous Identification and Goal-Directed Invocation of Event-Predictive Behavioral Primitives

Gumbsch, C., Butz, M. V., Martius, G.

IEEE Transactions on Cognitive and Developmental Systems, 2019 (article)

Abstract
Voluntary behavior of humans appears to be composed of small, elementary building blocks or behavioral primitives. While this modular organization seems crucial for the learning of complex motor skills and the flexible adaption of behavior to new circumstances, the problem of learning meaningful, compositional abstractions from sensorimotor experiences remains an open challenge. Here, we introduce a computational learning architecture, termed surprise-based behavioral modularization into event-predictive structures (SUBMODES), that explores behavior and identifies the underlying behavioral units completely from scratch. The SUBMODES architecture bootstraps sensorimotor exploration using a self-organizing neural controller. While exploring the behavioral capabilities of its own body, the system learns modular structures that predict the sensorimotor dynamics and generate the associated behavior. In line with recent theories of event perception, the system uses unexpected prediction error signals, i.e., surprise, to detect transitions between successive behavioral primitives. We show that, when applied to two robotic systems with completely different body kinematics, the system manages to learn a variety of complex behavioral primitives. Moreover, after initial self-exploration the system can use its learned predictive models progressively more effectively for invoking model predictive planning and goal-directed control in different tasks and environments.

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arXiv PDF video link (url) DOI Project Page [BibTex]


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Reprogrammability and Scalability of Magnonic Fibonacci Quasicrystals

Lisiecki, F., Rychły, J., Kuświk, P., Głowiński, H., Kłos, J. W., Groß, F., Bykova, I., Weigand, M., Zelent, M., Goering, E. J., Schütz, G., Gubbiotti, G., Krawczyk, M., Stobiecki, F., Dubowik, J., Gräfe, J.

Physical Review Applied, 11, pages: 054003, 2019 (article)

Abstract
Magnonic crystals are systems that can be used to design and tune the dynamic properties of magnetization. Here, we focus on one-dimensional Fibonacci magnonic quasicrystals. We confirm the existence of collective spin waves propagating through the structure as well as dispersionless modes; the reprogammability of the resonance frequencies, dependent on the magnetization order; and dynamic spin-wave interactions. With the fundamental understanding of these properties, we lay a foundation for the scalable and advanced design of spin-wave band structures for spintronic, microwave, and magnonic applications.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Coordinated molecule-modulated magnetic phase with metamagnetism in metal-organic frameworks

Son, K., Kim, J. Y., Schütz, G., Kang, S. G., Moon, H. R., Oh, H.

{Inorganic Chemistry}, 58(14):8895-8899, American Chemical Society, Washington, DC, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Scaling of intrinsic domain wall magnetoresistance with confinement in electromigrated nanocontacts

Reeve, R. M., Loescher, A., Kazemi, H., Dupé, B., Mawass, M., Winkler, T., Schönke, D., Miao, J., Litzius, K., Sedlmayr, N., Schneider, I., Sinova, J., Eggert, S., Kläui, M.

{Physical Review B}, 99(21), American Physical Society, Woodbury, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Inferring causation from time series with perspectives in Earth system sciences

Runge, J., Bathiany, S., Bollt, E., Camps-Valls, G., Coumou, D., Deyle, E., Glymour, C., Kretschmer, M., Mahecha, M., van Nes, E., Peters, J., Quax, R., Reichstein, M., Scheffer, M. S. B., Spirtes, P., Sugihara, G., Sun, J., Zhang, K., Zscheischler, J.

Nature Communications, 2019 (article) In revision

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[BibTex]

[BibTex]


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Machine Learning for Haptics: Inferring Multi-Contact Stimulation From Sparse Sensor Configuration

Sun, H., Martius, G.

Frontiers in Neurorobotics, 13, pages: 51, 2019 (article)

Abstract
Robust haptic sensation systems are essential for obtaining dexterous robots. Currently, we have solutions for small surface areas such as fingers, but affordable and robust techniques for covering large areas of an arbitrary 3D surface are still missing. Here, we introduce a general machine learning framework to infer multi-contact haptic forces on a 3D robot’s limb surface from internal deformation measured by only a few physical sensors. The general idea of this framework is to predict first the whole surface deformation pattern from the sparsely placed sensors and then to infer number, locations and force magnitudes of unknown contact points. We show how this can be done even if training data can only be obtained for single-contact points using transfer learning at the example of a modified limb of the Poppy robot. With only 10 strain-gauge sensors we obtain a high accuracy also for multiple-contact points. The method can be applied to arbitrarily shaped surfaces and physical sensor types, as long as training data can be obtained.

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link (url) DOI [BibTex]


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Magnons in a Quasicrystal: Propagation, Extinction, and Localization of Spin Waves in Fibonacci Structures

Lisiecki, F., Rychły, J., Kuświk, P., Głowiński, H., Kłos, J. W., Groß, F., Träger, N., Bykova, I., Weigand, M., Zelent, M., Goering, E. J., Schütz, G., Krawczyk, M., Stobiecki, F., Dubowik, J., Gräfe, J.

Physical Review Applied, 11, pages: 054061, 2019 (article)

Abstract
Magnonic quasicrystals exceed the possibilities of spin-wave (SW) manipulation offered by regular magnonic crystals, because of their more complex SW spectra with fractal characteristics. Here, we report the direct x-ray microscopic observation of propagating SWs in a magnonic quasicrystal, consisting of dipolar coupled permalloy nanowires arranged in a one-dimensional Fibonacci sequence. SWs from the first and second band as well as evanescent waves from the band gap between them are imaged. Moreover, additional mini band gaps in the spectrum are demonstrated, directly indicating an influence of the quasiperiodicity of the system. Finally, the localization of SW modes within the Fibonacci crystal is shown. The experimental results are interpreted using numerical calculations and we deduce a simple model to estimate the frequency position of the magnonic gaps in quasiperiodic structures. The demonstrated features of SW spectra in one-dimensional magnonic quasicrystals allow utilizing this class of metamaterials for magnonics and make them an ideal basis for future applications.

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link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Structural and magnetic properties of FePt-Tb alloy thin films

Schmidt, N. Y., Laureti, S., Radu, F., Ryll, H., Luo, C., d\textquotesingleAcapito, F., Tripathi, S., Goering, E., Weller, D., Albrecht, M.

{Physical Review B}, 100(6), American Physical Society, Woodbury, NY, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Tunable perpendicular exchange bias in oxide heterostructures

Kim, G., Khaydukov, Y., Bluschke, M., Suyolcu, Y. E., Christiani, G., Son, K., Dietl, C., Keller, T., Weschke, E., van Aken, P. A., Logvenov, G., Keimer, B.

{Physical Review Materials}, 3(8), American Physical Society, College Park, MD, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Interpreting first-order reversal curves beyond the Preisach model: An experimental permalloy microarray investigation

Groß, F., Ilse, S. E., Schütz, G., Gräfe, J., Goering, E.

{Physical Review B}, 99(6), American Physical Society, Woodbury, NY, 2019 (article)

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DOI [BibTex]


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Bistability of magnetic states in Fe-Pd nanocap arrays

Aravind, P. B., Heigl, M., Fix, M., Groß, F., Gräfe, J., Mary, A., Rajgowrav, C. R., Krupiński, M., Marszałek, M., Thomas, S., Anantharaman, M. R., Albrecht, M.

Nanotechnology, 30, pages: 405705, 2019 (article)

Abstract
Magnetic bistability between vortex and single domain states in nanostructures are of great interest from both fundamental and technological perspectives. In soft magnetic nanostructures, the transition from a uniform collinear magnetic state to a vortex state (or vice versa) induced by a magnetic field involves an energy barrier. If the thermal energy is large enough for overcoming this energy barrier, magnetic bistability with a hysteresis-free switching occurs between the two magnetic states. In this work, we tune this energy barrier by tailoring the composition of FePd alloys, which were deposited onto self-assembled particle arrays forming magnetic vortex structures on top of the particles. The bifurcation temperature, where a hysteresis-free transition occurs, was extracted from the temperature dependence of the annihilation and nucleation field which increases almost linearly with Fe content of the magnetic alloy. This study provides insights into the magnetization reversal process associated with magnetic bistability, which allows adjusting the bifurcation temperature range by the material properties of the nanosystem.

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link (url) [BibTex]

link (url) [BibTex]


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An international laboratory comparison study of volumetric and gravimetric hydrogen adsorption measurements

Hurst, K. E., Gennett, T., Adams, J., Allendorf, M. D., Balderas-Xicohténcatl, R., Bielewski, M., Edwards, B., Espinal, L., Fultz, B., Hirscher, M., Hudson, M. S. L., Hulvey, Z., Latroche, M., Liu, D., Kapelewski, M., Napolitano, E., Perry, Z. T., Purewal, J., Stavila, V., Veenstra, M., White, J. L., Yuan, Y., Zhou, H., Zlotea, C., Parilla, P.

{ChemPhysChem}, 20(15):1997-2009, Wiley-VCH, Weinheim, Germany, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Superior magnetic performance in FePt L10 nanomaterials

Son, K., Ryu, G. H., Jeong, H., Fink, L., Merz, M., Nagel, P., Schuppler, S., Richter, G., Goering, E., Schütz, G.

{Small}, 15(34), Wiley, Weinheim, Germany, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Vizualizing nanoscale spin waves using MAXYMUS

Gräfe, J., Weigand, M., Van Waeyenberge, B., Gangwar, A., Groß, F., Lisiecki, F., Rychly, J., Stoll, H., Träger, N., Förster, J., Stobiecki, F., Dubowik, J., Klos, H., Krwaczyk, M., Back, C. H., Goering, E. J., Schütz, G.

{Proceedings of SPIE}, 11090, SPIE, Bellingham, Washington, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Systematic experimental study on quantum sieving of hydrogen isotopes in metal-amide-imidazolate frameworks with narrow 1-D channels

Mondal, S. S., Kreuzer, A., Behrens, K., Schütz, G., Holdt, H., Hirscher, M.

{ChemPhysChem}, 20(10):1311-1315, Wiley-VCH, Weinheim, Germany, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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The route to supercurrent transparent ferromagnetic barriers in superconducting matrix

Ivanov, Y. P., Soltan, S., Albrecht, J., Goering, E., Schütz, G., Zhang, Z., Chuvilin, A.

{ACS Nano}, 13(5):5655-5661, American Chemical Society, Washington, DC, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Eigendecompositions of Transfer Operators in Reproducing Kernel Hilbert Spaces

Klus, S., Schuster, I., Muandet, K.

Journal of Nonlinear Science, 2019, First Online: 21 August 2019 (article)

ei

DOI [BibTex]

DOI [BibTex]


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Artifacts from manganese reduction in rock samples prepared by focused ion beam (FIB) slicing for X-ray microspectroscopy

Macholdt, D. S., Förster, J., Müller, M., Weber, B., Kappl, M., Kilcoyne, A. L. D., Weigand, M., Leitner, J., Jochum, K. P., Pöhlker, C., Andreae, M. O.

{Geoscientific instrumentation, methods and data systems}, 8(1):97-111, Copernicus Publ., Göttingen, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Magnetic field dependence of mangetotransport properties of MgB2/CrO2 bilayer thin films

Alzayed, N. S., Shahabuddin, M., Ramey, S. M., Soltan, S.

{Journal of Superconductivity and Novel Magnetism}, 32(8):2447-2455, Springer Science + Business Media B.V., New York, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Mixed-state magnetotransport properties of MgB2 thin film prepared by pulsed laser deposition on an Al2O3 substrate

Alzayed, N. S., Shahabuddin, M., Ramey, S. M., Soltan, S.

{Journal of Materials Science: Materials in Electronics}, 30(2):1547-1552, Springer, Norwell, MA, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Comparison of theories of fast and ultrafast magnetization dynamics

Fähnle, M.

{Journal of Magnetism and Magnetic Materials}, 469, pages: 28-29, NH, Elsevier, Amsterdam, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Concepts for improving hydrogen storage in nanoporous materials

Broom, D. P., Webb, C. J., Fanourgakis, G. S., Froudakis, G. E., Trikalitis, P. N., Hirscher, M.

{International Journal of Hydrogen Energy}, 44(15):7768-7779, Elsevier, Amsterdam, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Controlling dislocation nucleation-mediatd plasticity in nanostructures via surface modification

Shin, J., Chen, L. Y., Sanli, U. T., Richter, G., Labat, S., Richard, M., Cornelius, T., Thomas, O., Gianola, D. S.

{Acta Materialia}, 166, pages: 572-586, Elsevier Science, Kidlington, 2019 (article)

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DOI [BibTex]

DOI [BibTex]


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Reprogrammability and scalability of magnonic Fibonacci quasicrystals

Lisiecki, F., Rychly, J., Kuswik, P., Glowinski, H., Klos, J. W., Groß, F., Bykova, I., Weigand, M., Zelent, M., Goering, E. J., Schütz, G., Gubbiotti, G., Krawczyk, M., Stobiecki, F., Dubowik, J., Gräfe, J.

{Physical Review Applied}, 11(5), American Physical Society, College Park, Md. [u.a.], 2019 (article)

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DOI [BibTex]

DOI [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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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.

ei

PDF DOI [BibTex]

PDF DOI [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)

ei

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.

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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.

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PDF Web DOI [BibTex]