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2009


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Reconstruction of historic alloys for pipe organs brings true Baroque music back to life

Baretzky, B., Friesel, M., Straumal, B.

{Japan Organist}, 36, pages: 29-38, 2009 (article)

mms

[BibTex]

2009


[BibTex]


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Exchange-coupled L10-FePt/Fe composite patterns with perpendicular magnetization

Breitling, A., Bublat, T., Goll, D.

{Physica Status Solidi - Rapid Research Letters}, 3(5):130-132, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Proton NMR studies of the NaAlH4 structure

Valiente-Banuet, L. E., Majer, G., Müller, K.

{Journal of Magnetic Resonance}, 200, pages: 280-284, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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The SL simulation and real-time control software package

Schaal, S.

University of Southern California, Los Angeles, CA, 2009, clmc (techreport)

Abstract
SL was originally developed as a Simulation Laboratory software package to allow creating complex rigid-body dynamics simulations with minimal development times. It was meant to complement a real-time robotics setup such that robot programs could first be debugged in simulation before trying them on the actual robot. For this purpose, the motor control setup of SL was copied from our experience with real-time robot setups with vxWorks (Windriver Systems, Inc.)â??indeed, more than 90% of the code is identical to the actual robot software, as will be explained later in detail. As a result, SL is divided into three software components: 1) the generic code that is shared by the actual robot and the simulation, 2) the robot specific code, and 3) the simulation specific code. The robot specific code is tailored to the robotic environments that we have experienced over the years, in particular towards VME-based multi-processor real-time operating systems. The simulation specific code has all the components for OpenGL graphics simulations and mimics the robot multi-processor environment in simple C-code. Importantly, SL can be used stand-alone for creating graphics an-imationsâ??the heritage from real-time robotics does not restrict the complexity of possible simulations. This technical report describes SL in detail and can serve as a manual for new users of SL.

am

link (url) [BibTex]

link (url) [BibTex]


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A scaled bilateral control system for experimental one-dimensional teleoperated nanomanipulation

Onal, C. D., Sitti, M.

The International Journal of Robotics Research, 28(4):484-497, Sage Publications, 2009 (article)

pi

[BibTex]

[BibTex]


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A Swallowable Tethered Capsule Endoscope for Diagnosing Barrett’s Esophagus

Glass, P., Sitti, M., Pennathur, A., Appasamy, R.

Gastrointestinal Endoscopy, 69(5):AB106, Mosby, 2009 (article)

pi

Project Page [BibTex]

Project Page [BibTex]


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Adhesion of biologically inspired polymer microfibers on soft surfaces

Cheung, E., Sitti, M.

Langmuir, 25(12):6613-6616, ACS Publications, 2009 (article)

pi

[BibTex]

[BibTex]


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Dangling chain elastomers as repeatable fibrillar adhesives

Sitti, M., Cusick, B., Aksak, B., Nese, A., Lee, H., Dong, H., Kowalewski, T., Matyjaszewski, K.

ACS applied materials \& interfaces, 1(10):2277-2287, American Chemical Society, 2009 (article)

pi

[BibTex]

[BibTex]


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A Sensor-Based Learning Algorithm for the Self-Organization of Robot Behavior

Hesse, F., Martius, G., Der, R., Herrmann, J. M.

Algorithms, 2(1):398-409, 2009 (article)

Abstract
Ideally, sensory information forms the only source of information to a robot. We consider an algorithm for the self-organization of a controller. At short timescales the controller is merely reactive but the parameter dynamics and the acquisition of knowledge by an internal model lead to seemingly purposeful behavior on longer timescales. As a paradigmatic example, we study the simulation of an underactuated snake-like robot. By interacting with the real physical system formed by the robotic hardware and the environment, the controller achieves a sensitive and body-specific actuation of the robot.

al

link (url) [BibTex]

link (url) [BibTex]


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Magnetism of FePt surface alloys

Honolka, J., Lee, T. Y., Kuhnke, K., Enders, A., Skomski, R., Bornemann, S., Mankovsky, S., Minár, J., Staunton, J., Ebert, H., Hessler, M., Fauth, K., Schütz, G., Buchsbaum, A., Schmid, M., Varga, P., Kern, K.

{Physical Review Letters}, 102(6), 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Enhanced 95Zr diffusion in grain boundaries of nano-crystalline ZrO2 \mbox⋅ 9.5 mol\textpercent Y2O3

Drings, H., Brossmann, U., Carstanjen, H. D., Szökefalvi-Nagy, A., Noll, C., Schaefer, H.-E.

{Physica Status Solidi (A)}, 206(1):54-58, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Magnetism of nanostructured materials for advanced magnetic recording

Goll, D.

{International Journal of Materials Research}, 100, pages: 652-662, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Vortex core switching by coherent excitation with single in-plane magnetic field pulses

Weigand, M., van Waeyenberge, B., Vansteenkiste, A., Curcic, M., Sackmann, V., Stoll, H., Tyliszczak, T., Kaznatcheev, K., Bertwistle, D., Woltersdorf, G., Back, C. H., Schütz, G.

{Physical Review Letters}, 102, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Increase of Mn solubility with decreasing grain size in ZnO

Straumal, B., Baretzky, B., Mazilkin, A., Protasova, S., Myatiev, A., Straumal, P.

{Journal of the European Ceramic Society}, 29(10):1963-1970, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Fe-C nanograined alloys obtained by high-pressure torsion: Structure and magnetic properties

Straumal, B. B., Mazilkin, A. A., Protasova, S. G., Dobatkin, S. V., Rodin, A. O., Baretzky, B., Goll, D., Schütz, G.

{Materials Science and Engineering A}, 503, pages: 185-189, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Chiral symmetry breaking of magnetic vortices by sample roughness

Vansteenkiste, A., Weigand, M., Curcic, M., Stoll, H., Schütz, G., Van Waeyenberge, B.

{New Journal of Physics}, 11, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Extended s-d model for magnetization dynamics of strongly noncollinear configurations

De Angeli, L., Steiauf, D., Singer, R., Köberle, I., Dietermann, F., Fähnle, M.

{Physical Review B}, 79, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Incorporating Muscle Activation-Contraction dynamics to an optimal control framework for finger movements

Theodorou, Evangelos A., Valero-Cuevas, Francisco J.

Abstracts of Neural Control of Movement Conference (NCM 2009), 2009, clmc (article)

Abstract
Recent experimental and theoretical work [1] investigated the neural control of contact transition between motion and force during tapping with the index finger as a nonlinear optimization problem. Such transitions from motion to well-directed contact force are a fundamental part of dexterous manipulation. There are 3 alternative hypotheses of how this transition could be accomplished by the nervous system as a function of changes in direction and magnitude of the torque vector controlling the finger. These hypotheses are 1) an initial change in direction with a subsequent change in magnitude of the torque vector; 2) an initial change in magnitude with a subsequent directional change of the torque vector; and 3) a simultaneous and proportionally equal change of both direction and magnitude of the torque vector. Experimental work in [2] shows that the nervous system selects the first strategy, and in [1] we suggest that this may in fact be the optimal strategy. In [4] the framework of Iterative Linear Quadratic Optimal Regulator (ILQR) was extended to incorporate motion and force control. However, our prior simulation work assumed direct and instantaneous control of joint torques, which ignores the known delays and filtering properties of skeletal muscle. In this study, we implement an ILQR controller for a more biologically plausible biomechanical model of the index finger than [4], and add activation-contraction dynamics to the system to simulate muscle function. The planar biomechanical model includes the kinematics of the 3 joints while the applied torques are driven by activation?contraction dynamics with biologically plausible time constants [3]. In agreement with our experimental work [2], the task is to, within 500 ms, move the finger from a given resting configuration to target configuration with a desired terminal velocity. ILQR does not only stabilize the finger dynamics according to the objective function, but it also generates smooth joint space trajectories with minimal tuning and without an a-priori initial control policy (which is difficult to find for highly dimensional biomechanical systems). Furthemore, the use of this optimal control framework and the addition of activation-contraction dynamics considers the full nonlinear dynamics of the index finger and produces a sequence of postures which are compatible with experimental motion data [2]. These simulations combined with prior experimental results suggest that optimal control is a strong candidate for the generation of finger movements prior to abrupt motion-to-force transitions. This work is funded in part by grants NIH R01 0505520 and NSF EFRI-0836042 to Dr. Francisco J. Valero- Cuevas 1 Venkadesan M, Valero-Cuevas FJ. 
Effects of neuromuscular lags on controlling contact transitions. 
Philosophical Transactions of the Royal Society A: 2008. 2 Venkadesan M, Valero-Cuevas FJ. 
Neural Control of Motion-to-Force Transitions with the Fingertip. 
J. Neurosci., Feb 2008; 28: 1366 - 1373; 3 Zajac. Muscle and tendon: properties, models, scaling, and application to biomechanics and motor control. Crit Rev Biomed Eng, 17 4. Weiwei Li., Francisco Valero Cuevas: ?Linear Quadratic Optimal Control of Contact Transition with Fingertip ? ACC 2009

am

PDF [BibTex]

PDF [BibTex]


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On-line learning and modulation of periodic movements with nonlinear dynamical systems

Gams, A., Ijspeert, A., Schaal, S., Lenarčič, J.

Autonomous Robots, 27(1):3-23, 2009, clmc (article)

Abstract
Abstract  The paper presents a two-layered system for (1) learning and encoding a periodic signal without any knowledge on its frequency and waveform, and (2) modulating the learned periodic trajectory in response to external events. The system is used to learn periodic tasks on a humanoid HOAP-2 robot. The first layer of the system is a dynamical system responsible for extracting the fundamental frequency of the input signal, based on adaptive frequency oscillators. The second layer is a dynamical system responsible for learning of the waveform based on a built-in learning algorithm. By combining the two dynamical systems into one system we can rapidly teach new trajectories to robots without any knowledge of the frequency of the demonstration signal. The system extracts and learns only one period of the demonstration signal. Furthermore, the trajectories are robust to perturbations and can be modulated to cope with a dynamic environment. The system is computationally inexpensive, works on-line for any periodic signal, requires no additional signal processing to determine the frequency of the input signal and can be applied in parallel to multiple dimensions. Additionally, it can adapt to changes in frequency and shape, e.g. to non-stationary signals, such as hand-generated signals and human demonstrations.

am

link (url) [BibTex]

link (url) [BibTex]


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Reversible dry micro-fibrillar adhesives with thermally controllable adhesion

Kim, S., Sitti, M., Xie, T., Xiao, X.

Soft Matter, 5(19):3689-3693, Royal Society of Chemistry, 2009 (article)

pi

Project Page [BibTex]

Project Page [BibTex]


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Biologically Inspired Polymer Microfibrillar Arrays for Mask Sealing

Cheung, E., Aksak, B., Sitti, M.

CARNEGIE-MELLON UNIV PITTSBURGH PA, 2009 (techreport)

pi

[BibTex]

[BibTex]


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Enhanced reversible adhesion of dopamine methacrylamide-coated elastomer microfibrillar structures under wet conditions

Glass, P., Chung, H., Washburn, N. R., Sitti, M.

Langmuir, 25(12):6607-6612, ACS Publications, 2009 (article)

pi

Project Page [BibTex]

Project Page [BibTex]


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Superconducting phase formation in random neck syntheses: a study of the Y-Ba-Cu-O system by magneto-optics and magnetometry

Willems, J. B., Albrecht, J., Landau, I. L., Hulliger, J.

{Superconductor Science and Technology}, 22, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Determination of spin moments from magnetic EXAFS

Popescu, V., Gü\ssmann, M., Fähnle, M., Schütz, G.

{Physical Review B}, 79, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Linewidth of ferromagnetic resonance for systems with anisotropic damping

Seib, J., Steiauf, D., Fähnle, M.

{Physical Review B}, 79, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Structural and magnetic deconvolution of FePt/FeOx-nanoparticles using x-ray magnetic circular dichroism

Nolle, D., Goering, E., Tietze, T., Schütz, G., Figuerola, A., Manna, L.

{New Journal of Physics}, 11, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Magnetic imaging with femtosecond temporal resolution

Li, J., Lee, M.-S., He, W., Redeker, B., Remhof, A., Amaladass, E., Hassel, C., Eimüller, T.

{Review of Scientific Instruments}, 80(7), 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Elliott-Yafet mechanism and the discussion of femtosecond magnetization dynamics

Steiauf, D., Fähnle, M.

{Physical Review B}, 79, 2009 (article)

mms

DOI [BibTex]

DOI [BibTex]


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Investigation of the stability of Mn12 single molecule magnets

Voss, S., Fonin, M., Burova, L., Burgert, M., Dedkov, Y. S., Preobrajenski, A. B., Goering, E., Groth, U., Kaul, A. R., Ruediger, U.

{Applied Physics A}, 94(3):491-495, 2009 (article)

mms

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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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.

ei

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 Project Page [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.

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

PDF [BibTex]

PDF [BibTex]


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Approximation Algorithms for Bregman Clustering Co-clustering and Tensor Clustering

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

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

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

ei

PDF [BibTex]

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.

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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]