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2005


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Constrained spin-density functional theory for excited magnetic configurations in an adiabatic approximation

Singer, R., Fähnle, M., Bihlmayer, G.

{Physical Review B}, 71, 2005 (article)

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[BibTex]

2005


[BibTex]


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The influence of magnetism on atomic defects and diffusion: model calculations and ab initio electron theory

Fähnle, M., Schimmele, L.

{Defect and Diffusion Forum}, 237-240, pages: 19-29, 2005 (article)

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[BibTex]

[BibTex]


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X-ray magnetic circular dichroism sum rule correction for the light transition metals

Goering, E.

{Philosophical Magazine}, 85, pages: 2895-2911, 2005 (article)

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[BibTex]

[BibTex]


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Temperature dependence of the magnetocrystalline anisotropy energy and projected microscopic magnetic moments in epitaxial CrO2 films

Gold, S., Goering, E., König, C., Rüdiger, U., Güntherodt, G., Schütz, G.

{Physical Review B}, 71(22), 2005 (article)

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[BibTex]


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On the imaging of the flux-line lattice of a type-II superconductor by soft X-ray absorption spectroscopy

Fähnle, M., Albrecht, J., Eimüller, T., Fisher, P., Goering, E., Steiauf, D., Schütz, G.

{Journal of Synchrotron Radiation}, 12, pages: 251-253, 2005 (article)

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[BibTex]

[BibTex]


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Grain-boundary melting phase transition in the Cu-Bi system

Divinski, S., Lohmann, M., Herzig, C., Straumal, B., Baretzky, B., Gust, W.

{Physical Review B}, 71, 2005 (article)

mms

[BibTex]

[BibTex]


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A fast ab initio approach to the simulation of spin dynamics

Fähnle, M., Drautz, R., Singer, R., Steiauf, D., Berkov, D. V.

{Computational Materials Science}, 32, pages: 118-122, 2005 (article)

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[BibTex]

[BibTex]


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Hydrogen adsorption in different carbon nanostructures

Panella, B., Hirscher, M., Roth, S.

{Carbon}, 43, pages: 2209-2214, 2005 (article)

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[BibTex]

[BibTex]


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Synthesis of the nanocrystalline MgS and its interaction with hydrogen

Goo, N. H., Hirscher, M.

{Journal of Alloys and Compounds}, 404, pages: 503-506, 2005 (article)

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[BibTex]

[BibTex]


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Time-scales of electronic processes in Fe3O4 - An attempt to resolve a recently accentuated controversy

Fähnle, M., Kronmüller, H., Walz, F.

{Physica B}, 369, pages: 177-180, 2005 (article)

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[BibTex]

[BibTex]


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Bending of magnetic avalanches in MgB2 thin films

Albrecht, J., Matveev, A., Djupmyr, M., Schütz, G., Stuhlhofer, B., Habermeier, H.

{Applied Physics Letters}, 87, 2005 (article)

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[BibTex]

[BibTex]


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Magnetic pinning of flux lines in heterostructures of cuprates and manganites

Albrecht, J., Soltan, S., Habermeier, H.-U.

{Physical Review B}, 72, 2005 (article)

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[BibTex]

[BibTex]


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On the pair-potential modelling of alloy surfaces

Drautz, R., Fähnle, M.

{Surface Science}, 585, pages: 108-112, 2005 (article)

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[BibTex]

[BibTex]


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Crystal field parameters at the (0001) surface of rare-earth metals: an ab initio study

Welsch, F., Fähnle, M., Jensen, P. J.

{Journal of Physics: Condensed Matter}, 17, pages: 2061-2072, 2005 (article)

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[BibTex]

[BibTex]


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Spatially resolved ferromagnetic resonance: Imaging of ferromagnetic eigenmodes

Puzic, A., Van Waeyenberge, B., Chou, K. W., Fischer, P., Stoll, H., Schütz, G., Tyliszczak, T., Rott, K., Brückl, H., Reiss, G., Neudecker, I., Haug, T., Buess, M., Back, C. H.

{Journal of Applied Physics}, 97, 2005 (article)

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DOI [BibTex]

DOI [BibTex]


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Proton magnetic resonance spectra of YH3 and LuH3

Brady, S. K., Conradi, M. S., Majer, G., Barnes, R. G.

{Physical Review B}, 72, 2005 (article)

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[BibTex]

[BibTex]


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Hydrogen storage in spherical nanoporous carbons

Terres, E., Panella, B., Hayashi, T., Kim, Y. A., Endo, M., Dominguez, J. M., Hirscher, M., Terrones, H., Terrones, H.

{Chemical Physics Letters}, 403(4-6):363-366, 2005 (article)

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[BibTex]

[BibTex]


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Faceting and migration of twin grain boundaries in zinc

Straumal, B. B., Rabkin, E., Sursaeva, V. G., Goruakova, A. S.

{Zeitschrift f\"ur Metallkunde}, 96(2):161-166, 2005 (article)

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[BibTex]

[BibTex]


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Nanostructures with high surface area for hydrogen storage

Hirscher, M., Panella, B.

{Journal of Alloys and Compounds}, 404, pages: 399-401, 2005 (article)

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[BibTex]

[BibTex]


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Timescale settling and nature of electron transport in magnetite - General considerations in view of new magnetic after-effect results on dilutely Ti4+-doped Fe3O4

Walz, F., Brabers, V. A. M., Brabers, J. H. V. J., Kronmüller, H.

{Journal of Physics: Condensed Matter}, 17(42):6763-6781, 2005 (article)

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[BibTex]

[BibTex]


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Topological k-space refinement of the configurational energy of alloys

Shchyglo, O., Bugaev, V. N., Drautz, R., Udyansky, A., Reichert, H., Dosch, H.

{Physical Review B}, 72(14), 2005 (article)

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[BibTex]

[BibTex]


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Large surface area nanostructures for hydrogen storage

Hirscher, M., Panella, B.

{Annales de Chimie}, 30(5):519-529, 2005 (article)

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[BibTex]

[BibTex]


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Electronic and magnetic properties of ligand-free FePt nanoparticles

Boyen, H., Fauth, K., Stahl, B., Ziemann, P., Kästle, G., Weigl, F., Banhart, F., He\ssler, M., Schütz, G., Gajbhiye, N. S., Ellrich, J., Hahn, H., Büttner, M., Garnier, M. G., Oelhafen, P.

{Advanced Materials}, 17(5):574-578, 2005 (article)

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DOI [BibTex]

DOI [BibTex]


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Identification of extrinsic Mn contributions in Ga1-xMnxAs by field-dependent magnetic circular X-ray dichroism

Rader, O., Fauth, K., Gould, C., Rüster, C., Schott, G. M., Schmidt, G., Brunner, K., Molenkamp, L. W., Schütz, G., Kronast, F., Dürr, H. A., Eberhardt, W., Gudat, W.

{Journal of Electron Spectroscopy and Related Phenomena}, 144(Sp. issue):789-792, 2005 (article)

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DOI [BibTex]

DOI [BibTex]


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Fundamentals of interface phenomena in advanced bulk nanoscale materials

Baretzky, B., Baró, M. D., Grabovetskaya, G. P., Gubicza, J., Ivanov, M. B., Kolobov, Y. R., Langdon, T. G., Lendvai, J., Lipnitskii, A. G., Mazilkin, A. A., Nazarov, A. A., Nogués, J., Ovidko, I. A., Protasova, S. G., Raab, G. I., Révész, Á., Skiba, N. V., Sort, J., Starink, M. J., Straumal, B. B., Suriñach, S., Ungár, T., Zhilyaev, A. P.

{Reviews on Advanced Materials Science}, 9(1):45-108, 2005 (article)

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[BibTex]

[BibTex]


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Formation of nanostructure during high-pressure torsion of Al-Zn, Al-Mg and Al-Zn-Mg alloys

Mazilkin, A. A., Kogtenkova, O. A., Straumal, B. B., Ruslan, Z, Valiev, Z., Baretzky, B.

{Defect and Diffusion Forum}, 237-240, pages: 739-744, 2005 (article)

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[BibTex]

[BibTex]


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Micromagnetic simulation as a bridge between magnetic-force and magnetic-transmission X-ray microscopy

Bolte, M., Eiselt, R., Eimüller, T.

{Journal of Magnetism and Magnetic Materials}, 290, pages: 723-726, 2005 (article)

mms

[BibTex]

[BibTex]


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Grain-boundary melting phase transition in the Cu-Bi system

Divinski, S., Lohmann, M., Herzig, C., Straumal, B., Baretzky, B., Gust, W.

{Physical Review B}, 71, 2005 (article)

mms

[BibTex]

[BibTex]

2004


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On the representation, learning and transfer of spatio-temporal movement characteristics

Ilg, W., Bakir, GH., Mezger, J., Giese, M.

International Journal of Humanoid Robotics, 1(4):613-636, December 2004 (article)

ei

[BibTex]

2004


[BibTex]


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Insect-inspired estimation of egomotion

Franz, MO., Chahl, JS., Krapp, HG.

Neural Computation, 16(11):2245-2260, November 2004 (article)

Abstract
Tangential neurons in the fly brain are sensitive to the typical optic flow patterns generated during egomotion. In this study, we examine whether a simplified linear model based on the organization principles in tangential neurons can be used to estimate egomotion from the optic flow. We present a theory for the construction of an estimator consisting of a linear combination of optic flow vectors that incorporates prior knowledge both about the distance distribution of the environment, and about the noise and egomotion statistics of the sensor. The estimator is tested on a gantry carrying an omnidirectional vision sensor. The experiments show that the proposed approach leads to accurate and robust estimates of rotation rates, whereas translation estimates are of reasonable quality, albeit less reliable.

ei

PDF PostScript Web DOI [BibTex]

PDF PostScript Web DOI [BibTex]


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Efficient face detection by a cascaded support-vector machine expansion

Romdhani, S., Torr, P., Schölkopf, B., Blake, A.

Proceedings of The Royal Society of London A, 460(2501):3283-3297, A, November 2004 (article)

Abstract
We describe a fast system for the detection and localization of human faces in images using a nonlinear ‘support-vector machine‘. We approximate the decision surface in terms of a reduced set of expansion vectors and propose a cascaded evaluation which has the property that the full support-vector expansion is only evaluated on the face-like parts of the image, while the largest part of typical images is classified using a single expansion vector (a simpler and more efficient classifier). As a result, only three reduced-set vectors are used, on average, to classify an image patch. Hence, the cascaded evaluation, presented in this paper, offers a thirtyfold speed-up over an evaluation using the full set of reduced-set vectors, which is itself already thirty times faster than classification using all the support vectors.

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Learning kernels from biological networks by maximizing entropy

Tsuda, K., Noble, W.

Bioinformatics, 20(Suppl. 1):i326-i333, August 2004 (article)

Abstract
Motivation: The diffusion kernel is a general method for computing pairwise distances among all nodes in a graph, based on the sum of weighted paths between each pair of nodes. This technique has been used successfully, in conjunction with kernel-based learning methods, to draw inferences from several types of biological networks. Results: We show that computing the diffusion kernel is equivalent to maximizing the von Neumann entropy, subject to a global constraint on the sum of the Euclidean distances between nodes. This global constraint allows for high variance in the pairwise distances. Accordingly, we propose an alternative, locally constrained diffusion kernel, and we demonstrate that the resulting kernel allows for more accurate support vector machine prediction of protein functional classifications from metabolic and protein–protein interaction networks.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Masking effect produced by Mach bands on the detection of narrow bars of random polarity

Henning, GB., Hoddinott, KT., Wilson-Smith, ZJ., Hill, NJ.

Journal of the Optical Society of America, 21(8):1379-1387, A, August 2004 (article)

ei

[BibTex]

[BibTex]


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Support Vector Channel Selection in BCI

Lal, T., Schröder, M., Hinterberger, T., Weston, J., Bogdan, M., Birbaumer, N., Schölkopf, B.

IEEE Transactions on Biomedical Engineering, 51(6):1003-1010, June 2004 (article)

Abstract
Designing a Brain Computer Interface (BCI) system one can choose from a variety of features that may be useful for classifying brain activity during a mental task. For the special case of classifying EEG signals we propose the usage of the state of the art feature selection algorithms Recursive Feature Elimination and Zero-Norm Optimization which are based on the training of Support Vector Machines (SVM). These algorithms can provide more accurate solutions than standard filter methods for feature selection. We adapt the methods for the purpose of selecting EEG channels. For a motor imagery paradigm we show that the number of used channels can be reduced significantly without increasing the classification error. The resulting best channels agree well with the expected underlying cortical activity patterns during the mental tasks. Furthermore we show how time dependent task specific information can be visualized.

ei

DOI [BibTex]

DOI [BibTex]


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Distance-Based Classification with Lipschitz Functions

von Luxburg, U., Bousquet, O.

Journal of Machine Learning Research, 5, pages: 669-695, June 2004 (article)

Abstract
The goal of this article is to develop a framework for large margin classification in metric spaces. We want to find a generalization of linear decision functions for metric spaces and define a corresponding notion of margin such that the decision function separates the training points with a large margin. It will turn out that using Lipschitz functions as decision functions, the inverse of the Lipschitz constant can be interpreted as the size of a margin. In order to construct a clean mathematical setup we isometrically embed the given metric space into a Banach space and the space of Lipschitz functions into its dual space. To analyze the resulting algorithm, we prove several representer theorems. They state that there always exist solutions of the Lipschitz classifier which can be expressed in terms of distance functions to training points. We provide generalization bounds for Lipschitz classifiers in terms of the Rademacher complexities of some Lipschitz function classes. The generality of our approach can be seen from the fact that several well-known algorithms are special cases of the Lipschitz classifier, among them the support vector machine, the linear programming machine, and the 1-nearest neighbor classifier.

ei

PDF PostScript PDF [BibTex]

PDF PostScript PDF [BibTex]


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cDNA-Microarray Technology in Cartilage Research - Functional Genomics of Osteoarthritis [in German]

Aigner, T., Finger, F., Zien, A., Bartnik, E.

Zeitschrift f{\"u}r Orthop{\"a}die und ihre Grenzgebiete, 142(2):241-247, April 2004 (article)

Abstract
Functional genomics represents a new challenging approach in order to analyze complex diseases such as osteoarthritis on a molecular level. The characterization of the molecular changes of the cartilage cells, the chondrocytes, enables a better understanding of the pathomechanisms of the disease. In particular, the identification and characterization of new target molecules for therapeutic intervention is of interest. Also, potential molecular markers for diagnosis and monitoring of osteoarthritis contribute to a more appropriate patient management. The DNA-microarray technology complements (but does not replace) biochemical and biological research in new disease-relevant genes. Large-scale functional genomics will identify molecular networks such as yet identified players in the anabolic-catabolic balance of articular cartilage as well as disease-relevant intracellular signaling cascades so far rather unknown in articular chondrocytes. However, at the moment it is also important to recognize the limitations of the microarray technology in order to avoid over-interpretation of the results. This might lead to misleading results and prevent to a significant extent a proper use of the potential of this technology in the field of osteoarthritis.

ei

[BibTex]

[BibTex]


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A Compression Approach to Support Vector Model Selection

von Luxburg, U., Bousquet, O., Schölkopf, B.

Journal of Machine Learning Research, 5, pages: 293-323, April 2004 (article)

Abstract
In this paper we investigate connections between statistical learning theory and data compression on the basis of support vector machine (SVM) model selection. Inspired by several generalization bounds we construct "compression coefficients" for SVMs which measure the amount by which the training labels can be compressed by a code built from the separating hyperplane. The main idea is to relate the coding precision to geometrical concepts such as the width of the margin or the shape of the data in the feature space. The so derived compression coefficients combine well known quantities such as the radius-margin term R^2/rho^2, the eigenvalues of the kernel matrix, and the number of support vectors. To test whether they are useful in practice we ran model selection experiments on benchmark data sets. As a result we found that compression coefficients can fairly accurately predict the parameters for which the test error is minimized.

ei

PDF [BibTex]

PDF [BibTex]


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Experimentally optimal v in support vector regression for different noise models and parameter settings

Chalimourda, A., Schölkopf, B., Smola, A.

Neural Networks, 17(1):127-141, January 2004 (article)

Abstract
In Support Vector (SV) regression, a parameter ν controls the number of Support Vectors and the number of points that come to lie outside of the so-called var epsilon-insensitive tube. For various noise models and SV parameter settings, we experimentally determine the values of ν that lead to the lowest generalization error. We find good agreement with the values that had previously been predicted by a theoretical argument based on the asymptotic efficiency of a simplified model of SV regression. As a side effect of the experiments, valuable information about the generalization behavior of the remaining SVM parameters and their dependencies is gained. The experimental findings are valid even for complex ‘real-world’ data sets. Based on our results on the role of the ν-SVM parameters, we discuss various model selection methods.

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Protein ranking: from local to global structure in the protein similarity network

Weston, J., Elisseeff, A., Zhou, D., Leslie, C., Noble, W.

Proceedings of the National Academy of Science, 101(17):6559-6563, 2004 (article)

Abstract
Biologists regularly search databases of DNA or protein sequences for evolutionary or functional relationships to a given query sequence. We describe a ranking algorithm that exploits the entire network structure of similarity relationships among proteins in a sequence database by performing a diffusion operation on a pre-computed, weighted network. The resulting ranking algorithm, evaluated using a human-curated database of protein structures, is efficient and provides significantly better rankings than a local network search algorithm such as PSI-BLAST.

ei

Web [BibTex]

Web [BibTex]


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Statistical Performance of Support Vector Machines

Blanchard, G., Bousquet, O., Massart, P.

2004 (article)

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PostScript [BibTex]


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Asymptotic Properties of the Fisher Kernel

Tsuda, K., Akaho, S., Kawanabe, M., Müller, K.

Neural Computation, 16(1):115-137, 2004 (article)

ei

PDF [BibTex]

PDF [BibTex]


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Some observations on the effects of slant and texture type on slant-from-texture

Rosas, P., Wichmann, F., Wagemans, J.

Vision Research, 44(13):1511-1535, 2004 (article)

Abstract
We measure the performance of five subjects in a slant-discrimination task for differently textured planes. As textures we used uniform lattices, randomly displaced lattices, circles (polka dots), Voronoi tessellations, plaids, 1/f noise, “coherent” noise and a leopard skin-like texture. Our results show: (1) Improving performance with larger slants for all textures. (2) Thus, following from (1), cases of “non-symmetrical” performance around a particular orientation. (3) For orientations sufficiently slanted, the different textures do not elicit major differences in performance, (4) while for orientations closer to the vertical plane there are marked differences between them. (5) These differences allow a rank-order of textures to be formed according to their “helpfulness”– that is, how easy the discrimination task is when a particular texture is mapped on the plane. Polka dots tend to allow the best slant discrimination performance, noise patterns the worst. Two additional experiments were conducted to test the generality of the obtained rank-order. First, the tilt of the planes was rotated to break the axis of gravity present in the original discrimination experiment. Second, the task was changed to a slant report task via probe adjustment. The results of both control experiments confirmed the texture-based rank-order previously obtained. We comment on the importance of these results for depth perception research in general, and in particular the implications our results have for studies of cue combination (sensor fusion) using texture as one of the cues involved.

ei

PDF [BibTex]

PDF [BibTex]


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Minimizing the Cross Validation Error to Mix Kernel Matrices of Heterogeneous Biological Data

Tsuda, K., Uda, S., Kin, T., Asai, K.

Neural Processing Letters, 19, pages: 63-72, 2004 (article)

ei

PDF [BibTex]

PDF [BibTex]


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A Tutorial on Support Vector Regression

Smola, A., Schölkopf, B.

Statistics and Computing, 14(3):199-222, 2004 (article)

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Web [BibTex]

Web [BibTex]


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Statistische Lerntheorie und Empirische Inferenz

Schölkopf, B.

Jahrbuch der Max-Planck-Gesellschaft, 2004, pages: 377-382, 2004 (misc)

Abstract
Statistical learning theory studies the process of inferring regularities from empirical data. The fundamental problem is what is called generalization: how it is possible to infer a law which will be valid for an infinite number of future observations, given only a finite amount of data? This problem hinges upon fundamental issues of statistics and science in general, such as the problems of complexity of explanations, a priori knowledge, and representation of data.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Bayesian analysis of the Scatterometer Wind Retrieval Inverse Problem: Some New Approaches

Cornford, D., Csato, L., Evans, D., Opper, M.

Journal of the Royal Statistical Society B, 66, pages: 1-17, 3, 2004 (article)

Abstract
The retrieval of wind vectors from satellite scatterometer observations is a non-linear inverse problem.A common approach to solving inverse problems is to adopt a Bayesian framework and to infer the posterior distribution of the parameters of interest given the observations by using a likelihood model relating the observations to the parameters, and a prior distribution over the parameters.We show how Gaussian process priors can be used efficiently with a variety of likelihood models, using local forward (observation) models and direct inverse models for the scatterometer.We present an enhanced Markov chain Monte Carlo method to sample from the resulting multimodal posterior distribution.We go on to show how the computational complexity of the inference can be controlled by using a sparse, sequential Bayes algorithm for estimation with Gaussian processes.This helps to overcome the most serious barrier to the use of probabilistic, Gaussian process methods in remote sensing inverse problems, which is the prohibitively large size of the data sets.We contrast the sampling results with the approximations that are found by using the sparse, sequential Bayes algorithm.

ei

PDF [BibTex]

PDF [BibTex]


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Feature Selection for Support Vector Machines Using Genetic Algorithms

Fröhlich, H., Chapelle, O., Schölkopf, B.

International Journal on Artificial Intelligence Tools (Special Issue on Selected Papers from the 15th IEEE International Conference on Tools with Artificial Intelligence 2003), 13(4):791-800, 2004 (article)

ei

Web [BibTex]

Web [BibTex]


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Phenotypic Characterization of Human Chondrocyte Cell Line C-20/A4: A Comparison between Monolayer and Alginate Suspension Culture

Finger, F., Schorle, C., Söder, S., Zien, A., Goldring, M., Aigner, T.

Cells Tissues Organs, 178(2):65-77, 2004 (article)

Abstract
DNA microarray analysis was used to investigate the molecular phenotype of one of the first human chondrocyte cell lines, C-20/A4, derived from juvenile costal chondrocytes by immortalization with origin-defective simian virus 40 large T antigen. Clontech Human Cancer Arrays 1.2 and quantitative PCR were used to examine gene expression profiles of C-20/A4 cells cultured in the presence of serum in monolayer and alginate beads. In monolayer cultures, genes involved in cell proliferation were strongly upregulated compared to those expressed by human adult articular chondrocytes in primary culture. Of the cell cycle-regulated genes, only two, the CDK regulatory subunit and histone H4, were downregulated after culture in alginate beads, consistent with the ability of these cells to proliferate in suspension culture. In contrast, the expression of several genes that are involved in pericellular matrix formation, including MMP-14, COL6A1, fibronectin, biglycan and decorin, was upregulated when the C-20/A4 cells were transferred to suspension culture in alginate. Also, nexin-1, vimentin, and IGFBP-3, which are known to be expressed by primary chondrocytes, were differentially expressed in our study. Consistent with the proliferative phenotype of this cell line, few genes involved in matrix synthesis and turnover were highly expressed in the presence of serum. These results indicate that immortalized chondrocyte cell lines, rather than substituting for primary chondrocytes, may serve as models for extending findings on chondrocyte function not achievable by the use of primary chondrocytes.

ei

[BibTex]

[BibTex]


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Kernel Methods and their Potential Use in Signal Processing

Perez-Cruz, F., Bousquet, O.

IEEE Signal Processing Magazine, (Special issue on Signal Processing for Mining), 2004 (article) Accepted

ei

PostScript [BibTex]

PostScript [BibTex]