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2008


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New Frontiers in Characterizing Structure and Dynamics by NMR

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

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

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

ei

Web [BibTex]

2008


Web [BibTex]


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

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

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

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

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Hydrogen adsorption (Carbon, Zeolites, Nanocubes)

Hirscher, M., Panella, B.

In Hydrogen as a Future Energy Carrier, pages: 173-188, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2008 (incollection)

mms

[BibTex]

[BibTex]


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Ma\ssgeschneiderte Speichermaterialien

Hirscher, M.

In Von Brennstoffzellen bis Leuchtdioden (Energie und Chemie - Ein Bündnis für die Zukunft), pages: 31-33, Deutsche Bunsen-Gesellschaft für Physikalische Chemie e.V., Frankfurt am Main, 2008 (incollection)

mms

[BibTex]

[BibTex]

2007


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Support Vector Machine Learning for Interdependent and Structured Output Spaces

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

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

ei

Web [BibTex]

2007


Web [BibTex]


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Brisk Kernel ICA

Jegelka, S., Gretton, A.

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

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

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Training a Support Vector Machine in the Primal

Chapelle, O.

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

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

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Approximation Methods for Gaussian Process Regression

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

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

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

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Trading Convexity for Scalability

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

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

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

ei

PDF Web [BibTex]

PDF Web [BibTex]


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

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

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

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Joint Kernel Maps

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

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

ei

Web [BibTex]

Web [BibTex]


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Brain-Computer Interfaces for Communication in Paralysis: A Clinical Experimental Approach

Hinterberger, T., Nijboer, F., Kübler, A., Matuz, T., Furdea, A., Mochty, U., Jordan, M., Lal, T., Hill, J., Mellinger, J., Bensch, M., Tangermann, M., Widman, G., Elger, C., Rosenstiel, W., Schölkopf, B., Birbaumer, N.

In Toward Brain-Computer Interfacing, pages: 43-64, Neural Information Processing, (Editors: G. Dornhege and J del R Millán and T Hinterberger and DJ McFarland and K-R Müller), MIT Press, Cambridge, MA, USA, September 2007 (inbook)

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Probabilistic Structure Calculation

Rieping, W., Habeck, M., Nilges, M.

In Structure and Biophysics: New Technologies for Current Challenges in Biology and Beyond, pages: 81-98, NATO Security through Science Series, (Editors: Puglisi, J. D.), Springer, Berlin, Germany, March 2007 (inbook)

ei

Web DOI [BibTex]

Web DOI [BibTex]


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On the Pre-Image Problem in Kernel Methods

BakIr, G., Schölkopf, B., Weston, J.

In Kernel Methods in Bioengineering, Signal and Image Processing, pages: 284-302, (Editors: G Camps-Valls and JL Rojo-Álvarez and M Martínez-Ramón), Idea Group Publishing, Hershey, PA, USA, January 2007 (inbook)

Abstract
In this chapter we are concerned with the problem of reconstructing patterns from their representation in feature space, known as the pre-image problem. We review existing algorithms and propose a learning based approach. All algorithms are discussed regarding their usability and complexity and evaluated on an image denoising application.

ei

DOI [BibTex]

DOI [BibTex]


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Dynamics systems vs. optimal control ? a unifying view

Schaal, S, Mohajerian, P., Ijspeert, A.

In Progress in Brain Research, (165):425-445, 2007, clmc (inbook)

Abstract
In the past, computational motor control has been approached from at least two major frameworks: the dynamic systems approach and the viewpoint of optimal control. The dynamic system approach emphasizes motor control as a process of self-organization between an animal and its environment. Nonlinear differential equations that can model entrainment and synchronization behavior are among the most favorable tools of dynamic systems modelers. In contrast, optimal control approaches view motor control as the evolutionary or development result of a nervous system that tries to optimize rather general organizational principles, e.g., energy consumption or accurate task achievement. Optimal control theory is usually employed to develop appropriate theories. Interestingly, there is rather little interaction between dynamic systems and optimal control modelers as the two approaches follow rather different philosophies and are often viewed as diametrically opposing. In this paper, we develop a computational approach to motor control that offers a unifying modeling framework for both dynamic systems and optimal control approaches. In discussions of several behavioral experiments and some theoretical and robotics studies, we demonstrate how our computational ideas allow both the representation of self-organizing processes and the optimization of movement based on reward criteria. Our modeling framework is rather simple and general, and opens opportunities to revisit many previous modeling results from this novel unifying view.

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link (url) [BibTex]

link (url) [BibTex]


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Bacteria integrated swimming microrobots

Behkam, B., Sitti, M.

In 50 years of artificial intelligence, pages: 154-163, Springer Berlin Heidelberg, 2007 (incollection)

pi

[BibTex]

[BibTex]


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Micromagnetism-microstructure relations and the hysteresis loop

Goll, D.

In Handbook of Magnetism and Advanced Magnetic Materials. Vol. 2: Micromagnetism, pages: 1023-1058, John Wiley & Sons Ltd., Chichester, UK, 2007 (incollection)

mms

[BibTex]

[BibTex]


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Synchrotron radiation techniques based on X-ray magnetic circular dichroism

Schütz, G., Goering, E., Stoll, H.

In Handbook of Magnetism and Advanced Magnetic Materials. Vol. 3: Materials Novel Techniques for Characterizing and Preparing Samples, pages: 1311-1363, John Wiley & Sons Ltd., Chichester, UK, 2007 (incollection)

mms

[BibTex]

[BibTex]


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Micromagnetism-microstructure relations and the hysteresis loop

Goll, D.

In Handbook of Magnetism and Advanced Magnetic Materials. Vol. 2: Micromagnetism, pages: 1023-1058, John Wiley & Sons Ltd., Chichester, UK, 2007 (incollection)

mms

[BibTex]

[BibTex]


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Dissipative magnetization dynamics close to the adiabatic regime

Fähnle, M., Steiauf, D.

In Handbook of Magnetism and Advanced Magnetic Materials. Vol. 1: Fundamental and Theory, pages: 282-302, John Wiley & Sons Ltd., Chichester, UK, 2007 (incollection)

mms

[BibTex]

[BibTex]

1996


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From isolation to cooperation: An alternative of a system of experts

Schaal, S., Atkeson, C. G.

In Advances in Neural Information Processing Systems 8, pages: 605-611, (Editors: Touretzky, D. S.;Mozer, M. C.;Hasselmo, M. E.), MIT Press, Cambridge, MA, 1996, clmc (inbook)

Abstract
We introduce a constructive, incremental learning system for regression problems that models data by means of locally linear experts. In contrast to other approaches, the experts are trained independently and do not compete for data during learning. Only when a prediction for a query is required do the experts cooperate by blending their individual predictions. Each expert is trained by minimizing a penalized local cross validation error using second order methods. In this way, an expert is able to adjust the size and shape of the receptive field in which its predictions are valid, and also to adjust its bias on the importance of individual input dimensions. The size and shape adjustment corresponds to finding a local distance metric, while the bias adjustment accomplishes local dimensionality reduction. We derive asymptotic results for our method. In a variety of simulations we demonstrate the properties of the algorithm with respect to interference, learning speed, prediction accuracy, feature detection, and task oriented incremental learning. 

am

link (url) [BibTex]

1996


link (url) [BibTex]