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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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Measurement-Based Modeling for Haptic Rendering

Okamura, A. M., Kuchenbecker, K. J., Mahvash, M.

In Haptic Rendering: Algorithms and Applications, pages: 443-467, 21, A. K. Peters, May 2008 (incollection)

hi

[BibTex]

[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]

2000


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Robust ensemble learning

Rätsch, G., Schölkopf, B., Smola, A., Mika, S., Onoda, T., Müller, K.

In Advances in Large Margin Classifiers, pages: 207-220, Neural Information Processing Series, (Editors: AJ Smola and PJ Bartlett and B Schölkopf and D. Schuurmans), MIT Press, Cambridge, MA, USA, October 2000 (inbook)

ei

[BibTex]

2000


[BibTex]


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Entropy numbers for convex combinations and MLPs

Smola, A., Elisseeff, A., Schölkopf, B., Williamson, R.

In Advances in Large Margin Classifiers, pages: 369-387, Neural Information Processing Series, (Editors: AJ Smola and PL Bartlett and B Schölkopf and D Schuurmans), MIT Press, Cambridge, MA,, October 2000 (inbook)

ei

[BibTex]

[BibTex]


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Natural Regularization from Generative Models

Oliver, N., Schölkopf, B., Smola, A.

In Advances in Large Margin Classifiers, pages: 51-60, Neural Information Processing Series, (Editors: AJ Smola and PJ Bartlett and B Schölkopf and D Schuurmans), MIT Press, Cambridge, MA, USA, October 2000 (inbook)

ei

[BibTex]

[BibTex]


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Solving Satisfiability Problems with Genetic Algorithms

Harmeling, S.

In Genetic Algorithms and Genetic Programming at Stanford 2000, pages: 206-213, (Editors: Koza, J. R.), Stanford Bookstore, Stanford, CA, USA, June 2000 (inbook)

Abstract
We show how to solve hard 3-SAT problems using genetic algorithms. Furthermore, we explore other genetic operators that may be useful to tackle 3-SAT problems, and discuss their pros and cons.

ei

PDF [BibTex]

PDF [BibTex]


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Statistical Learning and Kernel Methods

Schölkopf, B.

In CISM Courses and Lectures, International Centre for Mechanical Sciences Vol.431, CISM Courses and Lectures, International Centre for Mechanical Sciences, 431(23):3-24, (Editors: G Della Riccia and H-J Lenz and R Kruse), Springer, Vienna, Data Fusion and Perception, 2000 (inbook)

ei

[BibTex]

[BibTex]


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An Introduction to Kernel-Based Learning Algorithms

Müller, K., Mika, S., Rätsch, G., Tsuda, K., Schölkopf, B.

In Handbook of Neural Network Signal Processing, 4, (Editors: Yu Hen Hu and Jang-Neng Hwang), CRC Press, 2000 (inbook)

ei

[BibTex]

[BibTex]


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Biomimetic gaze stabilization

Shibata, T., Schaal, S.

In Robot learning: an Interdisciplinary approach, pages: 31-52, (Editors: Demiris, J.;Birk, A.), World Scientific, 2000, clmc (inbook)

Abstract
Accurate oculomotor control is one of the essential pre-requisites for successful visuomotor coordination. In this paper, we suggest a biologically inspired control system for learning gaze stabilization with a biomimetic robotic oculomotor system. In a stepwise fashion, we develop a control circuit for the vestibulo-ocular reflex (VOR) and the opto-kinetic response (OKR), and add a nonlinear learning network to allow adaptivity. We discuss the parallels and differences of our system with biological oculomotor control and suggest solutions how to deal with nonlinearities and time delays in the control system. In simulation and actual robot studies, we demonstrate that our system can learn gaze stabilization in real time in only a few seconds with high final accuracy.

am

link (url) [BibTex]

link (url) [BibTex]


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Age-momentum correlation (AMOC)

Stoll, H.

In Construction and Use of an Intense Positron Source at new Linac Facilities in Germany, FZR-295, pages: 44-49, Wissenschaftlich-Technische Berichte, 2000 (incollection)

mms

[BibTex]

[BibTex]


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MeV Positron Beams

Stoll, H.

In Positron Beams and Their Applications, pages: 237-257, World Scientific, Singapore, 2000 (incollection)

mms

[BibTex]

[BibTex]


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Critical behaviour of V2H in a defective near-surface skin layer

Trenkler, J., Moss, S. C., Reichert, H., Paniago, R., Gebhardt, U., Carstanjen, H. D., Metzger, T. H., Peisl, J.

In Exploration of Subsurface Phenomena by Particle Scattering, pages: 155-164, International Advanced Studies Institute IASI Press, North East/MD, 2000 (incollection)

mms

[BibTex]

[BibTex]

1999


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Kernel principal component analysis.

Schölkopf, B., Smola, A., Müller, K.

In Advances in Kernel Methods—Support Vector Learning, pages: 327-352, (Editors: B Schölkopf and CJC Burges and AJ Smola), MIT Press, Cambridge, MA, 1999 (inbook)

ei

[BibTex]

1999


[BibTex]


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Entropy numbers, operators and support vector kernels.

Williamson, R., Smola, A., Schölkopf, B.

In Advances in Kernel Methods - Support Vector Learning, pages: 127-144, (Editors: B Schölkopf and CJC Burges and AJ Smola), MIT Press, Cambridge, MA, 1999 (inbook)

ei

[BibTex]

[BibTex]


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Artscience Sciencart

Black, M. J., Levy, D., PamelaZ,

In Art and Innovation: The Xerox PARC Artist-in-Residence Program, pages: 244-300, (Editors: Harris, C.), MIT-Press, 1999 (incollection)

Abstract
One of the effects of the PARC Artist In Residence (PAIR) program has been to expose the strong connections between scientists and artists. Both do what they do because they need to do it. They are often called upon to justify their work in order to be allowed to continue to do it. They need to justify it to funders, to sponsoring institutions, corporations, the government, the public. They publish papers, teach workshops, and write grants touting the educational or health benefits of what they do. All of these things are to some extent valid, but the fact of the matter is: artists and scientists do their work because they are driven to do it. They need to explore and create.

This chapter attempts to give a flavor of one multi-way "PAIRing" between performance artist PamelaZ and two PARC researchers, Michael Black and David Levy. The three of us paired up because we found each other interesting. We chose each other. While most artists in the program are paired with a single researcher Pamela jokingly calls herself a bigamist for choosing two PAIR "husbands" with different backgrounds and interests.

There are no "rules" to the PAIR program; no one told us what to do with our time. Despite this we all had a sense that we needed to produce something tangible during Pamela's year-long residency. In fact, Pamela kept extending her residency because she did not feel as though we had actually made anything concrete. The interesting thing was that all along we were having great conversations, some of which Pamela recorded. What we did not see at the time was that it was these conversations between artists and scientists that are at the heart of the PAIR program and that these conversations were changing the way we thought about our own work and the relationships between science and art.

To give these conversations their due, and to allow the reader into our PAIR interactions, we include two of our many conversations in this chapter.

ps

[BibTex]

[BibTex]


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Nonparametric regression for learning nonlinear transformations

Schaal, S.

In Prerational Intelligence in Strategies, High-Level Processes and Collective Behavior, 2, pages: 595-621, (Editors: Ritter, H.;Cruse, H.;Dean, J.), Kluwer Academic Publishers, 1999, clmc (inbook)

Abstract
Information processing in animals and artificial movement systems consists of a series of transformations that map sensory signals to intermediate representations, and finally to motor commands. Given the physical and neuroanatomical differences between individuals and the need for plasticity during development, it is highly likely that such transformations are learned rather than pre-programmed by evolution. Such self-organizing processes, capable of discovering nonlinear dependencies between different groups of signals, are one essential part of prerational intelligence. While neural network algorithms seem to be the natural choice when searching for solutions for learning transformations, this paper will take a more careful look at which types of neural networks are actually suited for the requirements of an autonomous learning system. The approach that we will pursue is guided by recent developments in learning theory that have linked neural network learning to well established statistical theories. In particular, this new statistical understanding has given rise to the development of neural network systems that are directly based on statistical methods. One family of such methods stems from nonparametric regression. This paper will compare nonparametric learning with the more widely used parametric counterparts in a non technical fashion, and investigate how these two families differ in their properties and their applicabilities. We will argue that nonparametric neural networks offer a set of characteristics that make them a very promising candidate for on-line learning in autonomous system.

am

link (url) [BibTex]

link (url) [BibTex]

1996


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Künstliches Lernen

Schölkopf, B.

In Komplexe adaptive Systeme, Forum für Interdisziplinäre Forschung, 15, pages: 93-117, Forum für interdisziplinäre Forschung, (Editors: S Bornholdt and PH Feindt), Röll, Dettelbach, 1996 (inbook)

ei

[BibTex]

1996


[BibTex]


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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]

link (url) [BibTex]