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2006


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Prediction of Protein Function from Networks

Shin, H., Tsuda, K.

In Semi-Supervised Learning, pages: 361-376, Adaptive Computation and Machine Learning, (Editors: Chapelle, O. , B. Schölkopf, A. Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
In computational biology, it is common to represent domain knowledge using graphs. Frequently there exist multiple graphs for the same set of nodes, representing information from different sources, and no single graph is sufficient to predict class labels of unlabelled nodes reliably. One way to enhance reliability is to integrate multiple graphs, since individual graphs are partly independent and partly complementary to each other for prediction. In this chapter, we describe an algorithm to assign weights to multiple graphs within graph-based semi-supervised learning. Both predicting class labels and searching for weights for combining multiple graphs are formulated into one convex optimization problem. The graph-combining method is applied to functional class prediction of yeast proteins.When compared with individual graphs, the combined graph with optimized weights performs significantly better than any single graph.When compared with the semidefinite programming-based support vector machine (SDP/SVM), it shows comparable accuracy in a remarkably short time. Compared with a combined graph with equal-valued weights, our method could select important graphs without loss of accuracy, which implies the desirable property of integration with selectivity.

ei

Web [BibTex]

2006


Web [BibTex]


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Discrete Regularization

Zhou, D., Schölkopf, B.

In Semi-supervised Learning, pages: 237-250, Adaptive computation and machine learning, (Editors: O Chapelle and B Schölkopf and A Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
Many real-world machine learning problems are situated on finite discrete sets, including dimensionality reduction, clustering, and transductive inference. A variety of approaches for learning from finite sets has been proposed from different motivations and for different problems. In most of those approaches, a finite set is modeled as a graph, in which the edges encode pairwise relationships among the objects in the set. Consequently many concepts and methods from graph theory are adopted. In particular, the graph Laplacian is widely used. In this chapter we present a systemic framework for learning from a finite set represented as a graph. We develop discrete analogues of a number of differential operators, and then construct a discrete analogue of classical regularization theory based on those discrete differential operators. The graph Laplacian based approaches are special cases of this general discrete regularization framework. An important thing implied in this framework is that we have a wide choices of regularization on graph in addition to the widely-used graph Laplacian based one.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Advances in Neural Information Processing Systems 18: Proceedings of the 2005 Conference

Weiss, Y., Schölkopf, B., Platt, J.

Proceedings of the 19th Annual Conference on Neural Information Processing Systems (NIPS 2005), pages: 1676, MIT Press, Cambridge, MA, USA, 19th Annual Conference on Neural Information Processing Systems (NIPS), May 2006 (proceedings)

Abstract
The annual Neural Information Processing Systems (NIPS) conference is the flagship meeting on neural computation. It draws a diverse group of attendees--physicists, neuroscientists, mathematicians, statisticians, and computer scientists. The presentations are interdisciplinary, with contributions in algorithms, learning theory, cognitive science, neuroscience, brain imaging, vision, speech and signal processing, reinforcement learning and control, emerging technologies, and applications. Only twenty-five percent of the papers submitted are accepted for presentation at NIPS, so the quality is exceptionally high. This volume contains the papers presented at the December 2005 meeting, held in Vancouver.

ei

Web [BibTex]

Web [BibTex]


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Machine Learning Challenges: evaluating predictive uncertainty, visual object classification and recognising textual entailment

Quinonero Candela, J., Dagan, I., Magnini, B., Lauria, F.

Proceedings of the First Pascal Machine Learning Challenges Workshop on Machine Learning Challenges, Evaluating Predictive Uncertainty, Visual Object Classification and Recognizing Textual Entailment (MLCW 2005), pages: 462, Lecture Notes in Computer Science, Springer, Heidelberg, Germany, First Pascal Machine Learning Challenges Workshop (MLCW), 2006 (proceedings)

Abstract
This book constitutes the thoroughly refereed post-proceedings of the First PASCAL (pattern analysis, statistical modelling and computational learning) Machine Learning Challenges Workshop, MLCW 2005, held in Southampton, UK in April 2005. The 25 revised full papers presented were carefully selected during two rounds of reviewing and improvement from about 50 submissions. The papers reflect the concepts of three challenges dealt with in the workshop: finding an assessment base on the uncertainty of predictions using classical statistics, Bayesian inference, and statistical learning theory; the second challenge was to recognize objects from a number of visual object classes in realistic scenes; the third challenge of recognizing textual entailment addresses semantic analysis of language to form a generic framework for applied semantic inference in text understanding.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Combining a Filter Method with SVMs

Lal, T., Chapelle, O., Schölkopf, B.

In Feature Extraction: Foundations and Applications, Studies in Fuzziness and Soft Computing, Vol. 207, pages: 439-446, Studies in Fuzziness and Soft Computing ; 207, (Editors: I Guyon and M Nikravesh and S Gunn and LA Zadeh), Springer, Berlin, Germany, 2006 (inbook)

Abstract
Our goal for the competition (feature selection competition NIPS 2003) was to evaluate the usefulness of simple machine learning techniques. We decided to use the correlation criteria as a feature selection method and Support Vector Machines for the classification part. Here we explain how we chose the regularization parameter C of the SVM, how we determined the kernel parameter and how we estimated the number of features used for each data set. All analyzes were carried out on the training sets of the competition data. We choose the data set Arcene as an example to explain the approach step by step. In our view the point of this competition was the construction of a well performing classifier rather than the systematic analysis of a specific approach. This is why our search for the best classifier was only guided by the described methods and that we deviated from the road map at several occasions. All calculations were done with the software Spider [2004].

ei

PDF DOI [BibTex]

PDF DOI [BibTex]


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Embedded methods

Lal, T., Chapelle, O., Weston, J., Elisseeff, A.

In Feature Extraction: Foundations and Applications, pages: 137-165, Studies in Fuzziness and Soft Computing ; 207, (Editors: Guyon, I. , S. Gunn, M. Nikravesh, L. A. Zadeh), Springer, Berlin, Germany, 2006 (inbook)

Abstract
Embedded methods are a relatively new approach to feature selection. Unlike filter methods, which do not incorporate learning, and wrapper approaches, which can be used with arbitrary classifiers, in embedded methods the features selection part can not be separated from the learning part. Existing embedded methods are reviewed based on a unifying mathematical framework.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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NONLINEAR OPTICAL PROPERTIES OF CHIRAL LIQUIDS Electric-dipolar pseudoscalars in nonlinear optics

Fischer, P., Champagne, B.

In NON-LINEAR OPTICAL PROPERTIES OF MATTER: FROM MOLECULES TO CONDENSED PHASES, 1, pages: 359-381, Challenges and Advances in Computational Chemistry and Physics, 2006 (incollection)

Abstract
We give all overview of linear and nonlinear optical processes that can be specific to chiral molecules in isotropic media. Specifically, we discuss the pseudoscalars that underlie nonlinear optical activity and chiral frequency conversion processes in fluids. We show that nonlinear optical techniques open entirely new ways of exploring chirality: Sum-frequency-generation (SFG) at second-order and BioCARS at fourth-order arise in the electric-dipole approximation and do not require circularly polarized light to detect chiral molecules in solution. Here the frequency conversion in itself is a measure of chirality. This is in contrast to natural optical activity phenomena which are based on the interference of radiation from induced oscillating electric and magnetic dipoles, and which are observed as a differential response to right and left circularly polarized light. We give examples from our SFG experiments in optically active solutions and show how the application of an additional static electric field to sum-frequency generation allows the absolute configuration of the chiral solute to be determined via all electric-dipolar process. Results from ab initio calculations of the SFG pseudoscalar are presented for a number of chiral molecules

pf

[BibTex]

[BibTex]


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Approximate nearest neighbor regression in very high dimensions

Vijayakumar, S., DSouza, A., Schaal, S.

In Nearest-Neighbor Methods in Learning and Vision, pages: 103-142, (Editors: Shakhnarovich, G.;Darrell, T.;Indyk, P.), Cambridge, MA: MIT Press, 2006, clmc (inbook)

am

link (url) [BibTex]

link (url) [BibTex]

2004


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Advanced Lectures on Machine Learning

Bousquet, O., von Luxburg, U., Rätsch, G.

ML Summer Schools 2003, LNAI 3176, pages: 240, Springer, Berlin, Germany, ML Summer Schools, September 2004 (proceedings)

Abstract
Machine Learning has become a key enabling technology for many engineering applications, investigating scientific questions and theoretical problems alike. To stimulate discussions and to disseminate new results, a summer school series was started in February 2002, the documentation of which is published as LNAI 2600. This book presents revised lectures of two subsequent summer schools held in 2003 in Canberra, Australia, and in T{\"u}bingen, Germany. The tutorial lectures included are devoted to statistical learning theory, unsupervised learning, Bayesian inference, and applications in pattern recognition; they provide in-depth overviews of exciting new developments and contain a large number of references. Graduate students, lecturers, researchers and professionals alike will find this book a useful resource in learning and teaching machine learning.

ei

Web [BibTex]

2004


Web [BibTex]


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Pattern Recognition: 26th DAGM Symposium, LNCS, Vol. 3175

Rasmussen, C., Bülthoff, H., Giese, M., Schölkopf, B.

Proceedings of the 26th Pattern Recognition Symposium (DAGM‘04), pages: 581, Springer, Berlin, Germany, 26th Pattern Recognition Symposium, August 2004 (proceedings)

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Advances in Neural Information Processing Systems 16: Proceedings of the 2003 Conference

Thrun, S., Saul, L., Schölkopf, B.

Proceedings of the Seventeenth Annual Conference on Neural Information Processing Systems (NIPS 2003), pages: 1621, MIT Press, Cambridge, MA, USA, 17th Annual Conference on Neural Information Processing Systems (NIPS), June 2004 (proceedings)

Abstract
The annual Neural Information Processing (NIPS) conference is the flagship meeting on neural computation. It draws a diverse group of attendees—physicists, neuroscientists, mathematicians, statisticians, and computer scientists. The presentations are interdisciplinary, with contributions in algorithms, learning theory, cognitive science, neuroscience, brain imaging, vision, speech and signal processing, reinforcement learning and control, emerging technologies, and applications. Only thirty percent of the papers submitted are accepted for presentation at NIPS, so the quality is exceptionally high. This volume contains all the papers presented at the 2003 conference.

ei

Web [BibTex]

Web [BibTex]


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Distributed Command Execution

Stark, S., Berlin, M.

In BSD Hacks: 100 industrial-strength tips & tools, pages: 152-152, (Editors: Lavigne, Dru), O’Reilly, Beijing, May 2004 (inbook)

Abstract
Often you want to execute a command not only on one computer, but on several at once. For example, you might want to report the current statistics on a group of managed servers or update all of your web servers at once.

ei

[BibTex]

[BibTex]


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Gaussian Processes in Machine Learning

Rasmussen, CE.

In 3176, pages: 63-71, Lecture Notes in Computer Science, (Editors: Bousquet, O., U. von Luxburg and G. Rätsch), Springer, Heidelberg, 2004, Copyright by Springer (inbook)

Abstract
We give a basic introduction to Gaussian Process regression models. We focus on understanding the role of the stochastic process and how it is used to define a distribution over functions. We present the simple equations for incorporating training data and examine how to learn the hyperparameters using the marginal likelihood. We explain the practical advantages of Gaussian Process and end with conclusions and a look at the current trends in GP work.

ei

PDF PostScript [BibTex]

PDF PostScript [BibTex]


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Protein Classification via Kernel Matrix Completion

Kin, T., Kato, T., Tsuda, K.

In pages: 261-274, (Editors: Schoelkopf, B., K. Tsuda and J.P. Vert), MIT Press, Cambridge, MA; USA, 2004 (inbook)

ei

PDF [BibTex]

PDF [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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Introduction to Statistical Learning Theory

Bousquet, O., Boucheron, S., Lugosi, G.

In Lecture Notes in Artificial Intelligence 3176, pages: 169-207, (Editors: Bousquet, O., U. von Luxburg and G. Rätsch), Springer, Heidelberg, Germany, 2004 (inbook)

ei

PDF [BibTex]

PDF [BibTex]


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A Primer on Kernel Methods

Vert, J., Tsuda, K., Schölkopf, B.

In Kernel Methods in Computational Biology, pages: 35-70, (Editors: B Schölkopf and K Tsuda and JP Vert), MIT Press, Cambridge, MA, USA, 2004 (inbook)

ei

PDF [BibTex]

PDF [BibTex]


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Concentration Inequalities

Boucheron, S., Lugosi, G., Bousquet, O.

In Lecture Notes in Artificial Intelligence 3176, pages: 208-240, (Editors: Bousquet, O., U. von Luxburg and G. Rätsch), Springer, Heidelberg, Germany, 2004 (inbook)

ei

PDF [BibTex]

PDF [BibTex]


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Kernels for graphs

Kashima, H., Tsuda, K., Inokuchi, A.

In pages: 155-170, (Editors: Schoelkopf, B., K. Tsuda and J.P. Vert), MIT Press, Cambridge, MA; USA, 2004 (inbook)

ei

PDF [BibTex]

PDF [BibTex]


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A primer on molecular biology

Zien, A.

In pages: 3-34, (Editors: Schoelkopf, B., K. Tsuda and J. P. Vert), MIT Press, Cambridge, MA, USA, 2004 (inbook)

Abstract
Modern molecular biology provides a rich source of challenging machine learning problems. This tutorial chapter aims to provide the necessary biological background knowledge required to communicate with biologists and to understand and properly formalize a number of most interesting problems in this application domain. The largest part of the chapter (its first section) is devoted to the cell as the basic unit of life. Four aspects of cells are reviewed in sequence: (1) the molecules that cells make use of (above all, proteins, RNA, and DNA); (2) the spatial organization of cells (``compartmentalization''); (3) the way cells produce proteins (``protein expression''); and (4) cellular communication and evolution (of cells and organisms). In the second section, an overview is provided of the most frequent measurement technologies, data types, and data sources. Finally, important open problems in the analysis of these data (bioinformatics challenges) are briefly outlined.

ei

PDF PostScript Web [BibTex]

PDF PostScript Web [BibTex]


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Nanoscale Materials for Energy Storage
{Materials Science \& Engineering B}, 108, pages: 292, Elsevier, 2004 (misc)

mms

[BibTex]

[BibTex]


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Computational approaches to motor learning by imitation

Schaal, S., Ijspeert, A., Billard, A.

In The Neuroscience of Social Interaction, (1431):199-218, (Editors: Frith, C. D.;Wolpert, D.), Oxford University Press, Oxford, 2004, clmc (inbook)

Abstract
Movement imitation requires a complex set of mechanisms that map an observed movement of a teacher onto one's own movement apparatus. Relevant problems include movement recognition, pose estimation, pose tracking, body correspondence, coordinate transformation from external to egocentric space, matching of observed against previously learned movement, resolution of redundant degrees-of-freedom that are unconstrained by the observation, suitable movement representations for imitation, modularization of motor control, etc. All of these topics by themselves are active research problems in computational and neurobiological sciences, such that their combination into a complete imitation system remains a daunting undertaking - indeed, one could argue that we need to understand the complete perception-action loop. As a strategy to untangle the complexity of imitation, this paper will examine imitation purely from a computational point of view, i.e. we will review statistical and mathematical approaches that have been suggested for tackling parts of the imitation problem, and discuss their merits, disadvantages and underlying principles. Given the focus on action recognition of other contributions in this special issue, this paper will primarily emphasize the motor side of imitation, assuming that a perceptual system has already identified important features of a demonstrated movement and created their corresponding spatial information. Based on the formalization of motor control in terms of control policies and their associated performance criteria, useful taxonomies of imitation learning can be generated that clarify different approaches and future research directions.

am

link (url) [BibTex]

link (url) [BibTex]


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Effect of Grain Boundary Phase Transitions on the Superplasticity in the Al-Zn System

Lopez, G.A., Straumal, B.B., Gust, W., Mittemeijer, E.J.

In Nanomaterials by Severe Plastic Deformation, pages: 642-647, Wiley-VCH Verlag, Weinheim, 2004 (incollection)

mms

[BibTex]

[BibTex]

2002


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Learning robot control

Schaal, S.

In The handbook of brain theory and neural networks, 2nd Edition, pages: 983-987, 2, (Editors: Arbib, M. A.), MIT Press, Cambridge, MA, 2002, clmc (inbook)

Abstract
This is a review article on learning control in robots.

am

link (url) [BibTex]

2002


link (url) [BibTex]


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Arm and hand movement control

Schaal, S.

In The handbook of brain theory and neural networks, 2nd Edition, pages: 110-113, 2, (Editors: Arbib, M. A.), MIT Press, Cambridge, MA, 2002, clmc (inbook)

Abstract
This is a review article on computational and biological research on arm and hand control.

am

link (url) [BibTex]

link (url) [BibTex]


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Rumpfniveau-Photoemissions-Spektroskopie an Platinclustern auf HOPG

Schneider, N.

Würzburg, 2002 (misc)

mms

[BibTex]


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Photoelektronenspektroskopie an deponierten Nickelclustern

Wiesner, B.

Würzburg, 2002 (misc)

mms

[BibTex]


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Ion Channeling in Quasicrystals

Plachke, D., Carstanjen, H. D.

In Quasicrystals. An Introduction to Structure, Physical Properties and Applications, 55, pages: 280-304, Springer Series in Materials Science, Springer, Berlin [et al.], 2002 (incollection)

mms

[BibTex]

[BibTex]

1991


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Ways to smarter CAD-systems

Ehrlenspiel, K., Schaal, S.

In Proceedings of ICED’91Heurista, pages: 10-16, (Editors: Hubka), Edition, Schriftenreihe WDK 21. Zürich, 1991, clmc (inbook)

am

[BibTex]

1991


[BibTex]