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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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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)

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link (url) [BibTex]

link (url) [BibTex]

2003


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Extension of the nu-SVM range for classification

Perez-Cruz, F., Weston, J., Herrmann, D., Schölkopf, B.

In Advances in Learning Theory: Methods, Models and Applications, NATO Science Series III: Computer and Systems Sciences, Vol. 190, 190, pages: 179-196, NATO Science Series III: Computer and Systems Sciences, (Editors: J Suykens and G Horvath and S Basu and C Micchelli and J Vandewalle), IOS Press, Amsterdam, 2003 (inbook)

ei

[BibTex]

2003


[BibTex]


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An Introduction to Support Vector Machines

Schölkopf, B.

In Recent Advances and Trends in Nonparametric Statistics , pages: 3-17, (Editors: MG Akritas and DN Politis), Elsevier, Amsterdam, The Netherlands, 2003 (inbook)

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Statistical Learning and Kernel Methods in Bioinformatics

Schölkopf, B., Guyon, I., Weston, J.

In Artificial Intelligence and Heuristic Methods in Bioinformatics, 183, pages: 1-21, 3, (Editors: P Frasconi und R Shamir), IOS Press, Amsterdam, The Netherlands, 2003 (inbook)

ei

[BibTex]

[BibTex]


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A Short Introduction to Learning with Kernels

Schölkopf, B., Smola, A.

In Proceedings of the Machine Learning Summer School, Lecture Notes in Artificial Intelligence, Vol. 2600, pages: 41-64, LNAI 2600, (Editors: S Mendelson and AJ Smola), Springer, Berlin, Heidelberg, Germany, 2003 (inbook)

ei

[BibTex]

[BibTex]


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Bayesian Kernel Methods

Smola, A., Schölkopf, B.

In Advanced Lectures on Machine Learning, Machine Learning Summer School 2002, Lecture Notes in Computer Science, Vol. 2600, LNAI 2600, pages: 65-117, 0, (Editors: S Mendelson and AJ Smola), Springer, Berlin, Germany, 2003 (inbook)

ei

DOI [BibTex]

DOI [BibTex]


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Stability of ensembles of kernel machines

Elisseeff, A., Pontil, M.

In 190, pages: 111-124, NATO Science Series III: Computer and Systems Science, (Editors: Suykens, J., G. Horvath, S. Basu, C. Micchelli and J. Vandewalle), IOS press, Netherlands, 2003 (inbook)

ei

[BibTex]

[BibTex]


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Investigation of the Initial Oxidation of Surfaces of Quasicrystals by High-Resolution RBS and ERDA

Plachke, D., Khellaf, A., Kurth, M., Szökefalvi-Nagy, A., Carstanjen, H. D.

In Quasicrystals: Structure and Physical Properties, pages: 598-614, Wiley-VCH GmbH & Co. KGaA, Weinheim, 2003 (incollection)

mms

[BibTex]

[BibTex]


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AMOC in positron and positronium chemistry

Stoll, H., Castellaz, P., Siegle, A.

In Principles and Applications of Positron and Positronium Chemistry, pages: 344-366, World Scientific Publishers, Singapore, 2003 (incollection)

mms

[BibTex]

[BibTex]

1995


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Batting a ball: Dynamics of a rhythmic skill

Sternad, D., Schaal, S., Atkeson, C. G.

In Studies in Perception and Action, pages: 119-122, (Editors: Bardy, B.;Bostma, R.;Guiard, Y.), Erlbaum, Hillsdayle, NJ, 1995, clmc (inbook)

am

[BibTex]

1995


[BibTex]