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2009


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Text Clustering with Mixture of von Mises-Fisher Distributions

Sra, S., Banerjee, A., Ghosh, J., Dhillon, I.

In Text mining: classification, clustering, and applications, pages: 121-161, Chapman & Hall/CRC data mining and knowledge discovery series, (Editors: Srivastava, A. N. and Sahami, M.), CRC Press, Boca Raton, FL, USA, June 2009 (inbook)

ei

Web DOI [BibTex]

2009


Web DOI [BibTex]


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Data Mining for Biologists

Tsuda, K.

In Biological Data Mining in Protein Interaction Networks, pages: 14-27, (Editors: Li, X. and Ng, S.-K.), Medical Information Science Reference, Hershey, PA, USA, May 2009 (inbook)

Abstract
In this tutorial chapter, we review basics about frequent pattern mining algorithms, including itemset mining, association rule mining and graph mining. These algorithms can find frequently appearing substructures in discrete data. They can discover structural motifs, for example, from mutation data, protein structures and chemical compounds. As they have been primarily used for business data, biological applications are not so common yet, but their potential impact would be large. Recent advances in computers including multicore machines and ever increasing memory capacity support the application of such methods to larger datasets. We explain technical aspects of the algorithms, but do not go into details. Current biological applications are summarized and possible future directions are given.

ei

Web [BibTex]

Web [BibTex]


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Large Margin Methods for Part of Speech Tagging

Altun, Y.

In Automatic Speech and Speaker Recognition: Large Margin and Kernel Methods, pages: 141-160, (Editors: Keshet, J. and Bengio, S.), Wiley, Hoboken, NJ, USA, January 2009 (inbook)

ei

Web [BibTex]

Web [BibTex]


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Covariate shift and local learning by distribution matching

Gretton, A., Smola, A., Huang, J., Schmittfull, M., Borgwardt, K., Schölkopf, B.

In Dataset Shift in Machine Learning, pages: 131-160, (Editors: Quiñonero-Candela, J., Sugiyama, M., Schwaighofer, A. and Lawrence, N. D.), MIT Press, Cambridge, MA, USA, 2009 (inbook)

Abstract
Given sets of observations of training and test data, we consider the problem of re-weighting the training data such that its distribution more closely matches that of the test data. We achieve this goal by matching covariate distributions between training and test sets in a high dimensional feature space (specifically, a reproducing kernel Hilbert space). This approach does not require distribution estimation. Instead, the sample weights are obtained by a simple quadratic programming procedure. We provide a uniform convergence bound on the distance between the reweighted training feature mean and the test feature mean, a transductive bound on the expected loss of an algorithm trained on the reweighted data, and a connection to single class SVMs. While our method is designed to deal with the case of simple covariate shift (in the sense of Chapter ??), we have also found benefits for sample selection bias on the labels. Our correction procedure yields its greatest and most consistent advantages when the learning algorithm returns a classifier/regressor that is simpler" than the data might suggest.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Metal-Organic Frameworks

Panella, B., Hirscher, M.

In Encyclopedia of Electrochemical Power Sources, pages: 493-496, Elsevier, Amsterdam [et al.], 2009 (incollection)

mms

[BibTex]

[BibTex]


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Carbon Materials

Hirscher, M.

In Encyclopedia of Electrochemical Power Sources, pages: 484-487, Elsevier, Amsterdam [et al.], 2009 (incollection)

mms

[BibTex]

[BibTex]

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]

2001


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Influence of grain boundary phase transitions on the properties of Cu-Bi polycrystals

Straumal, B. B., Sluchanko, N.E., Gust, W.

In Defects and Diffusion in Metals III: An Annual Retrospective III, 188-1, pages: 185-194, Defect and Diffusion Forum, 2001 (incollection)

mms

[BibTex]

2001


[BibTex]