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243 results (View BibTeX file of all listed publications)

2003

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Feature selection and transduction for prediction of molecular bioactivity for drug design

Weston, J., Perez-Cruz, F., Bousquet, O., Chapelle, O., Elisseeff, A., Schölkopf, B.

Bioinformatics, 19(6):764-771, April 2003 (article)

Abstract
Motivation: In drug discovery a key task is to identify characteristics that separate active (binding) compounds from inactive (non-binding) ones. An automated prediction system can help reduce resources necessary to carry out this task. Results: Two methods for prediction of molecular bioactivity for drug design are introduced and shown to perform well in a data set previously studied as part of the KDD (Knowledge Discovery and Data Mining) Cup 2001. The data is characterized by very few positive examples, a very large number of features (describing three-dimensional properties of the molecules) and rather different distributions between training and test data. Two techniques are introduced specifically to tackle these problems: a feature selection method for unbalanced data and a classifier which adapts to the distribution of the the unlabeled test data (a so-called transductive method). We show both techniques improve identification performance and in conjunction provide an improvement over using only one of the techniques. Our results suggest the importance of taking into account the characteristics in this data which may also be relevant in other problems of a similar type.

Web [BibTex]

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Use of the Zero-Norm with Linear Models and Kernel Methods

Weston, J., Elisseeff, A., Schölkopf, B., Tipping, M.

Journal of Machine Learning Research, 3, pages: 1439-1461, March 2003 (article)

Abstract
We explore the use of the so-called zero-norm of the parameters of linear models in learning. Minimization of such a quantity has many uses in a machine learning context: for variable or feature selection, minimizing training error and ensuring sparsity in solutions. We derive a simple but practical method for achieving these goals and discuss its relationship to existing techniques of minimizing the zero-norm. The method boils down to implementing a simple modification of vanilla SVM, namely via an iterative multiplicative rescaling of the training data. Applications we investigate which aid our discussion include variable and feature selection on biological microarray data, and multicategory classification.

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Weston, J., Elisseeff, A., Schölkopf, B., Tipping, M. Use of the Zero-Norm with Linear Models and Kernel Methods Journal of Machine Learning Research, 3, pages: 1439-1461, March 2003 (article)

PDF PostScript PDF [BibTex]

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An Introduction to Variable and Feature Selection.

Guyon, I., Elisseeff, A.

Journal of Machine Learning, 3, pages: 1157-1182, 2003 (article)

[BibTex]

Guyon, I., Elisseeff, A. An Introduction to Variable and Feature Selection. Journal of Machine Learning, 3, pages: 1157-1182, 2003 (article)

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Dynamics of a rigid body in a Stokes fluid

Gonzalez, O., Graf, ABA., Maddocks, JH.

Journal of Fluid Mechanics, 2003 (article) Accepted

[BibTex]

Gonzalez, O., Graf, ABA., Maddocks, JH. Dynamics of a rigid body in a Stokes fluid Journal of Fluid Mechanics, 2003 (article) Accepted

[BibTex]

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A novel transient heater-foil technique for liquid crystal experiments on film cooled surfaces

Vogel, G., Graf, ABA., von Wolfersdorf, J., Weigand, B.

ASME Journal of Turbomachinery, 125, pages: 529-537, 2003 (article)

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Vogel, G., Graf, ABA., von Wolfersdorf, J., Weigand, B. A novel transient heater-foil technique for liquid crystal experiments on film cooled surfaces ASME Journal of Turbomachinery, 125, pages: 529-537, 2003 (article)

PDF [BibTex]

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Microarrays: How Many Do You Need?

Zien, A., Fluck, J., Zimmer, R., Lengauer, T.

Journal of Computational Biology, 10(3-4):653-667, 2003 (article)

Abstract
We estimate the number of microarrays that is required in order to gain reliable results from a common type of study: the pairwise comparison of different classes of samples. We show that current knowledge allows for the construction of models that look realistic with respect to searches for individual differentially expressed genes and derive prototypical parameters from real data sets. Such models allow investigation of the dependence of the required number of samples on the relevant parameters: the biological variability of the samples within each class, the fold changes in expression that are desired to be detected, the detection sensitivity of the microarrays, and the acceptable error rates of the results. We supply experimentalists with general conclusions as well as a freely accessible Java applet at www.scai.fhg.de/special/bio/howmanyarrays/ for fine tuning simulations to their particular settings.

Web [BibTex]

Zien, A., Fluck, J., Zimmer, R., Lengauer, T. Microarrays: How Many Do You Need? Journal of Computational Biology, 10(3-4):653-667, 2003 (article)

Web [BibTex]

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New Approaches to Statistical Learning Theory

Bousquet, O.

Annals of the Institute of Statistical Mathematics, 55(2):371-389, 2003 (article)

Abstract
We present new tools from probability theory that can be applied to the analysis of learning algorithms. These tools allow to derive new bounds on the generalization performance of learning algorithms and to propose alternative measures of the complexity of the learning task, which in turn can be used to derive new learning algorithms.

PostScript [BibTex]

Bousquet, O. New Approaches to Statistical Learning Theory Annals of the Institute of Statistical Mathematics, 55(2):371-389, 2003 (article)

PostScript [BibTex]

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Gene expression in chondrocytes assessed with use of microarrays

Aigner, T., Zien, A., Hanisch, D., Zimmer, R.

Journal of Bone and Joint Surgery, 85(Suppl 2):117-123, 2003 (article)

[BibTex]

Aigner, T., Zien, A., Hanisch, D., Zimmer, R. Gene expression in chondrocytes assessed with use of microarrays Journal of Bone and Joint Surgery, 85(Suppl 2):117-123, 2003 (article)

[BibTex]

2002

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Optimized Support Vector Machines for Nonstationary Signal Classification

Davy, M., Gretton, A., Doucet, A., Rayner, P.

IEEE Signal Processing Letters, 9(12):442-445, December 2002 (article)

Abstract
This letter describes an efficient method to perform nonstationary signal classification. A support vector machine (SVM) algorithm is introduced and its parameters optimised in a principled way. Simulations demonstrate that our low complexity method outperforms state-of-the-art nonstationary signal classification techniques.

PostScript Web DOI [BibTex]

2002

Davy, M., Gretton, A., Doucet, A., Rayner, P. Optimized Support Vector Machines for Nonstationary Signal Classification IEEE Signal Processing Letters, 9(12):442-445, December 2002 (article)

PostScript Web DOI [BibTex]

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A New Discriminative Kernel from Probabilistic Models

Tsuda, K., Kawanabe, M., Rätsch, G., Sonnenburg, S., Müller, K.

Neural Computation, 14(10):2397-2414, October 2002 (article)

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Tsuda, K., Kawanabe, M., Rätsch, G., Sonnenburg, S., Müller, K. A New Discriminative Kernel from Probabilistic Models Neural Computation, 14(10):2397-2414, October 2002 (article)

PDF [BibTex]

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Functional Genomics of Osteoarthritis

Aigner, T., Bartnik, E., Zien, A., Zimmer, R.

Pharmacogenomics, 3(5):635-650, September 2002 (article)

Web [BibTex]

Aigner, T., Bartnik, E., Zien, A., Zimmer, R. Functional Genomics of Osteoarthritis Pharmacogenomics, 3(5):635-650, September 2002 (article)

Web [BibTex]

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Constructing Boosting algorithms from SVMs: an application to one-class classification.

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

IEEE Transactions on Pattern Analysis and Machine Intelligence, 24(9):1184-1199, September 2002 (article)

Abstract
We show via an equivalence of mathematical programs that a support vector (SV) algorithm can be translated into an equivalent boosting-like algorithm and vice versa. We exemplify this translation procedure for a new algorithm—one-class leveraging—starting from the one-class support vector machine (1-SVM). This is a first step toward unsupervised learning in a boosting framework. Building on so-called barrier methods known from the theory of constrained optimization, it returns a function, written as a convex combination of base hypotheses, that characterizes whether a given test point is likely to have been generated from the distribution underlying the training data. Simulations on one-class classification problems demonstrate the usefulness of our approach.

DOI [BibTex]

Rätsch, G., Mika, S., Schölkopf, B., Müller, K. Constructing Boosting algorithms from SVMs: an application to one-class classification. IEEE Transactions on Pattern Analysis and Machine Intelligence, 24(9):1184-1199, September 2002 (article)

DOI [BibTex]

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Co-Clustering of Biological Networks and Gene Expression Data

Hanisch, D., Zien, A., Zimmer, R., Lengauer, T.

Bioinformatics, (Suppl 1):145S-154S, 18, July 2002 (article)

Abstract
Motivation: Large scale gene expression data are often analysed by clustering genes based on gene expression data alone, though a priori knowledge in the form of biological networks is available. The use of this additional information promises to improve exploratory analysis considerably. Results: We propose constructing a distance function which combines information from expression data and biological networks. Based on this function, we compute a joint clustering of genes and vertices of the network. This general approach is elaborated for metabolic networks. We define a graph distance function on such networks and combine it with a correlation-based distance function for gene expression measurements. A hierarchical clustering and an associated statistical measure is computed to arrive at a reasonable number of clusters. Our method is validated using expression data of the yeast diauxic shift. The resulting clusters are easily interpretable in terms of the biochemical network and the gene expression data and suggest that our method is able to automatically identify processes that are relevant under the measured conditions.

Web [BibTex]

Hanisch, D., Zien, A., Zimmer, R., Lengauer, T. Co-Clustering of Biological Networks and Gene Expression Data Bioinformatics, (Suppl 1):145S-154S, 18, July 2002 (article)

Web [BibTex]

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Confidence measures for protein fold recognition

Sommer, I., Zien, A., von Ohsen, N., Zimmer, R., Lengauer, T.

Bioinformatics, 18(6):802-812, June 2002 (article)

[BibTex]

Sommer, I., Zien, A., von Ohsen, N., Zimmer, R., Lengauer, T. Confidence measures for protein fold recognition Bioinformatics, 18(6):802-812, June 2002 (article)

[BibTex]

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The contributions of color to recognition memory for natural scenes

Wichmann, F., Sharpe, L., Gegenfurtner, K.

Journal of Experimental Psychology: Learning, Memory and Cognition, 28(3):509-520, May 2002 (article)

Abstract
The authors used a recognition memory paradigm to assess the influence of color information on visual memory for images of natural scenes. Subjects performed 5-10% better for colored than for black-and-white images independent of exposure duration. Experiment 2 indicated little influence of contrast once the images were suprathreshold, and Experiment 3 revealed that performance worsened when images were presented in color and tested in black and white, or vice versa, leading to the conclusion that the surface property color is part of the memory representation. Experiments 4 and 5 exclude the possibility that the superior recognition memory for colored images results solely from attentional factors or saliency. Finally, the recognition memory advantage disappears for falsely colored images of natural scenes: The improvement in recognition memory depends on the color congruence of presented images with learned knowledge about the color gamut found within natural scenes. The results can be accounted for within a multiple memory systems framework.

PDF Web DOI [BibTex]

Wichmann, F., Sharpe, L., Gegenfurtner, K. The contributions of color to recognition memory for natural scenes Journal of Experimental Psychology: Learning, Memory and Cognition, 28(3):509-520, May 2002 (article)

PDF Web DOI [BibTex]

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Training invariant support vector machines

DeCoste, D., Schölkopf, B.

Machine Learning, 46(1-3):161-190, January 2002 (article)

Abstract
Practical experience has shown that in order to obtain the best possible performance, prior knowledge about invariances of a classification problem at hand ought to be incorporated into the training procedure. We describe and review all known methods for doing so in support vector machines, provide experimental results, and discuss their respective merits. One of the significant new results reported in this work is our recent achievement of the lowest reported test error on the well-known MNIST digit recognition benchmark task, with SVM training times that are also significantly faster than previous SVM methods.

PDF DOI [BibTex]

DeCoste, D., Schölkopf, B. Training invariant support vector machines Machine Learning, 46(1-3):161-190, January 2002 (article)

PDF DOI [BibTex]

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Model Selection for Small Sample Regression

Chapelle, O., Vapnik, V., Bengio, Y.

Machine Learning, 48(1-3):9-23, 2002 (article)

Abstract
Model selection is an important ingredient of many machine learning algorithms, in particular when the sample size in small, in order to strike the right trade-off between overfitting and underfitting. Previous classical results for linear regression are based on an asymptotic analysis. We present a new penalization method for performing model selection for regression that is appropriate even for small samples. Our penalization is based on an accurate estimator of the ratio of the expected training error and the expected generalization error, in terms of the expected eigenvalues of the input covariance matrix.

PostScript [BibTex]

Chapelle, O., Vapnik, V., Bengio, Y. Model Selection for Small Sample Regression Machine Learning, 48(1-3):9-23, 2002 (article)

PostScript [BibTex]

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Contrast discrimination with sinusoidal gratings of different spatial frequency

Bird, C., Henning, G., Wichmann, F.

Journal of the Optical Society of America A, 19(7), pages: 1267-1273, 2002 (article)

Abstract
The detectability of contrast increments was measured as a function of the contrast of a masking or “pedestal” grating at a number of different spatial frequencies ranging from 2 to 16 cycles per degree of visual angle. The pedestal grating always had the same orientation, spatial frequency and phase as the signal. The shape of the contrast increment threshold versus pedestal contrast (TvC) functions depend of the performance level used to define the “threshold,” but when both axes are normalized by the contrast corresponding to 75% correct detection at each frequency, the (TvC) functions at a given performance level are identical. Confidence intervals on the slope of the rising part of the TvC functions are so wide that it is not possible with our data to reject Weber’s Law.

PDF [BibTex]

Bird, C., Henning, G., Wichmann, F. Contrast discrimination with sinusoidal gratings of different spatial frequency Journal of the Optical Society of America A, 19(7), pages: 1267-1273, 2002 (article)

PDF [BibTex]

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A Bennett Concentration Inequality and Its Application to Suprema of Empirical Processes

Bousquet, O.

C. R. Acad. Sci. Paris, Ser. I, 334, pages: 495-500, 2002 (article)

Abstract
We introduce new concentration inequalities for functions on product spaces. They allow to obtain a Bennett type deviation bound for suprema of empirical processes indexed by upper bounded functions. The result is an improvement on Rio's version \cite{Rio01b} of Talagrand's inequality \cite{Talagrand96} for equidistributed variables.

PDF PostScript [BibTex]

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Numerical evolution of axisymmetric, isolated systems in general relativity

Frauendiener, J., Hein, M.

Physical Review D, 66, pages: 124004-124004, 2002 (article)

Abstract
We describe in this article a new code for evolving axisymmetric isolated systems in general relativity. Such systems are described by asymptotically flat space-times, which have the property that they admit a conformal extension. We are working directly in the extended conformal manifold and solve numerically Friedrich's conformal field equations, which state that Einstein's equations hold in the physical space-time. Because of the compactness of the conformal space-time the entire space-time can be calculated on a finite numerical grid. We describe in detail the numerical scheme, especially the treatment of the axisymmetry and the boundary.

GZIP [BibTex]

Frauendiener, J., Hein, M. Numerical evolution of axisymmetric, isolated systems in general relativity Physical Review D, 66, pages: 124004-124004, 2002 (article)

GZIP [BibTex]

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Marginalized kernels for biological sequences

Tsuda, K., Kin, T., Asai, K.

Bioinformatics, 18(Suppl 1):268-275, 2002 (article)

PDF [BibTex]

Tsuda, K., Kin, T., Asai, K. Marginalized kernels for biological sequences Bioinformatics, 18(Suppl 1):268-275, 2002 (article)

PDF [BibTex]

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Stability and Generalization

Bousquet, O., Elisseeff, A.

Journal of Machine Learning Research, 2, pages: 499-526, 2002 (article)

Abstract
We define notions of stability for learning algorithms and show how to use these notions to derive generalization error bounds based on the empirical error and the leave-one-out error. The methods we use can be applied in the regression framework as well as in the classification one when the classifier is obtained by thresholding a real-valued function. We study the stability properties of large classes of learning algorithms such as regularization based algorithms. In particular we focus on Hilbert space regularization and Kullback-Leibler regularization. We demonstrate how to apply the results to SVM for regression and classification.

PDF PostScript [BibTex]

Bousquet, O., Elisseeff, A. Stability and Generalization Journal of Machine Learning Research, 2, pages: 499-526, 2002 (article)

PDF PostScript [BibTex]

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Subspace information criterion for non-quadratic regularizers – model selection for sparse regressors

Tsuda, K., Sugiyama, M., Müller, K.

IEEE Trans Neural Networks, 13(1):70-80, 2002 (article)

PDF [BibTex]

Tsuda, K., Sugiyama, M., Müller, K. Subspace information criterion for non-quadratic regularizers – model selection for sparse regressors IEEE Trans Neural Networks, 13(1):70-80, 2002 (article)

PDF [BibTex]

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Modeling splicing sites with pairwise correlations

Arita, M., Tsuda, K., Asai, K.

Bioinformatics, 18(Suppl 2):27-34, 2002 (article)

PDF [BibTex]

Arita, M., Tsuda, K., Asai, K. Modeling splicing sites with pairwise correlations Bioinformatics, 18(Suppl 2):27-34, 2002 (article)

PDF [BibTex]

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Perfusion Quantification using Gaussian Process Deconvolution

Andersen, IK., Szymkowiak, A., Rasmussen, CE., Hanson, LG., Marstrand, JR., Larsson, HBW., Hansen, LK.

Magnetic Resonance in Medicine, (48):351-361, 2002 (article)

Abstract
The quantification of perfusion using dynamic susceptibility contrast MR imaging requires deconvolution to obtain the residual impulse-response function (IRF). Here, a method using a Gaussian process for deconvolution, GPD, is proposed. The fact that the IRF is smooth is incorporated as a constraint in the method. The GPD method, which automatically estimates the noise level in each voxel, has the advantage that model parameters are optimized automatically. The GPD is compared to singular value decomposition (SVD) using a common threshold for the singular values and to SVD using a threshold optimized according to the noise level in each voxel. The comparison is carried out using artificial data as well as using data from healthy volunteers. It is shown that GPD is comparable to SVD variable optimized threshold when determining the maximum of the IRF, which is directly related to the perfusion. GPD provides a better estimate of the entire IRF. As the signal to noise ratio increases or the time resolution of the measurements increases, GPD is shown to be superior to SVD. This is also found for large distribution volumes.

PDF PostScript [BibTex]

Andersen, IK., Szymkowiak, A., Rasmussen, CE., Hanson, LG., Marstrand, JR., Larsson, HBW., Hansen, LK. Perfusion Quantification using Gaussian Process Deconvolution Magnetic Resonance in Medicine, (48):351-361, 2002 (article)

PDF PostScript [BibTex]

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Tracking a Small Set of Experts by Mixing Past Posteriors

Bousquet, O., Warmuth, M.

Journal of Machine Learning Research, 3, pages: 363-396, (Editors: Long, P.), 2002 (article)

Abstract
In this paper, we examine on-line learning problems in which the target concept is allowed to change over time. In each trial a master algorithm receives predictions from a large set of n experts. Its goal is to predict almost as well as the best sequence of such experts chosen off-line by partitioning the training sequence into k+1 sections and then choosing the best expert for each section. We build on methods developed by Herbster and Warmuth and consider an open problem posed by Freund where the experts in the best partition are from a small pool of size m. Since k >> m, the best expert shifts back and forth between the experts of the small pool. We propose algorithms that solve this open problem by mixing the past posteriors maintained by the master algorithm. We relate the number of bits needed for encoding the best partition to the loss bounds of the algorithms. Instead of paying log n for choosing the best expert in each section we first pay log (n choose m) bits in the bounds for identifying the pool of m experts and then log m bits per new section. In the bounds we also pay twice for encoding the boundaries of the sections.

PDF PostScript [BibTex]

Bousquet, O., Warmuth, M. Tracking a Small Set of Experts by Mixing Past Posteriors Journal of Machine Learning Research, 3, pages: 363-396, (Editors: Long, P.), 2002 (article)

PDF PostScript [BibTex]

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A femoral arteriovenous shunt facilitates arterial whole blood sampling in animals

Weber, B., Burger, C., Biro, P., Buck, A.

Eur J Nucl Med Mol Imaging, 29, pages: 319-323, 2002 (article)

[BibTex]

Weber, B., Burger, C., Biro, P., Buck, A. A femoral arteriovenous shunt facilitates arterial whole blood sampling in animals Eur J Nucl Med Mol Imaging, 29, pages: 319-323, 2002 (article)

[BibTex]

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Contrast discrimination with pulse-trains in pink noise

Henning, G., Bird, C., Wichmann, F.

Journal of the Optical Society of America A, 19(7), pages: 1259-1266, 2002 (article)

Abstract
Detection performance was measured with sinusoidal and pulse-train gratings. Although the 2.09-c/deg pulse-train, or line gratings, contained at least 8 harmonics all at equal contrast, they were no more detectable than their most detectable component. The addition of broadband pink noise designed to equalize the detectability of the components of the pulse train made the pulse train about a factor of four more detectable than any of its components. However, in contrast-discrimination experiments, with a pedestal or masking grating of the same form and phase as the signal and 15% contrast, the noise did not affect the discrimination performance of the pulse train relative to that obtained with its sinusoidal components. We discuss the implications of these observations for models of early vision in particular the implications for possible sources of internal noise.

PDF [BibTex]

Henning, G., Bird, C., Wichmann, F. Contrast discrimination with pulse-trains in pink noise Journal of the Optical Society of America A, 19(7), pages: 1259-1266, 2002 (article)

PDF [BibTex]

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Choosing Multiple Parameters for Support Vector Machines

Chapelle, O., Vapnik, V., Bousquet, O., Mukherjee, S.

Machine Learning, 46(1):131-159, 2002 (article)

Abstract
The problem of automatically tuning multiple parameters for pattern recognition Support Vector Machines (SVM) is considered. This is done by minimizing some estimates of the generalization error of SVMs using a gradient descent algorithm over the set of parameters. Usual methods for choosing parameters, based on exhaustive search become intractable as soon as the number of parameters exceeds two. Some experimental results assess the feasibility of our approach for a large number of parameters (more than 100) and demonstrate an improvement of generalization performance.

PDF PostScript [BibTex]

Chapelle, O., Vapnik, V., Bousquet, O., Mukherjee, S. Choosing Multiple Parameters for Support Vector Machines Machine Learning, 46(1):131-159, 2002 (article)

PDF PostScript [BibTex]

2000

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Knowledge Discovery in Databases: An Information Retrieval Perspective

Ong, CS.

Malaysian Journal of Computer Science, 13(2):54-63, December 2000 (article)

Abstract
The current trend of increasing capabilities in data generation and collection has resulted in an urgent need for data mining applications, also called knowledge discovery in databases. This paper identifies and examines the issues involved in extracting useful grains of knowledge from large amounts of data. It describes a framework to categorise data mining systems. The author also gives an overview of the issues pertaining to data pre processing, as well as various information gathering methodologies and techniques. The paper covers some popular tools such as classification, clustering, and generalisation. A summary of statistical and machine learning techniques used currently is also provided.

PDF [BibTex]

2000

Ong, CS. Knowledge Discovery in Databases: An Information Retrieval Perspective Malaysian Journal of Computer Science, 13(2):54-63, December 2000 (article)

PDF [BibTex]

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A Simple Iterative Approach to Parameter Optimization

Zien, A., Zimmer, R., Lengauer, T.

Journal of Computational Biology, 7(3,4):483-501, November 2000 (article)

Abstract
Various bioinformatics problems require optimizing several different properties simultaneously. For example, in the protein threading problem, a scoring function combines the values for different parameters of possible sequence-to-structure alignments into a single score to allow for unambiguous optimization. In this context, an essential question is how each property should be weighted. As the native structures are known for some sequences, a partial ordering on optimal alignments to other structures, e.g., derived from structural comparisons, may be used to adjust the weights. To resolve the arising interdependence of weights and computed solutions, we propose a heuristic approach: iterating the computation of solutions (here, threading alignments) given the weights and the estimation of optimal weights of the scoring function given these solutions via systematic calibration methods. For our application (i.e., threading), this iterative approach results in structurally meaningful weights that significantly improve performance on both the training and the test data sets. In addition, the optimized parameters show significant improvements on the recognition rate for a grossly enlarged comprehensive benchmark, a modified recognition protocol as well as modified alignment types (local instead of global and profiles instead of single sequences). These results show the general validity of the optimized weights for the given threading program and the associated scoring contributions.

Web [BibTex]

Zien, A., Zimmer, R., Lengauer, T. A Simple Iterative Approach to Parameter Optimization Journal of Computational Biology, 7(3,4):483-501, November 2000 (article)

Web [BibTex]

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Identification of Drug Target Proteins

Zien, A., Küffner, R., Mevissen, T., Zimmer, R., Lengauer, T.

ERCIM News, 43, pages: 16-17, October 2000 (article)

Web [BibTex]

Zien, A., Küffner, R., Mevissen, T., Zimmer, R., Lengauer, T. Identification of Drug Target Proteins ERCIM News, 43, pages: 16-17, October 2000 (article)

Web [BibTex]

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Engineering Support Vector Machine Kernels That Recognize Translation Initiation Sites

Zien, A., Rätsch, G., Mika, S., Schölkopf, B., Lengauer, T., Müller, K.

Bioinformatics, 16(9):799-807, September 2000 (article)

Abstract
Motivation: In order to extract protein sequences from nucleotide sequences, it is an important step to recognize points at which regions start that code for proteins. These points are called translation initiation sites (TIS). Results: The task of finding TIS can be modeled as a classification problem. We demonstrate the applicability of support vector machines for this task, and show how to incorporate prior biological knowledge by engineering an appropriate kernel function. With the described techniques the recognition performance can be improved by 26% over leading existing approaches. We provide evidence that existing related methods (e.g. ESTScan) could profit from advanced TIS recognition.

Web DOI [BibTex]

Zien, A., Rätsch, G., Mika, S., Schölkopf, B., Lengauer, T., Müller, K. Engineering Support Vector Machine Kernels That Recognize Translation Initiation Sites Bioinformatics, 16(9):799-807, September 2000 (article)

Web DOI [BibTex]

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A Meanfield Approach to the Thermodynamics of a Protein-Solvent System with Application to the Oligomerization of the Tumour Suppressor p53.

Noolandi, J., Davison, TS., Vokel, A., Nie, F., Kay, C., Arrowsmith, C.

Proceedings of the National Academy of Sciences of the United States of America, 97(18):9955-9960, August 2000 (article)

Web [BibTex]

Noolandi, J., Davison, TS., Vokel, A., Nie, F., Kay, C., Arrowsmith, C. A Meanfield Approach to the Thermodynamics of a Protein-Solvent System with Application to the Oligomerization of the Tumour Suppressor p53. Proceedings of the National Academy of Sciences of the United States of America, 97(18):9955-9960, August 2000 (article)

Web [BibTex]

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New Support Vector Algorithms

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

Neural Computation, 12(5):1207-1245, May 2000 (article)

Abstract
We propose a new class of support vector algorithms for regression and classification. In these algorithms, a parameter {nu} lets one effectively control the number of support vectors. While this can be useful in its own right, the parameterization has the additional benefit of enabling us to eliminate one of the other free parameters of the algorithm: the accuracy parameter {epsilon} in the regression case, and the regularization constant C in the classification case. We describe the algorithms, give some theoretical results concerning the meaning and the choice of {nu}, and report experimental results.

Web DOI [BibTex]

Schölkopf, B., Smola, A., Williamson, R., Bartlett, P. New Support Vector Algorithms Neural Computation, 12(5):1207-1245, May 2000 (article)

Web DOI [BibTex]

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Bounds on Error Expectation for Support Vector Machines

Vapnik, V., Chapelle, O.

Neural Computation, 12(9):2013-2036, 2000 (article)

Abstract
We introduce the concept of span of support vectors (SV) and show that the generalization ability of support vector machines (SVM) depends on this new geometrical concept. We prove that the value of the span is always smaller (and can be much smaller) than the diameter of the smallest sphere containing th e support vectors, used in previous bounds. We also demonstate experimentally that the prediction of the test error given by the span is very accurate and has direct application in model selection (choice of the optimal parameters of the SVM)

GZIP [BibTex]

Vapnik, V., Chapelle, O. Bounds on Error Expectation for Support Vector Machines Neural Computation, 12(9):2013-2036, 2000 (article)

GZIP [BibTex]

1999

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Lernen mit Kernen: Support-Vektor-Methoden zur Analyse hochdimensionaler Daten

Schölkopf, B., Müller, K., Smola, A.

Informatik - Forschung und Entwicklung, 14(3):154-163, September 1999 (article)

Abstract
We describe recent developments and results of statistical learning theory. In the framework of learning from examples, two factors control generalization ability: explaining the training data by a learning machine of a suitable complexity. We describe kernel algorithms in feature spaces as elegant and efficient methods of realizing such machines. Examples thereof are Support Vector Machines (SVM) and Kernel PCA (Principal Component Analysis). More important than any individual example of a kernel algorithm, however, is the insight that any algorithm that can be cast in terms of dot products can be generalized to a nonlinear setting using kernels. Finally, we illustrate the significance of kernel algorithms by briefly describing industrial and academic applications, including ones where we obtained benchmark record results.

PDF PDF DOI [BibTex]

1999

Schölkopf, B., Müller, K., Smola, A. Lernen mit Kernen: Support-Vektor-Methoden zur Analyse hochdimensionaler Daten Informatik - Forschung und Entwicklung, 14(3):154-163, September 1999 (article)

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Input space versus feature space in kernel-based methods

Schölkopf, B., Mika, S., Burges, C., Knirsch, P., Müller, K., Rätsch, G., Smola, A.

IEEE Transactions On Neural Networks, 10(5):1000-1017, September 1999 (article)

Abstract
This paper collects some ideas targeted at advancing our understanding of the feature spaces associated with support vector (SV) kernel functions. We first discuss the geometry of feature space. In particular, we review what is known about the shape of the image of input space under the feature space map, and how this influences the capacity of SV methods. Following this, we describe how the metric governing the intrinsic geometry of the mapped surface can be computed in terms of the kernel, using the example of the class of inhomogeneous polynomial kernels, which are often used in SV pattern recognition. We then discuss the connection between feature space and input space by dealing with the question of how one can, given some vector in feature space, find a preimage (exact or approximate) in input space. We describe algorithms to tackle this issue, and show their utility in two applications of kernel methods. First, we use it to reduce the computational complexity of SV decision functions; second, we combine it with the kernel PCA algorithm, thereby constructing a nonlinear statistical denoising technique which is shown to perform well on real-world data.

Web DOI [BibTex]

Schölkopf, B., Mika, S., Burges, C., Knirsch, P., Müller, K., Rätsch, G., Smola, A. Input space versus feature space in kernel-based methods IEEE Transactions On Neural Networks, 10(5):1000-1017, September 1999 (article)

Web DOI [BibTex]

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p73 and p63 are homotetramers capable of weak heterotypic interactions with each other but not with p53.

Davison, T., Vagner, C., Kaghad, M., Ayed, A., Caput, D., CH, ..

Journal of Biological Chemistry, 274(26):18709-18714, June 1999 (article)

Abstract
Mutations in the p53 tumor suppressor gene are the most frequent genetic alterations found in human cancers. Recent identification of two human homologues of p53 has raised the prospect of functional interactions between family members via a conserved oligomerization domain. Here we report in vitro and in vivo analysis of homo- and hetero-oligomerization of p53 and its homologues, p63 and p73. The oligomerization domains of p63 and p73 can independently fold into stable homotetramers, as previously observed for p53. However, the oligomerization domain of p53 does not associate with that of either p73 or p63, even when p53 is in 15-fold excess. On the other hand, the oligomerization domains of p63 and p73 are able to weakly associate with one another in vitro. In vivo co-transfection assays of the ability of p53 and its homologues to activate reporter genes showed that a DNA-binding mutant of p53 was not able to act in a dominant negative manner over wild-type p73 or p63 but that a p73 mutant could inhibit the activity of wild-type p63. These data suggest that mutant p53 in cancer cells will not interact with endogenous or exogenous p63 or p73 via their respective oligomerization domains. It also establishes that the multiple isoforms of p63 as well as those of p73 are capable of interacting via their common oligomerization domain.

Web [BibTex]

Davison, T., Vagner, C., Kaghad, M., Ayed, A., Caput, D., CH, .. p73 and p63 are homotetramers capable of weak heterotypic interactions with each other but not with p53. Journal of Biological Chemistry, 274(26):18709-18714, June 1999 (article)

Web [BibTex]

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Spatial Learning and Localization in Animals: A Computational Model and Its Implications for Mobile Robots

Balakrishnan, K., Bousquet, O., Honavar, V.

Adaptive Behavior, 7(2):173-216, 1999 (article)

[BibTex]

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SVMs for Histogram Based Image Classification

Chapelle, O., Haffner, P., Vapnik, V.

IEEE Transactions on Neural Networks, (9), 1999 (article)

Abstract
Traditional classification approaches generalize poorly on image classification tasks, because of the high dimensionality of the feature space. This paper shows that Support Vector Machines (SVM) can generalize well on difficult image classification problems where the only features are high dimensional histograms. Heavy-tailed RBF kernels of the form $K(mathbf{x},mathbf{y})=e^{-rhosum_i |x_i^a-y_i^a|^{b}}$ with $aleq 1$ and $b leq 2$ are evaluated on the classification of images extracted from the Corel Stock Photo Collection and shown to far outperform traditional polynomial or Gaussian RBF kernels. Moreover, we observed that a simple remapping of the input $x_i rightarrow x_i^a$ improves the performance of linear SVMs to such an extend that it makes them, for this problem, a valid alternative to RBF kernels.

GZIP [BibTex]

Chapelle, O., Haffner, P., Vapnik, V. SVMs for Histogram Based Image Classification IEEE Transactions on Neural Networks, (9), 1999 (article)

GZIP [BibTex]