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110 results (View BibTeX file of all listed publications)

2006

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An Online Support Vector Machine for Abnormal Events Detection

Davy, M., Desobry, F., Gretton, A., Doncarli, C.

Signal Processing, 86(8):2009-2025, August 2006 (article)

Abstract
The ability to detect online abnormal events in signals is essential in many real-world Signal Processing applications. Previous algorithms require an explicit signal statistical model, and interpret abnormal events as statistical model abrupt changes. Corresponding implementation relies on maximum likelihood or on Bayes estimation theory with generally excellent performance. However, there are numerous cases where a robust and tractable model cannot be obtained, and model-free approaches need to be considered. In this paper, we investigate a machine learning, descriptor-based approach that does not require an explicit descriptors statistical model, based on Support Vector novelty detection. A sequential optimization algorithm is introduced. Theoretical considerations as well as simulations on real signals demonstrate its practical efficiency.

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2006

Davy, M., Desobry, F., Gretton, A., Doncarli, C. An Online Support Vector Machine for Abnormal Events Detection Signal Processing, 86(8):2009-2025, August 2006 (article)

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Integrating Structured Biological data by Kernel Maximum Mean Discrepancy

Borgwardt, K., Gretton, A., Rasch, M., Kriegel, H., Schölkopf, B., Smola, A.

Bioinformatics, 22(4: ISMB 2006 Conference Proceedings):e49-e57, August 2006 (article)

Abstract
Motivation: Many problems in data integration in bioinformatics can be posed as one common question: Are two sets of observations generated by the same distribution? We propose a kernel-based statistical test for this problem, based on the fact that two distributions are different if and only if there exists at least one function having different expectation on the two distributions. Consequently we use the maximum discrepancy between function means as the basis of a test statistic. The Maximum Mean Discrepancy (MMD) can take advantage of the kernel trick, which allows us to apply it not only to vectors, but strings, sequences, graphs, and other common structured data types arising in molecular biology. Results: We study the practical feasibility of an MMD-based test on three central data integration tasks: Testing cross-platform comparability of microarray data, cancer diagnosis, and data-content based schema matching for two different protein function classification schemas. In all of these experiments, including high-dimensional ones, MMD is very accurate in finding samples that were generated from the same distribution, and outperforms its best competitors. Conclusions: We have defined a novel statistical test of whether two samples are from the same distribution, compatible with both multivariate and structured data, that is fast, easy to implement, and works well, as confirmed by our experiments.

Web DOI [BibTex]

Borgwardt, K., Gretton, A., Rasch, M., Kriegel, H., Schölkopf, B., Smola, A. Integrating Structured Biological data by Kernel Maximum Mean Discrepancy Bioinformatics, 22(4: ISMB 2006 Conference Proceedings):e49-e57, August 2006 (article)

Web DOI [BibTex]

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Large Scale Transductive SVMs

Collobert, R., Sinz, F., Weston, J., Bottou, L.

Journal of Machine Learning Research, 7, pages: 1687-1712, August 2006 (article)

Abstract
We show how the Concave-Convex Procedure can be applied to the optimization of Transductive SVMs, which traditionally requires solving a combinatorial search problem. This provides for the first time a highly scalable algorithm in the nonlinear case. Detailed experiments verify the utility of our approach.

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Collobert, R., Sinz, F., Weston, J., Bottou, L. Large Scale Transductive SVMs Journal of Machine Learning Research, 7, pages: 1687-1712, August 2006 (article)

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Building Support Vector Machines with Reduced Classifier Complexity

Keerthi, S., Chapelle, O., DeCoste, D.

Journal of Machine Learning Research, 7, pages: 1493-1515, July 2006 (article)

Abstract
Support vector machines (SVMs), though accurate, are not preferred in applications requiring great classification speed, due to the number of support vectors being large. To overcome this problem we devise a primal method with the following properties: (1) it decouples the idea of basis functions from the concept of support vectors; (2) it greedily finds a set of kernel basis functions of a specified maximum size ($dmax$) to approximate the SVM primal cost function well; (3) it is efficient and roughly scales as $O(ndmax^2)$ where $n$ is the number of training examples; and, (4) the number of basis functions it requires to achieve an accuracy close to the SVM accuracy is usually far less than the number of SVM support vectors.

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Keerthi, S., Chapelle, O., DeCoste, D. Building Support Vector Machines with Reduced Classifier Complexity Journal of Machine Learning Research, 7, pages: 1493-1515, July 2006 (article)

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ARTS: Accurate Recognition of Transcription Starts in Human

Sonnenburg, S., Zien, A., Rätsch, G.

Bioinformatics, 22(14):e472-e480, July 2006 (article)

Abstract
Motivation: One of the most important features of genomic DNA are the protein-coding genes. While it is of great value to identify those genes and the encoded proteins, it is also crucial to understand how their transcription is regulated. To this end one has to identify the corresponding promoters and the contained transcription factor binding sites. TSS finders can be used to locate potential promoters. They may also be used in combination with other signal and content detectors to resolve entire gene structures. Results: We have developed a novel kernel based method - called ARTS - that accurately recognizes transcription start sites in human. The application of otherwise too computationally expensive Support Vector Machines was made possible due to the use of efficient training and evaluation techniques using suffix tries. In a carefully designed experimental study, we compare our TSS finder to state-of-the-art methods from the literature: McPromoter, Eponine and FirstEF. For given false positive rates within a reasonable range, we consistently achieve considerably higher true positive rates. For instance, ARTS finds about 24% true positives at a false positive rate of 1/1000, where the other methods find less than half (10.5%). Availability: Datasets, model selection results, whole genome predictions, and additional experimental results are available at http://www.fml.tuebingen.mpg.de/raetsch/projects/arts

Web DOI [BibTex]

Sonnenburg, S., Zien, A., Rätsch, G. ARTS: Accurate Recognition of Transcription Starts in Human Bioinformatics, 22(14):e472-e480, July 2006 (article)

Web DOI [BibTex]

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Large Scale Multiple Kernel Learning

Sonnenburg, S., Rätsch, G., Schäfer, C., Schölkopf, B.

Journal of Machine Learning Research, 7, pages: 1531-1565, July 2006 (article)

Abstract
While classical kernel-based learning algorithms are based on a single kernel, in practice it is often desirable to use multiple kernels. Lanckriet et al. (2004) considered conic combinations of kernel matrices for classification, leading to a convex quadratically constrained quadratic program. We show that it can be rewritten as a semi-infinite linear program that can be efficiently solved by recycling the standard SVM implementations. Moreover, we generalize the formulation and our method to a larger class of problems, including regression and one-class classification. Experimental results show that the proposed algorithm works for hundred thousands of examples or hundreds of kernels to be combined, and helps for automatic model selection, improving the interpretability of the learning result. In a second part we discuss general speed up mechanism for SVMs, especially when used with sparse feature maps as appear for string kernels, allowing us to train a string kernel SVM on a 10 million real-world splice data set from computational biology. We integrated multiple kernel learning in our machine learning toolbox SHOGUN for which the source code is publicly available at http://www.fml.tuebingen.mpg.de/raetsch/projects/shogun.

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Sonnenburg, S., Rätsch, G., Schäfer, C., Schölkopf, B. Large Scale Multiple Kernel Learning Journal of Machine Learning Research, 7, pages: 1531-1565, July 2006 (article)

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Factorial coding of natural images: how effective are linear models in removing higher-order dependencies?

Bethge, M.

Journal of the Optical Society of America A, 23(6):1253-1268, June 2006 (article)

Abstract
The performance of unsupervised learning models for natural images is evaluated quantitatively by means of information theory. We estimate the gain in statistical independence (the multi-information reduction) achieved with independent component analysis (ICA), principal component analysis (PCA), zero-phase whitening, and predictive coding. Predictive coding is translated into the transform coding framework, where it can be characterized by the constraint of a triangular filter matrix. A randomly sampled whitening basis and the Haar wavelet are included into the comparison as well. The comparison of all these methods is carried out for different patch sizes, ranging from 2x2 to 16x16 pixels. In spite of large differences in the shape of the basis functions, we find only small differences in the multi-information between all decorrelation transforms (5% or less) for all patch sizes. Among the second-order methods, PCA is optimal for small patch sizes and predictive coding performs best for large patch sizes. The extra gain achieved with ICA is always less than 2%. In conclusion, the `edge filters‘ found with ICA lead only to a surprisingly small improvement in terms of its actual objective.

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Classifying EEG and ECoG Signals without Subject Training for Fast BCI Implementation: Comparison of Non-Paralysed and Completely Paralysed Subjects

Hill, N., Lal, T., Schröder, M., Hinterberger, T., Wilhelm, B., Nijboer, F., Mochty, U., Widman, G., Elger, C., Schölkopf, B., Kübler, A., Birbaumer, N.

IEEE Transactions on Neural Systems and Rehabilitation Engineering, 14(2):183-186, June 2006 (article)

Abstract
We summarize results from a series of related studies that aim to develop a motor-imagery-based brain-computer interface using a single recording session of EEG or ECoG signals for each subject. We apply the same experimental and analytical methods to 11 non-paralysed subjects (8 EEG, 3 ECoG), and to 5 paralysed subjects (4 EEG, 1 ECoG) who had been unable to communicate for some time. While it was relatively easy to obtain classifiable signals quickly from most of the non-paralysed subjects, it proved impossible to classify the signals obtained from the paralysed patients by the same methods. This highlights the fact that though certain BCI paradigms may work well with healthy subjects, this does not necessarily indicate success with the target user group. We outline possible reasons for this failure to transfer.

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Hill, N., Lal, T., Schröder, M., Hinterberger, T., Wilhelm, B., Nijboer, F., Mochty, U., Widman, G., Elger, C., Schölkopf, B., Kübler, A., Birbaumer, N. Classifying EEG and ECoG Signals without Subject Training for Fast BCI Implementation: Comparison of Non-Paralysed and Completely Paralysed Subjects IEEE Transactions on Neural Systems and Rehabilitation Engineering, 14(2):183-186, June 2006 (article)

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SCARNA: Fast and Accurate Structural Alignment of RNA Sequences by Matching Fixed-Length Stem Fragments

Tabei, Y., Tsuda, K., Kin, T., Asai, K.

Bioinformatics, 22(14):1723-1729, May 2006 (article)

Abstract
The functions of non-coding RNAs are strongly related to their secondary structures, but it is known that a secondary structure prediction of a single sequence is not reliable. Therefore, we have to collect similar RNA sequences with a common secondary structure for the analyses of a new non-coding RNA without knowing the exact secondary structure itself. Therefore, the sequence comparison in searching similar RNAs should consider not only their sequence similarities but their potential secondary structures. Sankoff‘s algorithm predicts the common secondary structures of the sequences, but it is computationally too expensive to apply to large-scale analyses. Because we often want to compare a large number of cDNA sequences or to search similar RNAs in the whole genome sequences, much faster algorithms are required. We propose a new method of comparing RNA sequences based on the structural alignments of the fixed-length fragments of the stem candidates. The implemented software, SCARNA (Stem Candidate Aligner for RNAs), is fast enough to apply to the long sequences in the large-scale analyses. The accuracy of the alignments is better or comparable to the much slower existing algorithms.

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Response Modeling with Support Vector Machines

Shin, H., Cho, S.

Expert Systems with Applications, 30(4):746-760, May 2006 (article)

Abstract
Support Vector Machine (SVM) employs Structural Risk minimization (SRM) principle to generalize better than conventional machine learning methods employing the traditional Empirical Risk Minimization (ERM) principle. When applying SVM to response modeling in direct marketing,h owever,one has to deal with the practical difficulties: large training data,class imbalance and binary SVM output. This paper proposes ways to alleviate or solve the addressed difficulties through informative sampling,u se of different costs for different classes, and use of distance to decision boundary. This paper also provides various evaluation measures for response models in terms of accuracies,lift chart analysis and computational efficiency.

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Shin, H., Cho, S. Response Modeling with Support Vector Machines Expert Systems with Applications, 30(4):746-760, May 2006 (article)

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Optimizing amino acid substitution matrices with a local alignment kernel

Saigo, H., Vert, J., Akutsu, T.

BMC Bioinformatics, 7(246):1-12, May 2006 (article)

Abstract
Background Detecting remote homologies by direct comparison of protein sequences remains a challenging task. We had previously developed a similarity score between sequences, called a local alignment kernel, that exhibits good performance for this task in combination with a support vector machine. The local alignment kernel depends on an amino acid substitution matrix. Since commonly used BLOSUM or PAM matrices for scoring amino acid matches have been optimized to be used in combination with the Smith-Waterman algorithm, the matrices optimal for the local alignment kernel can be different. Results Contrary to the local alignment score computed by the Smith-Waterman algorithm, the local alignment kernel is differentiable with respect to the amino acid substitution and its derivative can be computed efficiently by dynamic programming. We optimized the substitution matrix by classical gradient descent by setting an objective function that measures how well the local alignment kernel discriminates homologs from non-homologs in the COG database. The local alignment kernel exhibits better performance when it uses the matrices and gap parameters optimized by this procedure than when it uses the matrices optimized for the Smith-Waterman algorithm. Furthermore, the matrices and gap parameters optimized for the local alignment kernel can also be used successfully by the Smith-Waterman algorithm. Conclusion This optimization procedure leads to useful substitution matrices, both for the local alignment kernel and the Smith-Waterman algorithm. The best performance for homology detection is obtained by the local alignment kernel.

Web DOI [BibTex]

Saigo, H., Vert, J., Akutsu, T. Optimizing amino acid substitution matrices with a local alignment kernel BMC Bioinformatics, 7(246):1-12, May 2006 (article)

Web DOI [BibTex]

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The Effect of Artifacts on Dependence Measurement in fMRI

Gretton, A., Belitski, A., Murayama, Y., Schölkopf, B., Logothetis, N.

Magnetic Resonance Imaging, 24(4):401-409, April 2006 (article)

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Gretton, A., Belitski, A., Murayama, Y., Schölkopf, B., Logothetis, N. The Effect of Artifacts on Dependence Measurement in fMRI Magnetic Resonance Imaging, 24(4):401-409, April 2006 (article)

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Einer für viele: Ein Linux-PC bedient mehrere Arbeitsplätze

Renner, M., Stark, S.

c‘t, 2006(10):228-235, April 2006 (article)

Abstract
Ein moderner PC ist rechenstark genug, um mehrere Anwender gleichzeitig zu bedienen; und Linux als Multi-User-System ist von Hause aus darauf vorbereitet, mehrere gleichzeitig angemeldete Benutzer mit einem eigenen grafischen Desktop zu versorgen. Mit einem Kernelpatch und ein wenig Bastelei lassen sich an einen Linux-PC sogar mehrere unabh{\"a}ngige Monitore, Tastaturen und M{\"a}use anschließen.

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Renner, M., Stark, S. Einer für viele: Ein Linux-PC bedient mehrere Arbeitsplätze c‘t, 2006(10):228-235, April 2006 (article)

Web [BibTex]

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Phase noise and the classification of natural images

Wichmann, F., Braun, D., Gegenfurtner, K.

Vision Research, 46(8-9):1520-1529, April 2006 (article)

Abstract
We measured the effect of global phase manipulations on a rapid animal categorization task. The Fourier spectra of our images of natural scenes were manipulated by adding zero-mean random phase noise at all spatial frequencies. The phase noise was the independent variable, uniformly and symmetrically distributed between 0 degree and ±180 degrees. Subjects were remarkably resistant to phase noise. Even with ±120 degree phase noise subjects were still performing at 75% correct. The high resistance of the subjects’ animal categorization rate to phase noise suggests that the visual system is highly robust to such random image changes. The proportion of correct answers closely followed the correlation between original and the phase noise-distorted images. Animal detection rate was higher when the same task was performed with contrast reduced versions of the same natural images, at contrasts where the contrast reduction mimicked that resulting from our phase randomization. Since the subjects’ categorization rate was better in the contrast experiment, reduction of local contrast alone cannot explain the performance in the phase noise experiment. This result obtained with natural images differs from those obtained for simple sinusoidal stimuli were performance changes due to phase changes are attributed to local contrast changes only. Thus the global phasechange accompanying disruption of image structure such as edges and object boundaries at different spatial scales reduces object classification over and above the performance deficit resulting from reducing contrast. Additional colour information improves the categorization performance by 2 %.

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Wichmann, F., Braun, D., Gegenfurtner, K. Phase noise and the classification of natural images Vision Research, 46(8-9):1520-1529, April 2006 (article)

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Functional census of mutation sequence spaces: The example of p53 cancer rescue mutants

Danziger, S., Swamidass, S., Zeng, J., Dearth, L., Lu, Q., Cheng, J., Cheng, J., Hoang, V., Saigo, H., Luo, R., Baldi, P., Brachmann, R., Lathrop, R.

IEEE Transactions on Computational Biology and Bioinformatics, 3(2):114-125, April 2006 (article)

Abstract
Many biomedical problems relate to mutant functional properties across a sequence space of interest, e.g., flu, cancer, and HIV. Detailed knowledge of mutant properties and function improves medical treatment and prevention. A functional census of p53 cancer rescue mutants would aid the search for cancer treatments from p53 mutant rescue. We devised a general methodology for conducting a functional census of a mutation sequence space by choosing informative mutants early. The methodology was tested in a double-blind predictive test on the functional rescue property of 71 novel putative p53 cancer rescue mutants iteratively predicted in sets of three (24 iterations). The first double-blind 15-point moving accuracy was 47 percent and the last was 86 percent; r = 0.01 before an epiphanic 16th iteration and r = 0.92 afterward. Useful mutants were chosen early (overall r = 0.80). Code and data are freely available (http://www.igb.uci.edu/research/research.html, corresponding authors: R.H.L. for computation and R.K.B. for biology).

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Danziger, S., Swamidass, S., Zeng, J., Dearth, L., Lu, Q., Cheng, J., Cheng, J., Hoang, V., Saigo, H., Luo, R., Baldi, P., Brachmann, R., Lathrop, R. Functional census of mutation sequence spaces: The example of p53 cancer rescue mutants IEEE Transactions on Computational Biology and Bioinformatics, 3(2):114-125, April 2006 (article)

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A Direct Method for Building Sparse Kernel Learning Algorithms

Wu, M., Schölkopf, B., BakIr, G.

Journal of Machine Learning Research, 7, pages: 603-624, April 2006 (article)

Abstract
Many Kernel Learning Algorithms(KLA), including Support Vector Machine (SVM), result in a Kernel Machine (KM), such as a kernel classifier, whose key component is a weight vector in a feature space implicitly introduced by a positive definite kernel function. This weight vector is usually obtained by solving a convex optimization problem. Based on this fact we present a direct method to build Sparse Kernel Learning Algorithms (SKLA) by adding one more constraint to the original convex optimization problem, such that the sparseness of the resulting KM is explicitly controlled while at the same time the performance of the resulting KM can be kept as high as possible. A gradient based approach is provided to solve this modified optimization problem. Applying this method to the SVM results in a concrete algorithm for building Sparse Large Margin Classifiers (SLMC). Further analysis of the SLMC algorithm indicates that it essentially finds a discriminating subspace that can be spanned by a small number of vectors, and in this subspace, the different classes of data are linearly well separated. Experimental results over several classification benchmarks demonstrate the effectiveness of our approach.

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Wu, M., Schölkopf, B., BakIr, G. A Direct Method for Building Sparse Kernel Learning Algorithms Journal of Machine Learning Research, 7, pages: 603-624, April 2006 (article)

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Kernel extrapolation

Vishwanathan, SVN., Borgwardt, KM., Guttman, O., Smola, AJ.

Neurocomputing, 69(7-9):721-729, March 2006 (article)

Abstract
We present a framework for efficient extrapolation of reduced rank approximations, graph kernels, and locally linear embeddings (LLE) to unseen data. We also present a principled method to combine many of these kernels and then extrapolate them. Central to our method is a theorem for matrix approximation, and an extension of the representer theorem to handle multiple joint regularization constraints. Experiments in protein classification demonstrate the feasibility of our approach.

Web DOI [BibTex]

Vishwanathan, SVN., Borgwardt, KM., Guttman, O., Smola, AJ. Kernel extrapolation Neurocomputing, 69(7-9):721-729, March 2006 (article)

Web DOI [BibTex]

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Statistical Properties of Kernel Principal Component Analysis

Blanchard, G., Bousquet, O., Zwald, L.

Machine Learning, 66(2-3):259-294, March 2006 (article)

Abstract
We study the properties of the eigenvalues of Gram matrices in a non-asymptotic setting. Using local Rademacher averages, we provide data-dependent and tight bounds for their convergence towards eigenvalues of the corresponding kernel operator. We perform these computations in a functional analytic framework which allows to deal implicitly with reproducing kernel Hilbert spaces of infinite dimension. This can have applications to various kernel algorithms, such as Support Vector Machines (SVM). We focus on Kernel Principal Component Analysis (KPCA) and, using such techniques, we obtain sharp excess risk bounds for the reconstruction error. In these bounds, the dependence on the decay of the spectrum and on the closeness of successive eigenvalues is made explicit.

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Blanchard, G., Bousquet, O., Zwald, L. Statistical Properties of Kernel Principal Component Analysis Machine Learning, 66(2-3):259-294, March 2006 (article)

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Network-based de-noising improves prediction from microarray data

Kato, T., Murata, Y., Miura, K., Asai, K., Horton, P., Tsuda, K., Fujibuchi, W.

BMC Bioinformatics, 7(Suppl. 1):S4-S4, March 2006 (article)

Abstract
Prediction of human cell response to anti-cancer drugs (compounds) from microarray data is a challenging problem, due to the noise properties of microarrays as well as the high variance of living cell responses to drugs. Hence there is a strong need for more practical and robust methods than standard methods for real-value prediction. We devised an extended version of the off-subspace noise-reduction (de-noising) method to incorporate heterogeneous network data such as sequence similarity or protein-protein interactions into a single framework. Using that method, we first de-noise the gene expression data for training and test data and also the drug-response data for training data. Then we predict the unknown responses of each drug from the de-noised input data. For ascertaining whether de-noising improves prediction or not, we carry out 12-fold cross-validation for assessment of the prediction performance. We use the Pearson‘s correlation coefficient between the true and predicted respon se values as the prediction performance. De-noising improves the prediction performance for 65% of drugs. Furthermore, we found that this noise reduction method is robust and effective even when a large amount of artificial noise is added to the input data. We found that our extended off-subspace noise-reduction method combining heterogeneous biological data is successful and quite useful to improve prediction of human cell cancer drug responses from microarray data.

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Kato, T., Murata, Y., Miura, K., Asai, K., Horton, P., Tsuda, K., Fujibuchi, W. Network-based de-noising improves prediction from microarray data BMC Bioinformatics, 7(Suppl. 1):S4-S4, March 2006 (article)

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Data mining problems and solutions for response modeling in CRM

Cho, S., Shin, H., Yu, E., Ha, K., MacLachlan, D.

Entrue Journal of Information Technology, 5(1):55-64, March 2006 (article)

Abstract
We present three data mining problems that are often encountered in building a response model. They are robust modeling, variable selection and data selection. Respective algorithmic solutions are given. They are bagging based ensemble, genetic algorithm based wrapper approach and nearest neighbor-based data selection in that order. A real world data set from Direct Marketing Educational Foundation, or DMEF4, is used to show their effectiveness. Proposed methods were found to solve the problems in a practical way.

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Cho, S., Shin, H., Yu, E., Ha, K., MacLachlan, D. Data mining problems and solutions for response modeling in CRM Entrue Journal of Information Technology, 5(1):55-64, March 2006 (article)

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Model-based Design Analysis and Yield Optimization

Pfingsten, T., Herrmann, D., Rasmussen, C.

IEEE Transactions on Semiconductor Manufacturing, 19(4):475-486, February 2006 (article)

Abstract
Fluctuations are inherent to any fabrication process. Integrated circuits and micro-electro-mechanical systems are particularly affected by these variations, and due to high quality requirements the effect on the devices’ performance has to be understood quantitatively. In recent years it has become possible to model the performance of such complex systems on the basis of design specifications, and model-based Sensitivity Analysis has made its way into industrial engineering. We show how an efficient Bayesian approach, using a Gaussian process prior, can replace the commonly used brute-force Monte Carlo scheme, making it possible to apply the analysis to computationally costly models. We introduce a number of global, statistically justified sensitivity measures for design analysis and optimization. Two models of integrated systems serve us as case studies to introduce the analysis and to assess its convergence properties. We show that the Bayesian Monte Carlo scheme can save costly simulation runs and can ensure a reliable accuracy of the analysis.

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Pfingsten, T., Herrmann, D., Rasmussen, C. Model-based Design Analysis and Yield Optimization IEEE Transactions on Semiconductor Manufacturing, 19(4):475-486, February 2006 (article)

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Prenatal development of ocular dominance and orientation maps in a self-organizing model of V1

Jegelka, S., Bednar, J., Miikkulainen, R.

Neurocomputing, 69(10-12):1291-1296, February 2006 (article)

Abstract
How orientation and ocular-dominance (OD) maps develop before visual experience begins is controversial. Possible influences include molecular signals and spontaneous activity, but their contributions remain unclear. This paper presents LISSOM simulations suggesting that previsual spontaneous activity alone is sufficient for realistic OR and OD maps to develop. Individual maps develop robustly with various previsual patterns, and are aided by background noise. However, joint OR/OD maps depend crucially on how correlated the patterns are between eyes, even over brief initial periods. Therefore, future biological experiments should account for multiple activity sources, and should measure map interactions rather than maps of single features.

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Jegelka, S., Bednar, J., Miikkulainen, R. Prenatal development of ocular dominance and orientation maps in a self-organizing model of V1 Neurocomputing, 69(10-12):1291-1296, February 2006 (article)

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Weighting of experimental evidence in macromolecular structure determination

Habeck, M., Rieping, W., Nilges, M.

Proceedings of the National Academy of Sciences of the United States of America, 103(6):1756-1761, February 2006 (article)

Abstract
The determination of macromolecular structures requires weighting of experimental evidence relative to prior physical information. Although it can critically affect the quality of the calculated structures, experimental data are routinely weighted on an empirical basis. At present, cross-validation is the most rigorous method to determine the best weight. We describe a general method to adaptively weight experimental data in the course of structure calculation. It is further shown that the necessity to define weights for the data can be completely alleviated. We demonstrate the method on a structure calculation from NMR data and find that the resulting structures are optimal in terms of accuracy and structural quality. Our method is devoid of the bias imposed by an empirical choice of the weight and has some advantages over estimating the weight by cross-validation.

Web DOI [BibTex]

Habeck, M., Rieping, W., Nilges, M. Weighting of experimental evidence in macromolecular structure determination Proceedings of the National Academy of Sciences of the United States of America, 103(6):1756-1761, February 2006 (article)

Web DOI [BibTex]

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Subspace identification through blind source separation

Grosse-Wentrup, M., Buss, M.

IEEE Signal Processing Letters, 13(2):100-103, February 2006 (article)

Abstract
Given a linear and instantaneous mixture model, we prove that for blind source separation (BSS) algorithms based on mutual information, only sources with non-Gaussian distribution are consistently reconstructed independent of initial conditions. This allows the identification of non-Gaussian sources and consequently the identification of signal and noise subspaces through BSS. The results are illustrated with a simple example, and the implications for a variety of signal processing applications, such as denoising and model identification, are discussed.

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Grosse-Wentrup, M., Buss, M. Subspace identification through blind source separation IEEE Signal Processing Letters, 13(2):100-103, February 2006 (article)

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Classification of Faces in Man and Machine

Graf, A., Wichmann, F., Bülthoff, H., Schölkopf, B.

Neural Computation, 18(1):143-165, January 2006 (article)

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Graf, A., Wichmann, F., Bülthoff, H., Schölkopf, B. Classification of Faces in Man and Machine Neural Computation, 18(1):143-165, January 2006 (article)

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Dimension Reduction as a Deflation Method in ICA

Zhang, K., Chan, L.

IEEE Signal Processing Letters, 13(1):45-48, 2006 (article)

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Zhang, K., Chan, L. Dimension Reduction as a Deflation Method in ICA IEEE Signal Processing Letters, 13(1):45-48, 2006 (article)

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Symbol Recognition with Kernel Density Matching

Zhang, W., Wenyin, L., Zhang, K.

IEEE Transactions on Pattern Analysis and Machine Intelligence, 28(12):2020-2024, 2006 (article)

Abstract
We propose a novel approach to similarity assessment for graphic symbols. Symbols are represented as 2D kernel densities and their similarity is measured by the Kullback-Leibler divergence. Symbol orientation is found by gradient-based angle searching or independent component analysis. Experimental results show the outstanding performance of this approach in various situations.

Web [BibTex]

Zhang, W., Wenyin, L., Zhang, K. Symbol Recognition with Kernel Density Matching IEEE Transactions on Pattern Analysis and Machine Intelligence, 28(12):2020-2024, 2006 (article)

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An adaptive method for subband decomposition ICA

Zhang, K., Chan, L.

Neural Computation, 18(1):191-223, 2006 (article)

Abstract
Subband decomposition ICA (SDICA), an extension of ICA, assumes that each source is represented as the sum of some independent subcomponents and dependent subcomponents, which have different frequency bands. In this article, we first investigate the feasibility of separating the SDICA mixture in an adaptive manner. Second, we develop an adaptive method for SDICA, namely band-selective ICA (BS-ICA), which finds the mixing matrix and the estimate of the source independent subcomponents. This method is based on the minimization of the mutual information between outputs. Some practical issues are discussed. For better applicability, a scheme to avoid the high-dimensional score function difference is given. Third, we investigate one form of the overcomplete ICA problems with sources having specific frequency characteristics, which BS-ICA can also be used to solve. Experimental results illustrate the success of the proposed method for solving both SDICA and the over-complete ICA problems.

Web DOI [BibTex]

Zhang, K., Chan, L. An adaptive method for subband decomposition ICA Neural Computation, 18(1):191-223, 2006 (article)

Web DOI [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)

PDF [BibTex]

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]