Publications | Max Planck Institute for Intelligent Systems

157 results (View BibTeX file of all listed publications)

2007

HPLC analysis and pharmacokinetic study of quercitrin and isoquercitrin in rat plasma after administration of Hypericum japonicum thunb. extract.

Li, J., Wang, W., Zhang, L., Chen, H., Bi, S.

Biomedical Chromatography, 22(4):374-378, December 2007 (article)

Abstract

A simple HPLC method was developed for determination of quercitrin and isoquercitrin in rat plasma. Reversed-phase HPLC was employed for the quantitative analysis using kaempferol-3-O--d-glucopyranoside-7-O--l-rhamnoside as an internal standard. Following extraction from the plasma samples with ethyl acetate-isopropanol (95:5, v/v), these two compounds were successfully separated on a Luna C18 column (250 × 4.6 mm, 5 µm) with isocratic elution of acetonitrile-0.5% aqueous acetic acid (17:83, v/v) as the mobile phase. The flow-rate was set at 1 mL/min and the eluent was detected at 350 nm for both quercitrin and isoquercitrin. The method was linear over the studied ranges of 50-6000 and 50-5000 ng/mL for quercitrin and isoquercitrin, respectively. The intra- and inter-day precisions of the analysis were better than 13.1 and 13.2%, respectively. The lower limits of quantitation for quercitrin and isoquercitrin in plasma were both of 50 ng/mL. The mean extraction recoveries were 73 and 61% for quercitrin and i soquercitrin, respectively. The validated method was successfully applied to pharmacokinetic studies of the two analytes in rat plasma after the oral administration of Hypericum japonicum thunb. ethanol extract.

Web DOI [BibTex]

2007

ei Li, J., Wang, W., Zhang, L., Chen, H., Bi, S. HPLC analysis and pharmacokinetic study of quercitrin and isoquercitrin in rat plasma after administration of Hypericum japonicum thunb. extract. Biomedical Chromatography, 22(4):374-378, December 2007 (article)

Web DOI [BibTex]

Graph sharpening plus graph integration: a synergy that improves protein functional classification

Shin, HH., Lisewski, AM., Lichtarge, O.

Bioinformatics, 23(23):3217-3224, December 2007 (article)

Web DOI [BibTex]

ei Shin, HH., Lisewski, AM., Lichtarge, O. Graph sharpening plus graph integration: a synergy that improves protein functional classification Bioinformatics, 23(23):3217-3224, December 2007 (article)

Web DOI [BibTex]

A Tutorial on Spectral Clustering

von Luxburg, U.

Statistics and Computing, 17(4):395-416, December 2007 (article)

Abstract

In recent years, spectral clustering has become one of the most popular modern clustering algorithms. It is simple to implement, can be solved efficiently by standard linear algebra software, and very often outperforms traditional clustering algorithms such as the k-means algorithm. On the first glance spectral clustering appears slightly mysterious, and it is not obvious to see why it works at all and what it really does. The goal of this tutorial is to give some intuition on those questions. We describe different graph Laplacians and their basic properties, present the most common spectral clustering algorithms, and derive those algorithms from scratch by several different approaches. Advantages and disadvantages of the different spectral clustering algorithms are discussed.

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ei von Luxburg, U. A Tutorial on Spectral Clustering Statistics and Computing, 17(4):395-416, December 2007 (article)

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A Tutorial on Kernel Methods for Categorization

Jäkel, F., Schölkopf, B., Wichmann, F.

Journal of Mathematical Psychology, 51(6):343-358, December 2007 (article)

Abstract

The abilities to learn and to categorize are fundamental for cognitive systems, be it animals or machines, and therefore have attracted attention from engineers and psychologists alike. Modern machine learning methods and psychological models of categorization are remarkably similar, partly because these two fields share a common history in artificial neural networks and reinforcement learning. However, machine learning is now an independent and mature field that has moved beyond psychologically or neurally inspired algorithms towards providing foundations for a theory of learning that is rooted in statistics and functional analysis. Much of this research is potentially interesting for psychological theories of learning and categorization but also hardly accessible for psychologists. Here, we provide a tutorial introduction to a popular class of machine learning tools, called kernel methods. These methods are closely related to perceptrons, radial-basis-function neural networks and exemplar theories of catego rization. Recent theoretical advances in machine learning are closely tied to the idea that the similarity of patterns can be encapsulated in a positive definite kernel. Such a positive definite kernel can define a reproducing kernel Hilbert space which allows one to use powerful tools from functional analysis for the analysis of learning algorithms. We give basic explanations of some key conceptsthe so-called kernel trick, the representer theorem and regularizationwhich may open up the possibility that insights from machine learning can feed back into psychology.

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ei Jäkel, F., Schölkopf, B., Wichmann, F. A Tutorial on Kernel Methods for Categorization Journal of Mathematical Psychology, 51(6):343-358, December 2007 (article)

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A semigroup approach to queueing systems

Haji, A., Radl, A.

Semigroup Forum, 75(3):610-624, December 2007 (article)

Abstract

We prove asymptotic stability of the solutions of equations describing a simple queueing system consisting of two machines separated by a finite storage buffer. Following an approach by G. Gupur, we apply the theory of C0-semigroups and spectral theory of positive operators.

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ei Haji, A., Radl, A. A semigroup approach to queueing systems Semigroup Forum, 75(3):610-624, December 2007 (article)

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Point-spread functions for backscattered imaging in the scanning electron microscope

Hennig, P., Denk, W.

Journal of Applied Physics , 102(12):1-8, December 2007 (article)

Abstract

One knows the imaging system's properties are central to the correct interpretation of any image. In a scanning electron microscope regions of different composition generally interact in a highly nonlinear way during signal generation. Using Monte Carlo simulations we found that in resin-embedded, heavy metal-stained biological specimens staining is sufficiently dilute to allow an approximately linear treatment. We then mapped point-spread functions for backscattered-electron contrast, for primary energies of 3 and 7 keV and for different detector specifications. The point-spread functions are surprisingly well confined (both laterally and in depth) compared even to the distribution of only those scattered electrons that leave the sample again.

ei pn

Web DOI [BibTex]

ei pn Hennig, P., Denk, W. Point-spread functions for backscattered imaging in the scanning electron microscope Journal of Applied Physics , 102(12):1-8, December 2007 (article)

Web DOI [BibTex]

Accurate Splice site Prediction Using Support Vector Machines

Sonnenburg, S., Schweikert, G., Philips, P., Behr, J., Rätsch, G.

BMC Bioinformatics, 8(Supplement 10):1-16, December 2007 (article)

Abstract

Background: For splice site recognition, one has to solve two classification problems: discriminating true from decoy splice sites for both acceptor and donor sites. Gene finding systems typically rely on Markov Chains to solve these tasks. Results: In this work we consider Support Vector Machines for splice site recognition. We employ the so-called weighted degree kernel which turns out well suited for this task, as we will illustrate in several experiments where we compare its prediction accuracy with that of recently proposed systems. We apply our method to the genome-wide recognition of splice sites in Caenorhabditis elegans, Drosophila melanogaster, Arabidopsis thaliana, Danio rerio, and Homo sapiens. Our performance estimates indicate that splice sites can be recognized very accurately in these genomes and that our method outperforms many other methods including Markov Chains, GeneSplicer and SpliceMachine. We provide genome-wide predictions of splice sites and a stand-alone prediction tool ready to be used for incorporation in a gene finder. Availability: Data, splits, additional information on the model selection, the whole genome predictions, as well as the stand-alone prediction tool are available for download at http:// www.fml.mpg.de/raetsch/projects/splice.

PDF DOI [BibTex]

ei Sonnenburg, S., Schweikert, G., Philips, P., Behr, J., Rätsch, G. Accurate Splice site Prediction Using Support Vector Machines BMC Bioinformatics, 8(Supplement 10):1-16, December 2007 (article)

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Experimental design for efficient identification of gene regulatory networks using sparse Bayesian models

Steinke, F., Seeger, M., Tsuda, K.

BMC Systems Biology, 1(51):1-15, November 2007 (article)

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ei Steinke, F., Seeger, M., Tsuda, K. Experimental design for efficient identification of gene regulatory networks using sparse Bayesian models BMC Systems Biology, 1(51):1-15, November 2007 (article)

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A unifying framework for robot control with redundant DOFs

Peters, J., Mistry, M., Udwadia, F., Nakanishi, J., Schaal, S.

Autonomous Robots, 24(1):1-12, October 2007 (article)

Abstract

Recently, Udwadia (Proc. R. Soc. Lond. A 2003:17831800, 2003) suggested to derive tracking controllers for mechanical systems with redundant degrees-of-freedom (DOFs) using a generalization of Gauss principle of least constraint. This method allows reformulating control problems as a special class of optimal controllers. In this paper, we take this line of reasoning one step further and demonstrate that several well-known and also novel nonlinear robot control laws can be derived from this generic methodology. We show experimental verifications on a Sarcos Master Arm robot for some of the derived controllers. The suggested approach offers a promising unification and simplification of nonlinear control law design for robots obeying rigid body dynamics equations, both with or without external constraints, with over-actuation or underactuation, as well as open-chain and closed-chain kinematics.

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ei Peters, J., Mistry, M., Udwadia, F., Nakanishi, J., Schaal, S. A unifying framework for robot control with redundant DOFs Autonomous Robots, 24(1):1-12, October 2007 (article)

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The Need for Open Source Software in Machine Learning

Sonnenburg, S., Braun, M., Ong, C., Bengio, S., Bottou, L., Holmes, G., LeCun, Y., Müller, K., Pereira, F., Rasmussen, C., Rätsch, G., Schölkopf, B., Smola, A., Vincent, P., Weston, J., Williamson, R.

Journal of Machine Learning Research, 8, pages: 2443-2466, October 2007 (article)

Abstract

Open source tools have recently reached a level of maturity which makes them suitable for building large-scale real-world systems. At the same time, the field of machine learning has developed a large body of powerful learning algorithms for diverse applications. However, the true potential of these methods is not realized, since existing implementations are not openly shared, resulting in software with low usability, and weak interoperability. We argue that this situation can be significantly improved by increasing incentives for researchers to publish their software under an open source model. Additionally, we outline the problems authors are faced with when trying to publish algorithmic implementations of machine learning methods. We believe that a resource of peer reviewed software accompanied by short articles would be highly valuable to both the machine learning and the general scientific community.

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ei Sonnenburg, S., Braun, M., Ong, C., Bengio, S., Bottou, L., Holmes, G., LeCun, Y., Müller, K., Pereira, F., Rasmussen, C., Rätsch, G., Schölkopf, B., Smola, A., Vincent, P., Weston, J., Williamson, R. The Need for Open Source Software in Machine Learning Journal of Machine Learning Research, 8, pages: 2443-2466, October 2007 (article)

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On the Representer Theorem and Equivalent Degrees of Freedom of SVR

Dinuzzo, F., Neve, M., De Nicolao, G., Gianazza, U.

Journal of Machine Learning Research, 8, pages: 2467-2495, October 2007 (article)

Abstract

Support Vector Regression (SVR) for discrete data is considered. An alternative formulation of the representer theorem is derived. This result is based on the newly introduced notion of pseudoresidual and the use of subdifferential calculus. The representer theorem is exploited to analyze the sensitivity properties of ε-insensitive SVR and introduce the notion of approximate degrees of freedom. The degrees of freedom are shown to play a key role in the evaluation of the optimism, that is the difference between the expected in-sample error and the expected empirical risk. In this way, it is possible to define a Cp-like statistic that can be used for tuning the parameters of SVR. The proposed tuning procedure is tested on a simulated benchmark problem and on a real world problem (Boston Housing data set).

Web [BibTex]

ei Dinuzzo, F., Neve, M., De Nicolao, G., Gianazza, U. On the Representer Theorem and Equivalent Degrees of Freedom of SVR Journal of Machine Learning Research, 8, pages: 2467-2495, October 2007 (article)

Web [BibTex]

Some observations on the masking effects of Mach bands

Curnow, T., Cowie, DA., Henning, GB., Hill, NJ.

Journal of the Optical Society of America A, 24(10):3233-3241, October 2007 (article)

Abstract

There are 8 cycle / deg ripples or oscillations in performance as a function of location near Mach bands in experiments measuring Mach bands masking effects on random polarity signal bars. The oscillations with increments are 180 degrees out of phase with those for decrements. The oscillations, much larger than the measurement error, appear to relate to the weighting function of the spatial-frequency-tuned channel detecting the broad- band signals. The ripples disappear with step maskers and become much smaller at durations below 25 ms, implying either that the site of masking has changed or that the weighting function and hence spatial-frequency tuning is slow to develop.

PDF Web DOI [BibTex]

ei Curnow, T., Cowie, DA., Henning, GB., Hill, NJ. Some observations on the masking effects of Mach bands Journal of the Optical Society of America A, 24(10):3233-3241, October 2007 (article)

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Mining complex genotypic features for predicting HIV-1 drug resistance

Saigo, H., Uno, T., Tsuda, K.

Bioinformatics, 23(18):2455-2462, September 2007 (article)

Abstract

Human immunodeficiency virus type 1 (HIV-1) evolves in human body, and its exposure to a drug often causes mutations that enhance the resistance against the drug. To design an effective pharmacotherapy for an individual patient, it is important to accurately predict the drug resistance based on genotype data. Notably, the resistance is not just the simple sum of the effects of all mutations. Structural biological studies suggest that the association of mutations is crucial: Even if mutations A or B alone do not affect the resistance, a significant change might happen when the two mutations occur together. Linear regression methods cannot take the associations into account, while decision tree methods can reveal only limited associations. Kernel methods and neural networks implicitly use all possible associations for prediction, but cannot select salient associations explicitly. Our method, itemset boosting, performs linear regression in the complete space of power sets of mutations. It implements a forward feature selection procedure where, in each iteration, one mutation combination is found by an efficient branch-and-bound search. This method uses all possible combinations, and salient associations are explicitly shown. In experiments, our method worked particularly well for predicting the resistance of nucleotide reverse transcriptase inhibitors (NRTIs). Furthermore, it successfully recovered many mutation associations known in biological literature.

Web DOI [BibTex]

ei Saigo, H., Uno, T., Tsuda, K. Mining complex genotypic features for predicting HIV-1 drug resistance Bioinformatics, 23(18):2455-2462, September 2007 (article)

Web DOI [BibTex]

Real-Time Fetal Heart Monitoring in Biomagnetic Measurements Using Adaptive Real-Time ICA

Waldert, S., Bensch, M., Bogdan, M., Rosenstiel, W., Schölkopf, B., Lowery, C., Eswaran, H., Preissl, H.

IEEE Transactions on Biomedical Engineering, 54(10):1867-1874, September 2007 (article)

Abstract

Electrophysiological signals of the developing fetal brain and heart can be investigated by fetal magnetoencephalography (fMEG). During such investigations, the fetal heart activity and that of the mother should be monitored continuously to provide an important indication of current well-being. Due to physical constraints of an fMEG system, it is not possible to use clinically established heart monitors for this purpose. Considering this constraint, we developed a real-time heart monitoring system for biomagnetic measurements and showed its reliability and applicability in research and for clinical examinations. The developed system consists of real-time access to fMEG data, an algorithm based on Independent Component Analysis (ICA), and a graphical user interface (GUI). The algorithm extracts the current fetal and maternal heart signal from a noisy and artifact-contaminated data stream in real-time and is able to adapt automatically to continuously varying environmental parameters. This algorithm has been na med Adaptive Real-time ICA (ARICA) and is applicable to real-time artifact removal as well as to related blind signal separation problems.

PDF Web DOI [BibTex]

ei Waldert, S., Bensch, M., Bogdan, M., Rosenstiel, W., Schölkopf, B., Lowery, C., Eswaran, H., Preissl, H. Real-Time Fetal Heart Monitoring in Biomagnetic Measurements Using Adaptive Real-Time ICA IEEE Transactions on Biomedical Engineering, 54(10):1867-1874, September 2007 (article)

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Book Review: Computational Intelligence: Principles, Techniques and Applications by Amit Konar

Peters, J.

The Computer Journal, 50(6):758-758, September 2007 (article)

Web DOI [BibTex]

ei Peters, J. Book Review: Computational Intelligence: Principles, Techniques and Applications by Amit Konar The Computer Journal, 50(6):758-758, September 2007 (article)

Web DOI [BibTex]

Overcomplete Independent Component Analysis via Linearly Constrained Minimum Variance Spatial Filtering

Grosse-Wentrup, M., Buss, M.

Journal of VLSI Signal Processing, 48(1-2):161-171, August 2007 (article)

Abstract

Independent Component Analysis (ICA) designed for complete bases is used in a variety of applications with great success, despite the often questionable assumption of having N sensors and M sources with N≥M. In this article, we assume a source model with more sources than sensors (M>N), only L<N of which are assumed to have a non-Gaussian distribution. We argue that this is a realistic source model for a variety of applications, and prove that for ICA algorithms designed for complete bases (i.e., algorithms assuming N=M) based on mutual information the mixture coefficients of the L non-Gaussian sources can be reconstructed in spite of the overcomplete mixture model. Further, it is shown that the reconstructed temporal activity of non-Gaussian sources is arbitrarily mixed with Gaussian sources. To obtain estimates of the temporal activity of the non-Gaussian sources, we use the correctly reconstructed mixture coefficients in conjunction with linearly constrained minimum variance spatial filtering. This results in estimates of the non-Gaussian sources minimizing the variance of the interference of other sources. The approach is applied to the denoising of Event Related Fields recorded by MEG, and it is shown that it performs superiorly to ordinary ICA.

PDF PDF DOI [BibTex]

ei Grosse-Wentrup, M., Buss, M. Overcomplete Independent Component Analysis via Linearly Constrained Minimum Variance Spatial Filtering Journal of VLSI Signal Processing, 48(1-2):161-171, August 2007 (article)

PDF PDF DOI [BibTex]

Feature Selection for Trouble Shooting in Complex Assembly Lines

Pfingsten, T., Herrmann, D., Schnitzler, T., Feustel, A., Schölkopf, B.

IEEE Transactions on Automation Science and Engineering, 4(3):465-469, July 2007 (article)

Abstract

The final properties of sophisticated products can be affected by many unapparent dependencies within the manufacturing process, and the products integrity can often only be checked in a final measurement. Troubleshooting can therefore be very tedious if not impossible in large assembly lines. In this paper we show that Feature Selection is an efficient tool for serial-grouped lines to reveal causes for irregularities in product attributes. We compare the performance of several methods for Feature Selection on real-world problems in mass-production of semiconductor devices. Note to Practitioners We present a data based procedure to localize flaws in large production lines: using the results of final quality inspections and information about which machines processed which batches, we are able to identify machines which cause low yield.

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ei Pfingsten, T., Herrmann, D., Schnitzler, T., Feustel, A., Schölkopf, B. Feature Selection for Trouble Shooting in Complex Assembly Lines IEEE Transactions on Automation Science and Engineering, 4(3):465-469, July 2007 (article)

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Gene selection via the BAHSIC family of algorithms

Song, L., Bedo, J., Borgwardt, K., Gretton, A., Smola, A.

Bioinformatics, 23(13: ISMB/ECCB 2007 Conference Proceedings):i490-i498, July 2007 (article)

Abstract

Motivation: Identifying significant genes among thousands of sequences on a microarray is a central challenge for cancer research in bioinformatics. The ultimate goal is to detect the genes that are involved in disease outbreak and progression. A multitude of methods have been proposed for this task of feature selection, yet the selected gene lists differ greatly between different methods. To accomplish biologically meaningful gene selection from microarray data, we have to understand the theoretical connections and the differences between these methods. In this article, we define a kernel-based framework for feature selection based on the Hilbert–Schmidt independence criterion and backward elimination, called BAHSIC. We show that several well-known feature selectors are instances of BAHSIC, thereby clarifying their relationship. Furthermore, by choosing a different kernel, BAHSIC allows us to easily define novel feature selection algorithms. As a further advantage, feature selection via BAHSIC works directly on multiclass problems. Results: In a broad experimental evaluation, the members of the BAHSIC family reach high levels of accuracy and robustness when compared to other feature selection techniques. Experiments show that features selected with a linear kernel provide the best classification performance in general, but if strong non-linearities are present in the data then non-linear kernels can be more suitable.

Web DOI [BibTex]

ei Song, L., Bedo, J., Borgwardt, K., Gretton, A., Smola, A. Gene selection via the BAHSIC family of algorithms Bioinformatics, 23(13: ISMB/ECCB 2007 Conference Proceedings):i490-i498, July 2007 (article)

Web DOI [BibTex]

Phenotyping of Chondrocytes In Vivo and In Vitro Using cDNA Array Technology

Zien, A., Gebhard, P., Fundel, K., Aigner, T.

Clinical Orthopaedics and Related Research, 460, pages: 226-233, July 2007 (article)

Abstract

The cDNA array technology is a powerful tool to analyze a high number of genes in parallel. We investigated whether large-scale gene expression analysis allows clustering and identification of cellular phenotypes of chondrocytes in different in vivo and in vitro conditions. In 100% of cases, clustering analysis distinguished between in vivo and in vitro samples, suggesting fundamental differences in chondrocytes in situ and in vitro regardless of the culture conditions or disease status. It also allowed us to differentiate between healthy and osteoarthritic cartilage. The clustering also revealed the relative importance of the investigated culturing conditions (stimulation agent, stimulation time, bead/monolayer). We augmented the cluster analysis with a statistical search for genes showing differential expression. The identified genes provided hints to the molecular basis of the differences between the sample classes. Our approach shows the power of modern bioinformatic algorithms for understanding and class ifying chondrocytic phenotypes in vivo and in vitro. Although it does not generate new experimental data per se, it provides valuable information regarding the biology of chondrocytes and may provide tools for diagnosing and staging the osteoarthritic disease process.

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