Publications | Max Planck Institute for Intelligent Systems

Babbar, R., Schölkopf, B.

Data scarcity, robustness and extreme multi-label classification

Machine Learning, 108(8):1329-1351, September 2019, Special Issue of the ECML PKDD 2019 Journal Track (article)

ei Babbar, R., Schölkopf, B. Data scarcity, robustness and extreme multi-label classification Machine Learning, 108(8):1329-1351, September 2019, Special Issue of the ECML PKDD 2019 Journal Track (article)

A 32-channel multi-coil setup optimized for human brain shimming at 9.4T

Aghaeifar, A., Zhou, J., Heule, R., Tabibian, B., Schölkopf, B., Jia, F., Zaitsev, M., Scheffler, K.

Magnetic Resonance in Medicine, 2019, (Early View) (article)

ei Aghaeifar, A., Zhou, J., Heule, R., Tabibian, B., Schölkopf, B., Jia, F., Zaitsev, M., Scheffler, K. A 32-channel multi-coil setup optimized for human brain shimming at 9.4T Magnetic Resonance in Medicine, 2019, (Early View) (article)

DOI Project Page Project Page [BibTex]

Multidimensional Contrast Limited Adaptive Histogram Equalization

Stimper, V., Bauer, S., Ernstorfer, R., Schölkopf, B., Xian, R. P.

IEEE Access, 7, pages: 165437-165447, 2019 (article)

arXiv link (url) DOI [BibTex]

ei Stimper, V., Bauer, S., Ernstorfer, R., Schölkopf, B., Xian, R. P. Multidimensional Contrast Limited Adaptive Histogram Equalization IEEE Access, 7, pages: 165437-165447, 2019 (article)

arXiv link (url) DOI [BibTex]

Enhancing Human Learning via Spaced Repetition Optimization

Tabibian, B., Upadhyay, U., De, A., Zarezade, A., Schölkopf, B., Gomez Rodriguez, M.

Proceedings of the National Academy of Sciences, 2019, PNAS published ahead of print January 22, 2019 (article)

ei Tabibian, B., Upadhyay, U., De, A., Zarezade, A., Schölkopf, B., Gomez Rodriguez, M. Enhancing Human Learning via Spaced Repetition Optimization Proceedings of the National Academy of Sciences, 2019, PNAS published ahead of print January 22, 2019 (article)

DOI Project Page Project Page [BibTex]

Learning to Control Highly Accelerated Ballistic Movements on Muscular Robots

Büchler, D., Calandra, R., Peters, J.

2019 (article) Submitted

Abstract

High-speed and high-acceleration movements are inherently hard to control. Applying learning to the control of such motions on anthropomorphic robot arms can improve the accuracy of the control but might damage the system. The inherent exploration of learning approaches can lead to instabilities and the robot reaching joint limits at high speeds. Having hardware that enables safe exploration of high-speed and high-acceleration movements is therefore desirable. To address this issue, we propose to use robots actuated by Pneumatic Artificial Muscles (PAMs). In this paper, we present a four degrees of freedom (DoFs) robot arm that reaches high joint angle accelerations of up to 28000 °/s^2 while avoiding dangerous joint limits thanks to the antagonistic actuation and limits on the air pressure ranges. With this robot arm, we are able to tune control parameters using Bayesian optimization directly on the hardware without additional safety considerations. The achieved tracking performance on a fast trajectory exceeds previous results on comparable PAM-driven robots. We also show that our system can be controlled well on slow trajectories with PID controllers due to careful construction considerations such as minimal bending of cables, lightweight kinematics and minimal contact between PAMs and PAMs with the links. Finally, we propose a novel technique to control the the co-contraction of antagonistic muscle pairs. Experimental results illustrate that choosing the optimal co-contraction level is vital to reach better tracking performance. Through the use of PAM-driven robots and learning, we do a small step towards the future development of robots capable of more human-like motions.

Arxiv Video [BibTex]

ei Büchler, D., Calandra, R., Peters, J. Learning to Control Highly Accelerated Ballistic Movements on Muscular Robots 2019 (article) Submitted

Arxiv Video [BibTex]

Autonomous Identification and Goal-Directed Invocation of Event-Predictive Behavioral Primitives

Gumbsch, C., Butz, M. V., Martius, G.

IEEE Transactions on Cognitive and Developmental Systems, 2019 (article)

Abstract

Voluntary behavior of humans appears to be composed of small, elementary building blocks or behavioral primitives. While this modular organization seems crucial for the learning of complex motor skills and the flexible adaption of behavior to new circumstances, the problem of learning meaningful, compositional abstractions from sensorimotor experiences remains an open challenge. Here, we introduce a computational learning architecture, termed surprise-based behavioral modularization into event-predictive structures (SUBMODES), that explores behavior and identifies the underlying behavioral units completely from scratch. The SUBMODES architecture bootstraps sensorimotor exploration using a self-organizing neural controller. While exploring the behavioral capabilities of its own body, the system learns modular structures that predict the sensorimotor dynamics and generate the associated behavior. In line with recent theories of event perception, the system uses unexpected prediction error signals, i.e., surprise, to detect transitions between successive behavioral primitives. We show that, when applied to two robotic systems with completely different body kinematics, the system manages to learn a variety of complex behavioral primitives. Moreover, after initial self-exploration the system can use its learned predictive models progressively more effectively for invoking model predictive planning and goal-directed control in different tasks and environments.

arXiv PDF video link (url) DOI Project Page [BibTex]

al Gumbsch, C., Butz, M. V., Martius, G. Autonomous Identification and Goal-Directed Invocation of Event-Predictive Behavioral Primitives IEEE Transactions on Cognitive and Developmental Systems, 2019 (article)

arXiv PDF video link (url) DOI Project Page [BibTex]

Inferring causation from time series with perspectives in Earth system sciences

Runge, J., Bathiany, S., Bollt, E., Camps-Valls, G., Coumou, D., Deyle, E., Glymour, C., Kretschmer, M., Mahecha, M., van Nes, E., Peters, J., Quax, R., Reichstein, M., Scheffer, M. S. B., Spirtes, P., Sugihara, G., Sun, J., Zhang, K., Zscheischler, J.

Nature Communications, 2019 (article) In revision

ei Runge, J., Bathiany, S., Bollt, E., Camps-Valls, G., Coumou, D., Deyle, E., Glymour, C., Kretschmer, M., Mahecha, M., van Nes, E., Peters, J., Quax, R., Reichstein, M., Scheffer, M. S. B., Spirtes, P., Sugihara, G., Sun, J., Zhang, K., Zscheischler, J. Inferring causation from time series with perspectives in Earth system sciences Nature Communications, 2019 (article) In revision

Machine Learning for Haptics: Inferring Multi-Contact Stimulation From Sparse Sensor Configuration

Sun, H., Martius, G.

Frontiers in Neurorobotics, 13, pages: 51, 2019 (article)

Abstract

Robust haptic sensation systems are essential for obtaining dexterous robots. Currently, we have solutions for small surface areas such as fingers, but affordable and robust techniques for covering large areas of an arbitrary 3D surface are still missing. Here, we introduce a general machine learning framework to infer multi-contact haptic forces on a 3D robot’s limb surface from internal deformation measured by only a few physical sensors. The general idea of this framework is to predict first the whole surface deformation pattern from the sparsely placed sensors and then to infer number, locations and force magnitudes of unknown contact points. We show how this can be done even if training data can only be obtained for single-contact points using transfer learning at the example of a modified limb of the Poppy robot. With only 10 strain-gauge sensors we obtain a high accuracy also for multiple-contact points. The method can be applied to arbitrarily shaped surfaces and physical sensor types, as long as training data can be obtained.

al Sun, H., Martius, G. Machine Learning for Haptics: Inferring Multi-Contact Stimulation From Sparse Sensor Configuration Frontiers in Neurorobotics, 13, pages: 51, 2019 (article)

Reliable Real-Time Ball Tracking for Robot Table Tennis

Gomez-Gonzalez, S., Nemmour, Y., Schölkopf, B., Peters, J.

Robotics, 8(4):90, 2019 (article)

ei Gomez-Gonzalez, S., Nemmour, Y., Schölkopf, B., Peters, J. Reliable Real-Time Ball Tracking for Robot Table Tennis Robotics, 8(4):90, 2019 (article)

arXiv link (url) DOI Project Page [BibTex]

Optimizing the Execution of Dynamic Robot Movements With Learning Control

Koc, O., Maeda, G., Peters, J.

IEEE Transactions on Robotics, pages: 1-16, 2019 (article)

ei Koc, O., Maeda, G., Peters, J. Optimizing the Execution of Dynamic Robot Movements With Learning Control IEEE Transactions on Robotics, pages: 1-16, 2019 (article)

arXiv link (url) DOI Project Page [BibTex]

Learning to Serve: An Experimental Study for a New Learning From Demonstrations Framework

Koc, O., Peters, J.

IEEE Robotics and Automation Letters, 4(2):1784-1791, 2019 (article)

link (url) DOI Project Page [BibTex]

ei Koc, O., Peters, J. Learning to Serve: An Experimental Study for a New Learning From Demonstrations Framework IEEE Robotics and Automation Letters, 4(2):1784-1791, 2019 (article)

link (url) DOI Project Page [BibTex]

Eigendecompositions of Transfer Operators in Reproducing Kernel Hilbert Spaces

Klus, S., Schuster, I., Muandet, K.

Journal of Nonlinear Science, 2019, First Online: 21 August 2019 (article)

ei Klus, S., Schuster, I., Muandet, K. Eigendecompositions of Transfer Operators in Reproducing Kernel Hilbert Spaces Journal of Nonlinear Science, 2019, First Online: 21 August 2019 (article)

2007

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.

2007

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

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

A Tutorial on Kernel Methods for Categorization

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.

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)

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.

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)

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)

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)

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.

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)

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.

PDF Web [BibTex]

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)

PDF 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.

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)

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.

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)

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.

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)

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

Peters, J.

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

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

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.

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)

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.

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)

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.

ei Zien, A., Gebhard, P., Fundel, K., Aigner, T. Phenotyping of Chondrocytes In Vivo and In Vitro Using cDNA Array Technology Clinical Orthopaedics and Related Research, 460, pages: 226-233, July 2007 (article)

Common Sequence Polymorphisms Shaping Genetic Diversity in Arabidopsis thaliana

Clark, R., Schweikert, G., Toomajian, C., Ossowski, S., Zeller, G., Shinn, P., Warthmann, N., Hu, T., Fu, G., Hinds, D., Chen, H., Frazer, K., Huson, D., Schölkopf, B., Nordborg, M., Rätsch, G., Ecker, J., Weigel, D.

Science, 317(5836):338-342, July 2007 (article)

Abstract

The genomes of individuals from the same species vary in sequence as a result of different evolutionary processes. To examine the patterns of, and the forces shaping, sequence variation in Arabidopsis thaliana, we performed high-density array resequencing of 20 diverse strains (accessions). More than 1 million nonredundant single-nucleotide polymorphisms (SNPs) were identified at moderate false discovery rates (FDRs), and ~4% of the genome was identified as being highly dissimilar or deleted relative to the reference genome sequence. Patterns of polymorphism are highly nonrandom among gene families, with genes mediating interaction with the biotic environment having exceptional polymorphism levels. At the chromosomal scale, regional variation in polymorphism was readily apparent. A scan for recent selective sweeps revealed several candidate regions, including a notable example in which almost all variation was removed in a 500-kilobase window. Analyzing the polymorphisms we describe in larger sets of accessions will enable a detailed understanding of forces shaping population-wide sequence variation in A. thaliana.

ei Clark, R., Schweikert, G., Toomajian, C., Ossowski, S., Zeller, G., Shinn, P., Warthmann, N., Hu, T., Fu, G., Hinds, D., Chen, H., Frazer, K., Huson, D., Schölkopf, B., Nordborg, M., Rätsch, G., Ecker, J., Weigel, D. Common Sequence Polymorphisms Shaping Genetic Diversity in Arabidopsis thaliana Science, 317(5836):338-342, July 2007 (article)

Graph Laplacians and their Convergence on Random Neighborhood Graphs

Hein, M., Audibert, J., von Luxburg, U.

Journal of Machine Learning Research, 8, pages: 1325-1370, June 2007 (article)

Abstract

Given a sample from a probability measure with support on a submanifold in Euclidean space one can construct a neighborhood graph which can be seen as an approximation of the submanifold. The graph Laplacian of such a graph is used in several machine learning methods like semi-supervised learning, dimensionality reduction and clustering. In this paper we determine the pointwise limit of three different graph Laplacians used in the literature as the sample size increases and the neighborhood size approaches zero. We show that for a uniform measure on the submanifold all graph Laplacians have the same limit up to constants. However in the case of a non-uniform measure on the submanifold only the so called random walk graph Laplacian converges to the weighted Laplace-Beltrami operator.

PDF PDF [BibTex]

ei Hein, M., Audibert, J., von Luxburg, U. Graph Laplacians and their Convergence on Random Neighborhood Graphs Journal of Machine Learning Research, 8, pages: 1325-1370, June 2007 (article)

PDF PDF [BibTex]

Bayesian Reconstruction of the Density of States

Habeck, M.

Physical Review Letters, 98(20, 200601):1-4, May 2007 (article)

Abstract

A Bayesian framework is developed to reconstruct the density of states from multiple canonical simulations. The framework encompasses the histogram reweighting method of Ferrenberg and Swendsen. The new approach applies to nonparametric as well as parametric models and does not require simulation data to be discretized. It offers a means to assess the precision of the reconstructed density of states and of derived thermodynamic quantities.

ei Habeck, M. Bayesian Reconstruction of the Density of States Physical Review Letters, 98(20, 200601):1-4, May 2007 (article)

PALMA: mRNA to Genome Alignments using Large Margin Algorithms

Schulze, U., Hepp, B., Ong, C., Rätsch, G.

Bioinformatics, 23(15):1892-1900, May 2007 (article)

Abstract

Motivation: Despite many years of research on how to properly align sequences in the presence of sequencing errors, alternative splicing and micro-exons, the correct alignment of mRNA sequences to genomic DNA is still a challenging task. Results: We present a novel approach based on large margin learning that combines accurate plice site predictions with common sequence alignment techniques. By solving a convex optimization problem, our algorithm called PALMA tunes the parameters of the model such that true alignments score higher than other alignments. We study the accuracy of alignments of mRNAs containing artificially generated micro-exons to genomic DNA. In a carefully designed experiment, we show that our algorithm accurately identifies the intron boundaries as well as boundaries of the optimal local alignment. It outperforms all other methods: for 5702 artificially shortened EST sequences from C. elegans and human it correctly identifies the intron boundaries in all except two cases. The best other method is a recently proposed method called exalin which misaligns 37 of the sequences. Our method also demonstrates robustness to mutations, insertions and deletions, retaining accuracy even at high noise levels. Availability: Datasets for training, evaluation and testing, additional results and a stand-alone alignment tool implemented in C++ and python are available at http://www.fml.mpg.de/raetsch/projects/palma.

ei Schulze, U., Hepp, B., Ong, C., Rätsch, G. PALMA: mRNA to Genome Alignments using Large Margin Algorithms Bioinformatics, 23(15):1892-1900, May 2007 (article)

Texture and object motion in slant discrimination: Failure of reliability-based weighting of cues may be evidence for strong fusion

Rosas, P., Wichmann, F., Wagemans, J.

Journal of Vision, 7(6:3):1-21, April 2007 (article)

ei Rosas, P., Wichmann, F., Wagemans, J. Texture and object motion in slant discrimination: Failure of reliability-based weighting of cues may be evidence for strong fusion Journal of Vision, 7(6:3):1-21, April 2007 (article)

Training a Support Vector Machine in the Primal

Chapelle, O.

Neural Computation, 19(5):1155-1178, March 2007 (article)

Abstract

Most literature on Support Vector Machines (SVMs) concentrate on the dual optimization problem. In this paper, we would like to point out that the primal problem can also be solved efficiently, both for linear and non-linear SVMs, and that there is no reason for ignoring this possibilty. On the contrary, from the primal point of view new families of algorithms for large scale SVM training can be investigated.

ei Chapelle, O. Training a Support Vector Machine in the Primal Neural Computation, 19(5):1155-1178, March 2007 (article)

Improving the Caenorhabditis elegans Genome Annotation Using Machine Learning

Rätsch, G., Sonnenburg, S., Srinivasan, J., Witte, H., Müller, K., Sommer, R., Schölkopf, B.

PLoS Computational Biology, 3(2, e20):0313-0322, February 2007 (article)

ei Rätsch, G., Sonnenburg, S., Srinivasan, J., Witte, H., Müller, K., Sommer, R., Schölkopf, B. Improving the Caenorhabditis elegans Genome Annotation Using Machine Learning PLoS Computational Biology, 3(2, e20):0313-0322, February 2007 (article)

Quantum broadcasting problem in classical low-power signal processing

Janzing, D., Steudel, B.

Physical Review A, 75(2):11, February 2007 (article)

ei Janzing, D., Steudel, B. Quantum broadcasting problem in classical low-power signal processing Physical Review A, 75(2):11, February 2007 (article)

Statistical Consistency of Kernel Canonical Correlation Analysis

Fukumizu, K., Bach, F., Gretton, A.

Journal of Machine Learning Research, 8, pages: 361-383, February 2007 (article)

Abstract

While kernel canonical correlation analysis (CCA) has been applied in many contexts, the convergence of finite sample estimates of the associated functions to their population counterparts has not yet been established. This paper gives a mathematical proof of the statistical convergence of kernel CCA, providing a theoretical justification for the method. The proof uses covariance operators defined on reproducing kernel Hilbert spaces, and analyzes the convergence of their empirical estimates of finite rank to their population counterparts, which can have infinite rank. The result also gives a sufficient condition for convergence on the regularization coefficient involved in kernel CCA: this should decrease as n^{-1/3}, where n is the number of data.

ei Fukumizu, K., Bach, F., Gretton, A. Statistical Consistency of Kernel Canonical Correlation Analysis Journal of Machine Learning Research, 8, pages: 361-383, February 2007 (article)

Some observations on the pedestal effect

Henning, G., Wichmann, F.

Journal of Vision, 7(1:3):1-15, January 2007 (article)

Abstract

The pedestal or dipper effect is the large improvement in the detectability of a sinusoidal grating observed when it is added to a masking or pedestal grating of the same spatial frequency, orientation, and phase. We measured the pedestal effect in both broadband and notched noiseVnoise from which a 1.5-octave band centered on the signal frequency had been removed. Although the pedestal effect persists in broadband noise, it almost disappears in the notched noise. Furthermore, the pedestal effect is substantial when either high- or low-pass masking noise is used. We conclude that the pedestal effect in the absence of notched noise results principally from the use of information derived from channels with peak sensitivities at spatial frequencies different from that of the signal and the pedestal. We speculate that the spatial-frequency components of the notched noise above and below the spatial frequency of the signal and the pedestal prevent off-frequency looking, that is, prevent the use of information about changes in contrast carried in channels tuned to spatial frequencies that are very much different from that of the signal and the pedestal. Thus, the pedestal or dipper effect measured without notched noise appears not to be a characteristic of individual spatial-frequency-tuned channels.

ei Henning, G., Wichmann, F. Some observations on the pedestal effect Journal of Vision, 7(1:3):1-15, January 2007 (article)

Cue Combination and the Effect of Horizontal Disparity and Perspective on Stereoacuity

Zalevski, AM., Henning, GB., Hill, NJ.

Spatial Vision, 20(1):107-138, January 2007 (article)

Abstract

Relative depth judgments of vertical lines based on horizontal disparity deteriorate enormously when the lines form part of closed configurations (Westheimer, 1979). In studies showing this effect, perspective was not manipulated and thus produced inconsistency between horizontal disparity and perspective. We show that stereoacuity improves dramatically when perspective and horizontal disparity are made consistent. Observers appear to use unhelpful perspective cues in judging the relative depth of the vertical sides of rectangles in a way not incompatible with a form of cue weighting. However, 95% confidence intervals for the weights derived for cues usually exceed the a-priori [0-1] range.

ei Zalevski, AM., Henning, GB., Hill, NJ. Cue Combination and the Effect of Horizontal Disparity and Perspective on Stereoacuity Spatial Vision, 20(1):107-138, January 2007 (article)

2003

Concentration Inequalities for Sub-Additive Functions Using the Entropy Method

Bousquet, O.

Stochastic Inequalities and Applications, 56, pages: 213-247, Progress in Probability, (Editors: Giné, E., C. Houdré and D. Nualart), November 2003 (article)

Abstract

We obtain exponential concentration inequalities for sub-additive functions of independent random variables under weak conditions on the increments of those functions, like the existence of exponential moments for these increments. As a consequence of these general inequalities, we obtain refinements of Talagrand's inequality for empirical processes and new bounds for randomized empirical processes. These results are obtained by further developing the entropy method introduced by Ledoux.

2003

ei Bousquet, O. Concentration Inequalities for Sub-Additive Functions Using the Entropy Method Stochastic Inequalities and Applications, 56, pages: 213-247, Progress in Probability, (Editors: Giné, E., C. Houdré and D. Nualart), November 2003 (article)

Statistical Learning Theory, Capacity and Complexity

Schölkopf, B.

Complexity, 8(4):87-94, July 2003 (article)

Abstract

We give an exposition of the ideas of statistical learning theory, followed by a discussion of how a reinterpretation of the insights of learning theory could potentially also benefit our understanding of a certain notion of complexity.

ei Schölkopf, B. Statistical Learning Theory, Capacity and Complexity Complexity, 8(4):87-94, July 2003 (article)

Dealing with large Diagonals in Kernel Matrices

Weston, J., Schölkopf, B., Eskin, E., Leslie, C., Noble, W.

Annals of the Institute of Statistical Mathematics, 55(2):391-408, June 2003 (article)

Abstract

In kernel methods, all the information about the training data is contained in the Gram matrix. If this matrix has large diagonal values, which arises for many types of kernels, then kernel methods do not perform well: We propose and test several methods for dealing with this problem by reducing the dynamic range of the matrix while preserving the positive definiteness of the Hessian of the quadratic programming problem that one has to solve when training a Support Vector Machine, which is a common kernel approach for pattern recognition.

ei Weston, J., Schölkopf, B., Eskin, E., Leslie, C., Noble, W. Dealing with large Diagonals in Kernel Matrices Annals of the Institute of Statistical Mathematics, 55(2):391-408, June 2003 (article)

The em Algorithm for Kernel Matrix Completion with Auxiliary Data

Tsuda, K., Akaho, S., Asai, K.

Journal of Machine Learning Research, 4, pages: 67-81, May 2003 (article)

ei Tsuda, K., Akaho, S., Asai, K. The em Algorithm for Kernel Matrix Completion with Auxiliary Data Journal of Machine Learning Research, 4, pages: 67-81, May 2003 (article)

Constructing Descriptive and Discriminative Non-linear Features: Rayleigh Coefficients in Kernel Feature Spaces

Mika, S., Rätsch, G., Weston, J., Schölkopf, B., Smola, A., Müller, K.

IEEE Transactions on Pattern Analysis and Machine Intelligence, 25(5):623-628, May 2003 (article)

Abstract

We incorporate prior knowledge to construct nonlinear algorithms for invariant feature extraction and discrimination. Employing a unified framework in terms of a nonlinearized variant of the Rayleigh coefficient, we propose nonlinear generalizations of Fisher‘s discriminant and oriented PCA using support vector kernel functions. Extensive simulations show the utility of our approach.

ei Mika, S., Rätsch, G., Weston, J., Schölkopf, B., Smola, A., Müller, K. Constructing Descriptive and Discriminative Non-linear Features: Rayleigh Coefficients in Kernel Feature Spaces IEEE Transactions on Pattern Analysis and Machine Intelligence, 25(5):623-628, May 2003 (article)

Tractable Inference for Probabilistic Data Models

Csato, L., Opper, M., Winther, O.

Complexity, 8(4):64-68, April 2003 (article)

Abstract

We present an approximation technique for probabilistic data models with a large number of hidden variables, based on ideas from statistical physics. We give examples for two nontrivial applications. © 2003 Wiley Periodicals, Inc.

PDF GZIP Web [BibTex]

ei Csato, L., Opper, M., Winther, O. Tractable Inference for Probabilistic Data Models Complexity, 8(4):64-68, April 2003 (article)

PDF GZIP Web [BibTex]

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]

ei Weston, J., Perez-Cruz, F., Bousquet, O., Chapelle, O., Elisseeff, A., Schölkopf, B. Feature selection and transduction for prediction of molecular bioactivity for drug design Bioinformatics, 19(6):764-771, April 2003 (article)

Web [BibTex]

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.

PDF PostScript PDF [BibTex]

ei 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]

An Introduction to Variable and Feature Selection.

Guyon, I., Elisseeff, A.

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

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

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.

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