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2009


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Learning with Structured Data: Applications to Computer Vision

Nowozin, S.

Technische Universität Berlin, Germany, 2009 (phdthesis)

ei

PDF [BibTex]

2009


PDF [BibTex]


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Structure and activity of the N-terminal substrate recognition domains in proteasomal ATPases

Djuranovic, S., Hartmann, MD., Habeck, M., Ursinus, A., Zwickl, P., Martin, J., Lupas, AN., Zeth, K.

Molecular Cell, 34(5):580-590, 2009 (article)

Abstract
The proteasome forms the core of the protein quality control system in archaea and eukaryotes and also occurs in one bacterial lineage, the Actinobacteria. Access to its proteolytic compartment is controlled by AAA ATPases, whose N-terminal domains (N domains) are thought to mediate substrate recognition. The N domains of an archaeal proteasomal ATPase, Archaeoglobus fulgidus PAN, and of its actinobacterial homolog, Rhodococcus erythropolis ARC, form hexameric rings, whose subunits consist of an N-terminal coiled coil and a C-terminal OB domain. In ARC-N, the OB domains are duplicated and form separate rings. PAN-N and ARC-N can act as chaperones, preventing the aggregation of heterologous proteins in vitro, and this activity is preserved in various chimeras, even when these include coiled coils and OB domains from unrelated proteins. The structures suggest a molecular mechanism for substrate processing based on concerted radial motions of the coiled coils relative to the OB rings.

ei

DOI [BibTex]

DOI [BibTex]


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Discussion of: Brownian Distance Covariance

Gretton, A., Fukumizu, K., Sriperumbudur, B.

The Annals of Applied Statistics, 3(4):1285-1294, 2009 (article)

ei

[BibTex]

[BibTex]


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Kernel Choice and Classifiability for RKHS Embeddings of Probability Distributions

Sriperumbudur, B., Fukumizu, K., Gretton, A., Lanckriet, G., Schölkopf, B.

In Advances in Neural Information Processing Systems 22, pages: 1750-1758, (Editors: Y Bengio and D Schuurmans and J Lafferty and C Williams and A Culotta), Curran, Red Hook, NY, USA, 23rd Annual Conference on Neural Information Processing Systems (NIPS), 2009 (inproceedings)

Abstract
Embeddings of probability measures into reproducing kernel Hilbert spaces have been proposed as a straightforward and practical means of representing and comparing probabilities. In particular, the distance between embeddings (the maximum mean discrepancy, or MMD) has several key advantages over many classical metrics on distributions, namely easy computability, fast convergence and low bias of finite sample estimates. An important requirement of the embedding RKHS is that it be characteristic: in this case, the MMD between two distributions is zero if and only if the distributions coincide. Three new results on the MMD are introduced in the present study. First, it is established that MMD corresponds to the optimal risk of a kernel classifier, thus forming a natural link between the distance between distributions and their ease of classification. An important consequence is that a kernel must be characteristic to guarantee classifiability between distributions in the RKHS. Second, the class of characteristic kernels is broadened to incorporate all strictly positive definite kernels: these include non-translation invariant kernels and kernels on non-compact domains. Third, a generalization of the MMD is proposed for families of kernels, as the supremum over MMDs on a class of kernels (for instance the Gaussian kernels with different bandwidths). This extension is necessary to obtain a single distance measure if a large selection or class of characteristic kernels is potentially appropriate. This generalization is reasonable, given that it corresponds to the problem of learning the kernel by minimizing the risk of the corresponding kernel classifier. The generalized MMD is shown to have consistent finite sample estimates, and its performance is demonstrated on a homogeneity testing example.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Nonlinear directed acyclic structure learning with weakly additive noise models

Tillman, R., Gretton, A., Spirtes, P.

In Advances in Neural Information Processing Systems 22, pages: 1847-1855, (Editors: Bengio, Y. , D. Schuurmans, J. Lafferty, C. Williams, A. Culotta), Curran, Red Hook, NY, USA, 23rd Annual Conference on Neural Information Processing Systems (NIPS), 2009 (inproceedings)

Abstract
The recently proposed emph{additive noise model} has advantages over previous structure learning algorithms, when attempting to recover some true data generating mechanism, since it (i) does not assume linearity or Gaussianity and (ii) can recover a unique DAG rather than an equivalence class. However, its original extension to the multivariate case required enumerating all possible DAGs, and for some special distributions, e.g. linear Gaussian, the model is invertible and thus cannot be used for structure learning. We present a new approach which combines a PC style search using recent advances in kernel measures of conditional dependence with local searches for additive noise models in substructures of the equivalence class. This results in a more computationally efficient approach that is useful for arbitrary distributions even when additive noise models are invertible. Experiments with synthetic and real data show that this method is more accurate than previous methods when data are nonlinear and/or non-Gaussian.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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From Differential Equations to Differential Geometry: Aspects of Regularisation in Machine Learning

Steinke, F.

Universität des Saarlandes, Saarbrücken, Germany, 2009 (phdthesis)

ei

PDF [BibTex]


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Graphical models for decoding in BCI visual speller systems

Martens, S., Farquhar, J., Hill, J., Schölkopf, B.

In pages: 470-473, IEEE, 4th International IEEE EMBS Conference on Neural Engineering (NER), 2009 (inproceedings)

ei

DOI [BibTex]

DOI [BibTex]


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A Fast, Consistent Kernel Two-Sample Test

Gretton, A., Fukumizu, K., Harchaoui, Z., Sriperumbudur, B.

In Advances in Neural Information Processing Systems 22, pages: 673-681, (Editors: Bengio, Y. , D. Schuurmans, J. Lafferty, C. Williams, A. Culotta), Curran, Red Hook, NY, USA, 23rd Annual Conference on Neural Information Processing Systems (NIPS), 2009 (inproceedings)

Abstract
A kernel embedding of probability distributions into reproducing kernel Hilbert spaces (RKHS) has recently been proposed, which allows the comparison of two probability measures P and Q based on the distance between their respective embeddings: for a sufficiently rich RKHS, this distance is zero if and only if P and Q coincide. In using this distance as a statistic for a test of whether two samples are from different distributions, a major difficulty arises in computing the significance threshold, since the empirical statistic has as its null distribution (where P = Q) an infinite weighted sum of x2 random variables. Prior finite sample approximations to the null distribution include using bootstrap resampling, which yields a consistent estimate but is computationally costly; and fitting a parametric model with the low order moments of the test statistic, which can work well in practice but has no consistency or accuracy guarantees. The main result of the present work is a novel estimate of the null distribution, computed from the eigenspectrum of the Gram matrix on the aggregate sample from P and Q, and having lower computational cost than the bootstrap. A proof of consistency of this estimate is provided. The performance of the null distribution estimate is compared with the bootstrap and parametric approaches on an artificial example, high dimensional multivariate data, and text.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Augmenting Feature-driven fMRI Analyses: Semi-supervised learning and resting state activity

Blaschko, M., Shelton, J., Bartels, A.

In Advances in Neural Information Processing Systems 22, pages: 126-134, (Editors: Bengio, Y. , D. Schuurmans, J. Lafferty, C. Williams, A. Culotta), Curran, Red Hook, NY, USA, 23rd Annual Conference on Neural Information Processing Systems (NIPS), 2009 (inproceedings)

Abstract
Resting state activity is brain activation that arises in the absence of any task, and is usually measured in awake subjects during prolonged fMRI scanning sessions where the only instruction given is to close the eyes and do nothing. It has been recognized in recent years that resting state activity is implicated in a wide variety of brain function. While certain networks of brain areas have different levels of activation at rest and during a task, there is nevertheless significant similarity between activations in the two cases. This suggests that recordings of resting state activity can be used as a source of unlabeled data to augment discriminative regression techniques in a semi-supervised setting. We evaluate this setting empirically yielding three main results: (i) regression tends to be improved by the use of Laplacian regularization even when no additional unlabeled data are available, (ii) resting state data seem to have a similar marginal distribution to that recorded during the execution of a visual processing task implying largely similar types of activation, and (iii) this source of information can be broadly exploited to improve the robustness of empirical inference in fMRI studies, an inherently data poor domain.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Non-linear System Identification: Visual Saliency Inferred from Eye-Movement Data

Wichmann, F., Kienzle, W., Schölkopf, B., Franz, M.

Journal of Vision, 9(8):article 32, 2009 (article)

Abstract
For simple visual patterns under the experimenter's control we impose which information, or features, an observer can use to solve a given perceptual task. For natural vision tasks, however, there are typically a multitude of potential features in a given visual scene which the visual system may be exploiting when analyzing it: edges, corners, contours, etc. Here we describe a novel non-linear system identification technique based on modern machine learning methods that allows the critical features an observer uses to be inferred directly from the observer's data. The method neither requires stimuli to be embedded in noise nor is it limited to linear perceptive fields (classification images). We demonstrate our technique by deriving the critical image features observers fixate in natural scenes (bottom-up visual saliency). Unlike previous studies where the relevant structure is determined manually—e.g. by selecting Gabors as visual filters—we do not make any assumptions in this regard, but numerically infer number and properties them from the eye-movement data. We show that center-surround patterns emerge as the optimal solution for predicting saccade targets from local image structure. The resulting model, a one-layer feed-forward network with contrast gain-control, is surprisingly simple compared to previously suggested saliency models. Nevertheless, our model is equally predictive. Furthermore, our findings are consistent with neurophysiological hardware in the superior colliculus. Bottom-up visual saliency may thus not be computed cortically as has been thought previously.

ei

Web DOI [BibTex]


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mGene.web: a web service for accurate computational gene finding

Schweikert, G., Behr, J., Zien, A., Zeller, G., Ong, C., Sonnenburg, S., Rätsch, G.

Nucleic Acids Research, 37, pages: W312-6, 2009 (article)

Abstract
We describe mGene.web, a web service for the genome-wide prediction of protein coding genes from eukaryotic DNA sequences. It offers pre-trained models for the recognition of gene structures including untranslated regions in an increasing number of organisms. With mGene.web, users have the additional possibility to train the system with their own data for other organisms on the push of a button, a functionality that will greatly accelerate the annotation of newly sequenced genomes. The system is built in a highly modular way, such that individual components of the framework, like the promoter prediction tool or the splice site predictor, can be used autonomously. The underlying gene finding system mGene is based on discriminative machine learning techniques and its high accuracy has been demonstrated in an international competition on nematode genomes. mGene.web is available at http://www.mgene.org/web, it is free of charge and can be used for eukaryotic genomes of small to moderate size (several hundred Mbp).

ei

DOI [BibTex]

DOI [BibTex]


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Fast subtree kernels on graphs

Shervashidze, N., Borgwardt, K.

In Advances in Neural Information Processing Systems 22, pages: 1660-1668, (Editors: Bengio, Y. , D. Schuurmans, J. Lafferty, C. Williams, A. Culotta), Curran, Red Hook, NY, USA, 23rd Annual Conference on Neural Information Processing Systems (NIPS), 2009 (inproceedings)

Abstract
In this article, we propose fast subtree kernels on graphs. On graphs with n nodes and m edges and maximum degree d, these kernels comparing subtrees of height h can be computed in O(mh), whereas the classic subtree kernel by Ramon & G{\"a}rtner scales as O(n24dh). Key to this efficiency is the observation that the Weisfeiler-Lehman test of isomorphism from graph theory elegantly computes a subtree kernel as a byproduct. Our fast subtree kernels can deal with labeled graphs, scale up easily to large graphs and outperform state-of-the-art graph kernels on several classification benchmark datasets in terms of accuracy and runtime.

ei

PDF Web [BibTex]

PDF Web [BibTex]

2007


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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.

ei

PDF PDF DOI [BibTex]

2007


PDF PDF DOI [BibTex]


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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 concepts—the so-called kernel trick, the representer theorem and regularization—which may open up the possibility that insights from machine learning can feed back into psychology.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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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

PDF DOI [BibTex]

PDF DOI [BibTex]


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Towards compliant humanoids: an experimental assessment of suitable task space position/orientation controllers

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

In IROS 2007, 2007, pages: 2520-2527, (Editors: Grant, E. , T. C. Henderson), IEEE Service Center, Piscataway, NJ, USA, IEEE/RSJ International Conference on Intelligent Robots and Systems, November 2007 (inproceedings)

Abstract
Compliant control will be a prerequisite for humanoid robotics if these robots are supposed to work safely and robustly in human and/or dynamic environments. One view of compliant control is that a robot should control a minimal number of degrees-of-freedom (DOFs) directly, i.e., those relevant DOFs for the task, and keep the remaining DOFs maximally compliant, usually in the null space of the task. This view naturally leads to task space control. However, surprisingly few implementations of task space control can be found in actual humanoid robots. This paper makes a first step towards assessing the usefulness of task space controllers for humanoids by investigating which choices of controllers are available and what inherent control characteristics they have—this treatment will concern position and orientation control, where the latter is based on a quaternion formulation. Empirical evaluations on an anthropomorphic Sarcos master arm illustrate the robustness of the different controllers as well as the eas e of implementing and tuning them. Our extensive empirical results demonstrate that simpler task space controllers, e.g., classical resolved motion rate control or resolved acceleration control can be quite advantageous in face of inevitable modeling errors in model-based control, and that well chosen formulations are easy to implement and quite robust, such that they are useful for humanoids.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Some Theoretical Aspects of Human Categorization Behavior: Similarity and Generalization

Jäkel, F.

Biologische Kybernetik, Eberhard-Karls-Universität Tübingen, Tübingen, Germany, November 2007, passed with "ausgezeichnet", summa cum laude, published online (phdthesis)

ei

PDF [BibTex]

PDF [BibTex]


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Statistical Learning Theory Approaches to Clustering

Jegelka, S.

Biologische Kybernetik, Eberhard-Karls-Universität Tübingen, Tübingen, Germany, November 2007 (diplomathesis)

ei

PDF [BibTex]

PDF [BibTex]


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Performance Stabilization and Improvement in Graph-based Semi-supervised Learning with Ensemble Method and Graph Sharpening

Choi, I., Shin, H.

In Korean Data Mining Society Conference, pages: 257-262, Korean Data Mining Society, Seoul, Korea, Korean Data Mining Society Conference, November 2007 (inproceedings)

ei

PDF [BibTex]

PDF [BibTex]


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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 2003:1783–1800, 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

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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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.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Discriminative Subsequence Mining for Action Classification

Nowozin, S., BakIr, G., Tsuda, K.

In ICCV 2007, pages: 1919-1923, IEEE Computer Society, Los Alamitos, CA, USA, 11th IEEE International Conference on Computer Vision, October 2007 (inproceedings)

Abstract
Recent approaches to action classification in videos have used sparse spatio-temporal words encoding local appearance around interesting movements. Most of these approaches use a histogram representation, discarding the temporal order among features. But this ordering information can contain important information about the action itself, e.g. consider the sport disciplines of hurdle race and long jump, where the global temporal order of motions (running, jumping) is important to discriminate between the two. In this work we propose to use a sequential representation which retains this temporal order. Further, we introduce Discriminative Subsequence Mining to find optimal discriminative subsequence patterns. In combination with the LPBoost classifier, this amounts to simultaneously learning a classification function and performing feature selection in the space of all possible feature sequences. The resulting classifier linearly combines a small number of interpretable decision functions, each checking for the presence of a single discriminative pattern. The classifier is benchmarked on the KTH action classification data set and outperforms the best known results in the literature.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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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

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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A Hilbert Space Embedding for Distributions

Smola, A., Gretton, A., Song, L., Schölkopf, B.

In Algorithmic Learning Theory, Lecture Notes in Computer Science 4754 , pages: 13-31, (Editors: M Hutter and RA Servedio and E Takimoto), Springer, Berlin, Germany, 18th International Conference on Algorithmic Learning Theory (ALT), October 2007 (inproceedings)

Abstract
We describe a technique for comparing distributions without the need for density estimation as an intermediate step. Our approach relies on mapping the distributions into a reproducing kernel Hilbert space. Applications of this technique can be found in two-sample tests, which are used for determining whether two sets of observations arise from the same distribution, covariate shift correction, local learning, measures of independence, and density estimation.

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Cluster Identification in Nearest-Neighbor Graphs

Maier, M., Hein, M., von Luxburg, U.

In ALT 2007, pages: 196-210, (Editors: Hutter, M. , R. A. Servedio, E. Takimoto), Springer, Berlin, Germany, 18th International Conference on Algorithmic Learning Theory, October 2007 (inproceedings)

Abstract
Assume we are given a sample of points from some underlying distribution which contains several distinct clusters. Our goal is to construct a neighborhood graph on the sample points such that clusters are ``identified‘‘: that is, the subgraph induced by points from the same cluster is connected, while subgraphs corresponding to different clusters are not connected to each other. We derive bounds on the probability that cluster identification is successful, and use them to predict ``optimal‘‘ values of k for the mutual and symmetric k-nearest-neighbor graphs. We point out different properties of the mutual and symmetric nearest-neighbor graphs related to the cluster identification problem.

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Inducing Metric Violations in Human Similarity Judgements

Laub, J., Macke, J., Müller, K., Wichmann, F.

In Advances in Neural Information Processing Systems 19, pages: 777-784, (Editors: Schölkopf, B. , J. Platt, T. Hofmann), MIT Press, Cambridge, MA, USA, Twentieth Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
Attempting to model human categorization and similarity judgements is both a very interesting but also an exceedingly difficult challenge. Some of the difficulty arises because of conflicting evidence whether human categorization and similarity judgements should or should not be modelled as to operate on a mental representation that is essentially metric. Intuitively, this has a strong appeal as it would allow (dis)similarity to be represented geometrically as distance in some internal space. Here we show how a single stimulus, carefully constructed in a psychophysical experiment, introduces l2 violations in what used to be an internal similarity space that could be adequately modelled as Euclidean. We term this one influential data point a conflictual judgement. We present an algorithm of how to analyse such data and how to identify the crucial point. Thus there may not be a strict dichotomy between either a metric or a non-metric internal space but rather degrees to which potentially large subsets of stimuli are represented metrically with a small subset causing a global violation of metricity.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Cross-Validation Optimization for Large Scale Hierarchical Classification Kernel Methods

Seeger, M.

In Advances in Neural Information Processing Systems 19, pages: 1233-1240, (Editors: Schölkopf, B. , J. Platt, T. Hofmann), MIT Press, Cambridge, MA, USA, Twentieth Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
We propose a highly efficient framework for kernel multi-class models with a large and structured set of classes. Kernel parameters are learned automatically by maximizing the cross-validation log likelihood, and predictive probabilities are estimated. We demonstrate our approach on large scale text classification tasks with hierarchical class structure, achieving state-of-the-art results in an order of magnitude less time than previous work.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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A Local Learning Approach for Clustering

Wu, M., Schölkopf, B.

In Advances in Neural Information Processing Systems 19, pages: 1529-1536, (Editors: B Schölkopf and J Platt and T Hofmann), MIT Press, Cambridge, MA, USA, 20th Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
We present a local learning approach for clustering. The basic idea is that a good clustering result should have the property that the cluster label of each data point can be well predicted based on its neighboring data and their cluster labels, using current supervised learning methods. An optimization problem is formulated such that its solution has the above property. Relaxation and eigen-decomposition are applied to solve this optimization problem. We also briefly investigate the parameter selection issue and provide a simple parameter selection method for the proposed algorithm. Experimental results are provided to validate the effectiveness of the proposed approach.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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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.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Branch and Bound for Semi-Supervised Support Vector Machines

Chapelle, O., Sindhwani, V., Keerthi, S.

In Advances in Neural Information Processing Systems 19, pages: 217-224, (Editors: Schölkopf, B. , J. Platt, T. Hofmann), MIT Press, Cambridge, MA, USA, Twentieth Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
Semi-supervised SVMs (S3VMs) attempt to learn low-density separators by maximizing the margin over labeled and unlabeled examples. The associated optimization problem is non-convex. To examine the full potential of S3VMs modulo local minima problems in current implementations, we apply branch and bound techniques for obtaining exact, globally optimal solutions. Empirical evidence suggests that the globally optimal solution can return excellent generalization performance in situations where other implementations fail completely. While our current implementation is only applicable to small datasets, we discuss variants that can potentially lead to practically useful algorithms.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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A Kernel Method for the Two-Sample-Problem

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

In Advances in Neural Information Processing Systems 19, pages: 513-520, (Editors: B Schölkopf and J Platt and T Hofmann), MIT Press, Cambridge, MA, USA, 20th Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
We propose two statistical tests to determine if two samples are from different distributions. Our test statistic is in both cases the distance between the means of the two samples mapped into a reproducing kernel Hilbert space (RKHS). The first test is based on a large deviation bound for the test statistic, while the second is based on the asymptotic distribution of this statistic. The test statistic can be computed in $O(m^2)$ time. We apply our approach to a variety of problems, including attribute matching for databases using the Hungarian marriage method, where our test performs strongly. We also demonstrate excellent performance when comparing distributions over graphs, for which no alternative tests currently exist.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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An Efficient Method for Gradient-Based Adaptation of Hyperparameters in SVM Models

Keerthi, S., Sindhwani, V., Chapelle, O.

In Advances in Neural Information Processing Systems 19, pages: 673-680, (Editors: Schölkopf, B. , J. Platt, T. Hofmann), MIT Press, Cambridge, MA, USA, Twentieth Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
We consider the task of tuning hyperparameters in SVM models based on minimizing a smooth performance validation function, e.g., smoothed k-fold cross-validation error, using non-linear optimization techniques. The key computation in this approach is that of the gradient of the validation function with respect to hyperparameters. We show that for large-scale problems involving a wide choice of kernel-based models and validation functions, this computation can be very efficiently done; often within just a fraction of the training time. Empirical results show that a near-optimal set of hyperparameters can be identified by our approach with very few training rounds and gradient computations.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Learning Dense 3D Correspondence

Steinke, F., Schölkopf, B., Blanz, V.

In Advances in Neural Information Processing Systems 19, pages: 1313-1320, (Editors: B Schölkopf and J Platt and T Hofmann), MIT Press, Cambridge, MA, USA, 20th Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
Establishing correspondence between distinct objects is an important and nontrivial task: correctness of the correspondence hinges on properties which are difficult to capture in an a priori criterion. While previous work has used a priori criteria which in some cases led to very good results, the present paper explores whether it is possible to learn a combination of features that, for a given training set of aligned human heads, characterizes the notion of correct correspondence. By optimizing this criterion, we are then able to compute correspondence and morphs for novel heads.

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PDF Web [BibTex]

PDF Web [BibTex]


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Optimal Dominant Motion Estimation using Adaptive Search of Transformation Space

Ulges, A., Lampert, CH., Keysers, D., Breuel, TM.

In DAGM 2007, pages: 204-215, (Editors: Hamprecht, F. A., C. Schnörr, B. Jähne), Springer, Berlin, Germany, 29th Annual Symposium of the German Association for Pattern Recognition, September 2007 (inproceedings)

Abstract
The extraction of a parametric global motion from a motion field is a task with several applications in video processing. We present two probabilistic formulations of the problem and carry out optimization using the RAST algorithm, a geometric matching method novel to motion estimation in video. RAST uses an exhaustive and adaptive search of transformation space and thus gives -- in contrast to local sampling optimization techniques used in the past -- a globally optimal solution. Among other applications, our framework can thus be used as a source of ground truth for benchmarking motion estimation algorithms. Our main contributions are: first, the novel combination of a state-of- the-art MAP criterion for dominant motion estimation with a search procedure that guarantees global optimality. Second, experimental re- sults that illustrate the superior performance of our approach on synthetic flow fields as well as real-world video streams. Third, a significant speedup of the search achieved by extending the mod el with an additional smoothness prior.

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PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Output Grouping using Dirichlet Mixtures of Linear Gaussian State-Space Models

Chiappa, S., Barber, D.

In ISPA 2007, pages: 446-451, IEEE Computer Society, Los Alamitos, CA, USA, 5th International Symposium on Image and Signal Processing and Analysis, September 2007 (inproceedings)

Abstract
We consider a model to cluster the components of a vector time-series. The task is to assign each component of the vector time-series to a single cluster, basing this assignment on the simultaneous dynamical similarity of the component to other components in the cluster. This is in contrast to the more familiar task of clustering a set of time-series based on global measures of their similarity. The model is based on a Dirichlet Mixture of Linear Gaussian State-Space models (LGSSMs), in which each LGSSM is treated with a prior to encourage the simplest explanation. The resulting model is approximated using a ‘collapsed’ variational Bayes implementation.

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PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Manifold Denoising

Hein, M., Maier, M.

In Advances in Neural Information Processing Systems 19, pages: 561-568, (Editors: Schölkopf, B. , J. Platt, T. Hofmann), MIT Press, Cambridge, MA, USA, Twentieth Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
We consider the problem of denoising a noisily sampled submanifold $M$ in $R^d$, where the submanifold $M$ is a priori unknown and we are only given a noisy point sample. The presented denoising algorithm is based on a graph-based diffusion process of the point sample. We analyze this diffusion process using recent results about the convergence of graph Laplacians. In the experiments we show that our method is capable of dealing with non-trivial high-dimensional noise. Moreover using the denoising algorithm as pre-processing method we can improve the results of a semi-supervised learning algorithm.

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PDF Web [BibTex]

PDF Web [BibTex]


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How to Find Interesting Locations in Video: A Spatiotemporal Interest Point Detector Learned from Human Eye movements

Kienzle, W., Schölkopf, B., Wichmann, F., Franz, M.

In Pattern Recognition, pages: 405-414, (Editors: FA Hamprecht and C Schnörr and B Jähne), Springer, Berlin, Germany, 29th Annual Symposium of the German Association for Pattern Recognition (DAGM), September 2007 (inproceedings)

Abstract
Interest point detection in still images is a well-studied topic in computer vision. In the spatiotemporal domain, however, it is still unclear which features indicate useful interest points. In this paper we approach the problem by emph{learning} a detector from examples: we record eye movements of human subjects watching video sequences and train a neural network to predict which locations are likely to become eye movement targets. We show that our detector outperforms current spatiotemporal interest point architectures on a standard classification dataset.

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PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Bayesian Inference for Sparse Generalized Linear Models

Seeger, M., Gerwinn, S., Bethge, M.

In ECML 2007, pages: 298-309, Lecture Notes in Computer Science ; 4701, (Editors: Kok, J. N., J. Koronacki, R. Lopez de Mantaras, S. Matwin, D. Mladenic, A. Skowron), Springer, Berlin, Germany, 18th European Conference on Machine Learning, September 2007 (inproceedings)

Abstract
We present a framework for efficient, accurate approximate Bayesian inference in generalized linear models (GLMs), based on the expectation propagation (EP) technique. The parameters can be endowed with a factorizing prior distribution, encoding properties such as sparsity or non-negativity. The central role of posterior log-concavity in Bayesian GLMs is emphasized and related to stability issues in EP. In particular, we use our technique to infer the parameters of a point process model for neuronal spiking data from multiple electrodes, demonstrating significantly superior predictive performance when a sparsity assumption is enforced via a Laplace prior distribution.

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PDF DOI [BibTex]

PDF DOI [BibTex]


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Implicit Surfaces with Globally Regularised and Compactly Supported Basis Functions

Walder, C., Schölkopf, B., Chapelle, O.

In Advances in Neural Information Processing Systems 19, pages: 273-280, (Editors: B Schölkopf and J Platt and T Hofmann), MIT Press, Cambridge, MA, USA, 20th Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
We consider the problem of constructing a function whose zero set is to represent a surface, given sample points with surface normal vectors. The contributions include a novel means of regularising multi-scale compactly supported basis functions that leads to the desirable properties previously only associated with fully supported bases, and show equivalence to a Gaussian process with modified covariance function. We also provide a regularisation framework for simpler and more direct treatment of surface normals, along with a corresponding generalisation of the representer theorem. We demonstrate the techniques on 3D problems of up to 14 million data points, as well as 4D time series data.

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PDF Web [BibTex]

PDF Web [BibTex]


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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.

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PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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A Nonparametric Approach to Bottom-Up Visual Saliency

Kienzle, W., Wichmann, F., Schölkopf, B., Franz, M.

In Advances in Neural Information Processing Systems 19, pages: 689-696, (Editors: B Schölkopf and J Platt and T Hofmann), MIT Press, Cambridge, MA, USA, 20th Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
This paper addresses the bottom-up influence of local image information on human eye movements. Most existing computational models use a set of biologically plausible linear filters, e.g., Gabor or Difference-of-Gaussians filters as a front-end, the outputs of which are nonlinearly combined into a real number that indicates visual saliency. Unfortunately, this requires many design parameters such as the number, type, and size of the front-end filters, as well as the choice of nonlinearities, weighting and normalization schemes etc., for which biological plausibility cannot always be justified. As a result, these parameters have to be chosen in a more or less ad hoc way. Here, we propose to emph{learn} a visual saliency model directly from human eye movement data. The model is rather simplistic and essentially parameter-free, and therefore contrasts recent developments in the field that usually aim at higher prediction rates at the cost of additional parameters and increasing model complexity. Experimental results show that - despite the lack of any biological prior knowledge - our model performs comparably to existing approaches, and in fact learns image features that resemble findings from several previous studies. In particular, its maximally excitatory stimuli have center-surround structure, similar to receptive fields in the early human visual system.

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PDF Web [BibTex]

PDF Web [BibTex]


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Information Bottleneck for Non Co-Occurrence Data

Seldin, Y., Slonim, N., Tishby, N.

In Advances in Neural Information Processing Systems 19, pages: 1241-1248, (Editors: Schölkopf, B. , J. Platt, T. Hofmann), MIT Press, Cambridge, MA, USA, Twentieth Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
We present a general model-independent approach to the analysis of data in cases when these data do not appear in the form of co-occurrence of two variables X, Y, but rather as a sample of values of an unknown (stochastic) function Z(X,Y). For example, in gene expression data, the expression level Z is a function of gene X and condition Y; or in movie ratings data the rating Z is a function of viewer X and movie Y . The approach represents a consistent extension of the Information Bottleneck method that has previously relied on the availability of co-occurrence statistics. By altering the relevance variable we eliminate the need in the sample of joint distribution of all input variables. This new formulation also enables simple MDL-like model complexity control and prediction of missing values of Z. The approach is analyzed and shown to be on a par with the best known clustering algorithms for a wide range of domains. For the prediction of missing values (collaborative filtering) it improves the currently best known results.

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PDF Web [BibTex]

PDF Web [BibTex]


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Learning with Hypergraphs: Clustering, Classification, and Embedding

Zhou, D., Huang, J., Schölkopf, B.

In Advances in Neural Information Processing Systems 19, pages: 1601-1608, (Editors: B Schölkopf and J Platt and T Hofmann), MIT Press, Cambridge, MA, USA, 20th Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
We usually endow the investigated objects with pairwise relationships, which can be illustrated as graphs. In many real-world problems, however, relationships among the objects of our interest are more complex than pairwise. Naively squeezing the complex relationships into pairwise ones will inevitably lead to loss of information which can be expected valuable for our learning tasks however. Therefore we consider using hypergraphs instead to completely represent complex relationships among the objects of our interest, and thus the problem of learning with hypergraphs arises. Our main contribution in this paper is to generalize the powerful methodology of spectral clustering which originally operates on undirected graphs to hypergraphs, and further develop algorithms for hypergraph embedding and transductive classi¯cation on the basis of the spectral hypergraph clustering approach. Our experiments on a number of benchmarks showed the advantages of hypergraphs over usual graphs.

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PDF Web [BibTex]

PDF Web [BibTex]


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Correcting Sample Selection Bias by Unlabeled Data

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

In Advances in Neural Information Processing Systems 19, pages: 601-608, (Editors: B Schölkopf and J Platt and T Hofmann), MIT Press, Cambridge, MA, USA, 20th Annual Conference on Neural Information Processing Systems (NIPS), September 2007 (inproceedings)

Abstract
We consider the scenario where training and test data are drawn from different distributions, commonly referred to as sample selection bias. Most algorithms for this setting try to first recover sampling distributions and then make appropriate corrections based on the distribution estimate. We present a nonparametric method which directly produces resampling weights without distribution estimation. Our method works by matching distributions between training and testing sets in feature space. Experimental results demonstrate that our method works well in practice.

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PDF Web [BibTex]

PDF Web [BibTex]


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Collaborative Filtering via Ensembles of Matrix Factorizations

Wu, M.

In KDD Cup and Workshop 2007, pages: 43-47, KDD Cup and Workshop, August 2007 (inproceedings)

Abstract
We present a Matrix Factorization(MF) based approach for the Netflix Prize competition. Currently MF based algorithms are popular and have proved successful for collaborative filtering tasks. For the Netflix Prize competition, we adopt three different types of MF algorithms: regularized MF, maximum margin MF and non-negative MF. Furthermore, for each MF algorithm, instead of selecting the optimal parameters, we combine the results obtained with several parameters. With this method, we achieve a performance that is more than 6% better than the Netflix‘s own system.

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PDF Web [BibTex]

PDF Web [BibTex]


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Online-Computation Approach to Optimal Control of Noise-Affected Nonlinear Systems with Continuous State and Control Spaces

Deisenroth, MP., Weissel, F., Ohtsuka, T., Hanebeck, UD.

In ECC‘07, pages: 3664-3671, 9th European Control Conference, July 2007 (inproceedings)

Abstract
A novel online-computation approach to optimal control of nonlinear, noise-affected systems with continuous state and control spaces is presented. In the proposed algorithm, system noise is explicitly incorporated into the control decision. This leads to superior results compared to state-of-the-art nonlinear controllers that neglect this influence. The solution of an optimal nonlinear controller for a corresponding deterministic system is employed to find a meaningful state space restriction. This restriction is obtained by means of approximate state prediction using the noisy system equation. Within this constrained state space, an optimal closed-loop solution for a finite decision-making horizon (prediction horizon) is determined within an adaptively restricted optimization space. Interleaving stochastic dynamic programming and value function approximation yields a solution to the considered optimal control problem. The enhanced performance of the proposed discrete-time controller is illustrated by means o f a scalar example system. Nonlinear model predictive control is applied to address approximate treatment of infinite-horizon problems by the finite-horizon controller.

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PDF Web [BibTex]

PDF Web [BibTex]


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Error Correcting Codes for the P300 Visual Speller

Biessmann, F.

Biologische Kybernetik, Eberhard-Karls-Universität Tübingen, Tübingen, Germany, July 2007 (diplomathesis)

Abstract
The aim of brain-computer interface (BCI) research is to establish a communication system based on intentional modulation of brain activity. This is accomplished by classifying patterns of brain ac- tivity, volitionally induced by the user. The BCI presented in this study is based on a classical paradigm as proposed by (Farwell and Donchin, 1988), the P300 visual speller. Recording electroencephalo- grams (EEG) from the scalp while presenting letters successively to the user, the speller can infer from the brain signal which letter the user was focussing on. Since EEG recordings are noisy, usually many repetitions are needed to detect the correct letter. The focus of this study was to improve the accuracy of the visual speller applying some basic principles from information theory: Stimulus sequences of the speller have been modified into error-correcting codes. Additionally a language model was incorporated into the probabilistic letter de- coder. Classification of single EEG epochs was less accurate using error correcting codes. However, the novel code could compensate for that such that overall, letter accuracies were as high as or even higher than for classical stimulus codes. In particular at high noise levels, error-correcting decoding achieved higher letter accuracies.

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PDF [BibTex]

PDF [BibTex]


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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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PDF Web DOI [BibTex]

PDF Web DOI [BibTex]