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2015


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Probabilistic Line Searches for Stochastic Optimization

Mahsereci, M., Hennig, P.

In Advances in Neural Information Processing Systems 28, pages: 181-189, (Editors: C. Cortes, N.D. Lawrence, D.D. Lee, M. Sugiyama and R. Garnett), Curran Associates, Inc., 29th Annual Conference on Neural Information Processing Systems (NIPS), 2015 (inproceedings)

Abstract
In deterministic optimization, line searches are a standard tool ensuring stability and efficiency. Where only stochastic gradients are available, no direct equivalent has so far been formulated, because uncertain gradients do not allow for a strict sequence of decisions collapsing the search space. We construct a probabilistic line search by combining the structure of existing deterministic methods with notions from Bayesian optimization. Our method retains a Gaussian process surrogate of the univariate optimization objective, and uses a probabilistic belief over the Wolfe conditions to monitor the descent. The algorithm has very low computational cost, and no user-controlled parameters. Experiments show that it effectively removes the need to define a learning rate for stochastic gradient descent. [You can find the matlab research code under `attachments' below. The zip-file contains a minimal working example. The docstring in probLineSearch.m contains additional information. A more polished implementation in C++ will be published here at a later point. For comments and questions about the code please write to mmahsereci@tue.mpg.de.]

Matlab research code link (url) [BibTex]

2015

Matlab research code link (url) [BibTex]


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BACKSHIFT: Learning causal cyclic graphs from unknown shift interventions

Rothenhäusler, D., Heinze, C., Peters, J., Meinshausen, N.

Advances in Neural Information Processing Systems 28, pages: 1513-1521, (Editors: C. Cortes, N.D. Lawrence, D.D. Lee, M. Sugiyama and R. Garnett), Curran Associates, Inc., 29th Annual Conference on Neural Information Processing Systems (NIPS), 2015 (conference)

link (url) [BibTex]

link (url) [BibTex]


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Particle Gibbs for Infinite Hidden Markov Models

Tripuraneni*, N., Gu*, S., Ge, H., Ghahramani, Z.

Advances in Neural Information Processing Systems 28, pages: 2395-2403, (Editors: Corinna Cortes, Neil D. Lawrence, Daniel D. Lee, Masashi Sugiyama, and Roman Garnett), 29th Annual Conference on Neural Information Processing Systems (NIPS), 2015, *equal contribution (conference)

PDF [BibTex]

PDF [BibTex]


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Peer grading in a course on algorithms and data structures

Sajjadi, M. S. M., Alamgir, M., von Luxburg, U.

Workshop on Crowdsourcing and Machine Learning (CrowdML) Workshop on Machine Learning for Education (ML4Ed) at at the 32th International Conference on Machine Learning (ICML), 2015 (conference)

Arxiv [BibTex]

Arxiv [BibTex]


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A Random Riemannian Metric for Probabilistic Shortest-Path Tractography

Hauberg, S., Schober, M., Liptrot, M., Hennig, P., Feragen, A.

In 18th International Conference on Medical Image Computing and Computer Assisted Intervention, 9349, pages: 597-604, Lecture Notes in Computer Science, MICCAI, 2015 (inproceedings)

PDF DOI [BibTex]

PDF DOI [BibTex]


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Recent Methodological Advances in Causal Discovery and Inference

Spirtes, P., Zhang, K.

In 15th Conference on Theoretical Aspects of Rationality and Knowledge, pages: 23-35, (Editors: Ramanujam, R.), TARK, 2015 (inproceedings)

[BibTex]

[BibTex]


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Learning Optimal Striking Points for A Ping-Pong Playing Robot

Huang, Y., Schölkopf, B., Peters, J.

In IEEE/RSJ International Conference on Intelligent Robots and Systems, pages: 4587-4592, IROS, 2015 (inproceedings)

PDF DOI [BibTex]

PDF DOI [BibTex]


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Model-Based Relative Entropy Stochastic Search

Abdolmaleki, A., Peters, J., Neumann, G.

In Advances in Neural Information Processing Systems 28, pages: 3523-3531, (Editors: C. Cortes, N.D. Lawrence, D.D. Lee, M. Sugiyama and R. Garnett), Curran Associates, Inc., 29th Annual Conference on Neural Information Processing Systems (NIPS), 2015 (inproceedings)

link (url) [BibTex]

link (url) [BibTex]


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Modeling Spatio-Temporal Variability in Human-Robot Interaction with Probabilistic Movement Primitives

Ewerton, M., Neumann, G., Lioutikov, R., Ben Amor, H., Peters, J., Maeda, G.

In Workshop on Machine Learning for Social Robotics, ICRA, 2015 (inproceedings)

link (url) [BibTex]

link (url) [BibTex]


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Extracting Low-Dimensional Control Variables for Movement Primitives

Rueckert, E., Mundo, J., Paraschos, A., Peters, J., Neumann, G.

In IEEE International Conference on Robotics and Automation, pages: 1511-1518, ICRA, 2015 (inproceedings)

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Self-calibration of optical lenses

Hirsch, M., Schölkopf, B.

In IEEE International Conference on Computer Vision (ICCV 2015), pages: 612-620, IEEE, 2015 (inproceedings)

DOI [BibTex]

DOI [BibTex]


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Sequential Image Deconvolution Using Probabilistic Linear Algebra

Gao, M.

Technical University of Munich, Germany, 2015 (mastersthesis)

[BibTex]

[BibTex]


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Telling cause from effect in deterministic linear dynamical systems

Shajarisales, N., Janzing, D., Schölkopf, B., Besserve, M.

In Proceedings of the 32nd International Conference on Machine Learning, 37, pages: 285–294, JMLR Workshop and Conference Proceedings, (Editors: F. Bach and D. Blei), JMLR, ICML, 2015 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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A Cognitive Brain-Computer Interface for Patients with Amyotrophic Lateral Sclerosis

Hohmann, M. R., Fomina, T., Jayaram, V., Widmann, N., Förster, C., Müller vom Hagen, J., Synofzik, M., Schölkopf, B., Schöls, L., Grosse-Wentrup, M.

In Proceedings of the 2015 IEEE International Conference on Systems, Man, and Cybernetics, pages: 3187-3191, SMC, 2015 (inproceedings)

PDF DOI [BibTex]

PDF DOI [BibTex]


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Efficient Learning of Linear Separators under Bounded Noise

Awasthi, P., Balcan, M., Haghtalab, N., Urner, R.

In Proceedings of the 28th Conference on Learning Theory, 40, pages: 167-190, (Editors: Grünwald, P. and Hazan, E. and Kale, S.), JMLR, COLT, 2015 (inproceedings)

link (url) [BibTex]

link (url) [BibTex]


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Learning multiple collaborative tasks with a mixture of Interaction Primitives

Ewerton, M., Neumann, G., Lioutikov, R., Ben Amor, H., Peters, J., Maeda, G.

In IEEE International Conference on Robotics and Automation, pages: 1535-1542, ICRA, 2015 (inproceedings)

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Causal Inference in Neuroimaging

Casarsa de Azevedo, L.

Graduate Training Centre of Neuroscience, University of Tübingen, Germany, 2015 (mastersthesis)

[BibTex]

[BibTex]


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The effect of frowning on attention

Ibarra Chaoul, A.

Graduate Training Centre of Neuroscience, University of Tübingen, Germany, 2015 (mastersthesis)

[BibTex]

[BibTex]


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Subspace Alignement based Domain Adaptation for RCNN detector

Raj, A., V., N., Tuytelaars, T.

Proceedings of the 26th British Machine Vision Conference (BMVC 2015), pages: 166.1-166.11, (Editors: Xianghua Xie and Mark W. Jones and Gary K. L. Tam), 2015 (conference)

DOI [BibTex]

DOI [BibTex]


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Practical Probabilistic Programming with Monads

Ścibior, A., Ghahramani, Z., Gordon, A. D.

Proceedings of the 2015 ACM SIGPLAN Symposium on Haskell, pages: 165-176, Haskell ’15, ACM, 2015 (conference)

DOI [BibTex]

DOI [BibTex]


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The search for single exoplanet transits in the Kepler light curves

Foreman-Mackey, D., Hogg, D. W., Schölkopf, B.

IAU General Assembly, 22, pages: 2258352, 2015 (talk)

link (url) [BibTex]

link (url) [BibTex]


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Developing neural networks with neurons competing for survival

Peng, Z, Braun, DA

pages: 152-153, IEEE, Piscataway, NJ, USA, 5th Joint IEEE International Conference on Development and Learning and on Epigenetic Robotics (IEEE ICDL-EPIROB), August 2015 (conference)

Abstract
We study developmental growth in a feedforward neural network model inspired by the survival principle in nature. Each neuron has to select its incoming connections in a way that allow it to fire, as neurons that are not able to fire over a period of time degenerate and die. In order to survive, neurons have to find reoccurring patterns in the activity of the neurons in the preceding layer, because each neuron requires more than one active input at any one time to have enough activation for firing. The sensory input at the lowest layer therefore provides the maximum amount of activation that all neurons compete for. The whole network grows dynamically over time depending on how many patterns can be found and how many neurons can maintain themselves accordingly. We show in simulations that this naturally leads to abstractions in higher layers that emerge in a unsupervised fashion. When evaluating the network in a supervised learning paradigm, it is clear that our network is not competitive. What is interesting though is that this performance was achieved by neurons that simply struggle for survival and do not know about performance error. In contrast to most studies on neural evolution that rely on a network-wide fitness function, our goal was to show that learning behaviour can appear in a system without being driven by any specific utility function or reward signal.

DOI [BibTex]

DOI [BibTex]

2006


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Global Biclustering of Microarray Data

Wolf, T., Brors, B., Hofmann, T., Georgii, E.

In ICDMW 2006, pages: 125-129, (Editors: Tsumoto, S. , C. W. Clifton, N. Zhong, X. Wu, J. Liu, B. W. Wah, Y.-M. Cheung), IEEE Computer Society, Los Alamitos, CA, USA, Sixth IEEE International Conference on Data Mining, December 2006 (inproceedings)

Abstract
We consider the problem of simultaneously clustering genes and conditions of a gene expression data matrix. A bicluster is defined as a subset of genes that show similar behavior within a subset of conditions. Finding biclusters can be useful for revealing groups of genes involved in the same molecular process as well as groups of conditions where this process takes place. Previous work either deals with local, bicluster-based criteria or assumes a very specific structure of the data matrix (e.g. checkerboard or block-diagonal) [11]. In contrast, our goal is to find a set of flexibly arranged biclusters which is optimal in regard to a global objective function. As this is a NP-hard combinatorial problem, we describe several techniques to obtain approximate solutions. We benchmarked our approach successfully on the Alizadeh B-cell lymphoma data set [1].

Web DOI [BibTex]

2006

Web DOI [BibTex]


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Conformal Multi-Instance Kernels

Blaschko, M., Hofmann, T.

In NIPS 2006 Workshop on Learning to Compare Examples, pages: 1-6, NIPS Workshop on Learning to Compare Examples, December 2006 (inproceedings)

Abstract
In the multiple instance learning setting, each observation is a bag of feature vectors of which one or more vectors indicates membership in a class. The primary task is to identify if any vectors in the bag indicate class membership while ignoring vectors that do not. We describe here a kernel-based technique that defines a parametric family of kernels via conformal transformations and jointly learns a discriminant function over bags together with the optimal parameter settings of the kernel. Learning a conformal transformation effectively amounts to weighting regions in the feature space according to their contribution to classification accuracy; regions that are discriminative will be weighted higher than regions that are not. This allows the classifier to focus on regions contributing to classification accuracy while ignoring regions that correspond to vectors found both in positive and in negative bags. We show how parameters of this transformation can be learned for support vector machines by posing the problem as a multiple kernel learning problem. The resulting multiple instance classifier gives competitive accuracy for several multi-instance benchmark datasets from different domains.

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.

20th Annual Conference on Neural Information Processing Systems (NIPS), December 2006 (talk)

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. We show that 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.

PDF [BibTex]

PDF [BibTex]


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Ab-initio gene finding using machine learning

Schweikert, G., Zeller, G., Zien, A., Ong, C., de Bona, F., Sonnenburg, S., Phillips, P., Rätsch, G.

NIPS Workshop on New Problems and Methods in Computational Biology, December 2006 (talk)

Web [BibTex]

Web [BibTex]


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Reinforcement Learning by Reward-Weighted Regression

Peters, J.

NIPS Workshop: Towards a New Reinforcement Learning? , December 2006 (talk)

Web [BibTex]

Web [BibTex]


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Graph boosting for molecular QSAR analysis

Saigo, H., Kadowaki, T., Kudo, T., Tsuda, K.

NIPS Workshop on New Problems and Methods in Computational Biology, December 2006 (talk)

Abstract
We propose a new boosting method that systematically combines graph mining and mathematical programming-based machine learning. Informative and interpretable subgraph features are greedily found by a series of graph mining calls. Due to our mathematical programming formulation, subgraph features and pre-calculated real-valued features are seemlessly integrated. We tested our algorithm on a quantitative structure-activity relationship (QSAR) problem, which is basically a regression problem when given a set of chemical compounds. In benchmark experiments, the prediction accuracy of our method favorably compared with the best results reported on each dataset.

Web [BibTex]

Web [BibTex]


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Inferring Causal Directions by Evaluating the Complexity of Conditional Distributions

Sun, X., Janzing, D., Schölkopf, B.

NIPS Workshop on Causality and Feature Selection, December 2006 (talk)

Abstract
We propose a new approach to infer the causal structure that has generated the observed statistical dependences among n random variables. The idea is that the factorization of the joint measure of cause and effect into P(cause)P(effect|cause) leads typically to simpler conditionals than non-causal factorizations. To evaluate the complexity of the conditionals we have tried two methods. First, we have compared them to those which maximize the conditional entropy subject to the observed first and second moments since we consider the latter as the simplest conditionals. Second, we have fitted the data with conditional probability measures being exponents of functions in an RKHS space and defined the complexity by a Hilbert-space semi-norm. Such a complexity measure has several properties that are useful for our purpose. We describe some encouraging results with both methods applied to real-world data. Moreover, we have combined constraint-based approaches to causal discovery (i.e., methods using only information on conditional statistical dependences) with our method in order to distinguish between causal hypotheses which are equivalent with respect to the imposed independences. Furthermore, we compare the performance to Bayesian approaches to causal inference.

Web [BibTex]


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Information-theoretic Metric Learning

Davis, J., Kulis, B., Sra, S., Dhillon, I.

In NIPS 2006 Workshop on Learning to Compare Examples, pages: 1-5, NIPS Workshop on Learning to Compare Examples, December 2006 (inproceedings)

Abstract
We formulate the metric learning problem as that of minimizing the differential relative entropy between two multivariate Gaussians under constraints on the Mahalanobis distance function. Via a surprising equivalence, we show that this problem can be solved as a low-rank kernel learning problem. Specifically, we minimize the Burg divergence of a low-rank kernel to an input kernel, subject to pairwise distance constraints. Our approach has several advantages over existing methods. First, we present a natural information-theoretic formulation for the problem. Second, the algorithm utilizes the methods developed by Kulis et al. [6], which do not involve any eigenvector computation; in particular, the running time of our method is faster than most existing techniques. Third, the formulation offers insights into connections between metric learning and kernel learning.

PDF Web [BibTex]

PDF Web [BibTex]


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Pattern Mining in Frequent Dynamic Subgraphs

Borgwardt, KM., Kriegel, H-P., Wackersreuther, P.

In pages: 818-822, (Editors: Clifton, C.W.), IEEE Computer Society, Los Alamitos, CA, USA, Sixth International Conference on Data Mining (ICDM), December 2006 (inproceedings)

Abstract
Graph-structured data is becoming increasingly abundant in many application domains. Graph mining aims at finding interesting patterns within this data that represent novel knowledge. While current data mining deals with static graphs that do not change over time, coming years will see the advent of an increasing number of time series of graphs. In this article, we investigate how pattern mining on static graphs can be extended to time series of graphs. In particular, we are considering dynamic graphs with edge insertions and edge deletions over time. We define frequency in this setting and provide algorithmic solutions for finding frequent dynamic subgraph patterns. Existing subgraph mining algorithms can be easily integrated into our framework to make them handle dynamic graphs. Experimental results on real-world data confirm the practical feasibility of our approach.

Web DOI [BibTex]

Web DOI [BibTex]


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Learning Optimal EEG Features Across Time, Frequency and Space

Farquhar, J., Hill, J., Schölkopf, B.

NIPS Workshop on Current Trends in Brain-Computer Interfacing, December 2006 (talk)

PDF Web [BibTex]

PDF Web [BibTex]


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Semi-Supervised Learning

Zien, A.

Advanced Methods in Sequence Analysis Lectures, November 2006 (talk)

Web [BibTex]

Web [BibTex]


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3DString: a feature string kernel for 3D object classification on voxelized data

Assfalg, J., Borgwardt, KM., Kriegel, H-P.

In pages: 198-207, (Editors: Yu, P.S. , V.J. Tsotras, E.A. Fox, B. Liu), ACM Press, New York, NY, USA, 15th ACM International Conference on Information and Knowledge Management (CIKM), November 2006 (inproceedings)

Abstract
Classification of 3D objects remains an important task in many areas of data management such as engineering, medicine or biology. As a common preprocessing step in current approaches to classification of voxelized 3D objects, voxel representations are transformed into a feature vector description.In this article, we introduce an approach of transforming 3D objects into feature strings which represent the distribution of voxels over the voxel grid. Attractively, this feature string extraction can be performed in linear runtime with respect to the number of voxels. We define a similarity measure on these feature strings that counts common k-mers in two input strings, which is referred to as the spectrum kernel in the field of kernel methods. We prove that on our feature strings, this similarity measure can be computed in time linear to the number of different characters in these strings. This linear runtime behavior makes our kernel attractive even for large datasets that occur in many application domains. Furthermore, we explain that our similarity measure induces a metric which allows to combine it with an M-tree for handling of large volumes of data. Classification experiments on two published benchmark datasets show that our novel approach is competitive with the best state-of-the-art methods for 3D object classification.

DOI [BibTex]

DOI [BibTex]


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Adapting Spatial Filter Methods for Nonstationary BCIs

Tomioka, R., Hill, J., Blankertz, B., Aihara, K.

In IBIS 2006, pages: 65-70, 2006 Workshop on Information-Based Induction Sciences, November 2006 (inproceedings)

Abstract
A major challenge in applying machine learning methods to Brain-Computer Interfaces (BCIs) is to overcome the possible nonstationarity in the data from the datablock the method is trained on and that the method is applied to. Assuming the joint distributions of the whitened signal and the class label to be identical in two blocks, where the whitening is done in each block independently, we propose a simple adaptation formula that is applicable to a broad class of spatial filtering methods including ICA, CSP, and logistic regression classifiers. We characterize the class of linear transformations for which the above assumption holds. Experimental results on 60 BCI datasets show improved classification accuracy compared to (a) fixed spatial filter approach (no adaptation) and (b) fixed spatial pattern approach (proposed by Hill et al., 2006 [1]).

PDF [BibTex]

PDF [BibTex]


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A Machine Learning Approach for Determining the PET Attenuation Map from Magnetic Resonance Images

Hofmann, M., Steinke, F., Judenhofer, M., Claussen, C., Schölkopf, B., Pichler, B.

IEEE Medical Imaging Conference, November 2006 (talk)

Abstract
A promising new combination in multimodality imaging is MR-PET, where the high soft tissue contrast of Magnetic Resonance Imaging (MRI) and the functional information of Positron Emission Tomography (PET) are combined. Although many technical problems have recently been solved, it is still an open problem to determine the attenuation map from the available MR scan, as the MR intensities are not directly related to the attenuation values. One standard approach is an atlas registration where the atlas MR image is aligned with the patient MR thus also yielding an attenuation image for the patient. We also propose another approach, which to our knowledge has not been tried before: Using Support Vector Machines we predict the attenuation value directly from the local image information. We train this well-established machine learning algorithm using small image patches. Although both approaches sometimes yielded acceptable results, they also showed their specific shortcomings: The registration often fails with large deformations whereas the prediction approach is problematic when the local image structure is not characteristic enough. However, the failures often do not coincide and integration of both information sources is promising. We therefore developed a combination method extending Support Vector Machines to use not only local image structure but also atlas registered coordinates. We demonstrate the strength of this combination approach on a number of examples.

[BibTex]

[BibTex]


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Semi-Supervised Support Vector Machines and Application to Spam Filtering

Zien, A.

ECML Discovery Challenge Workshop, September 2006 (talk)

Abstract
After introducing the semi-supervised support vector machine (aka TSVM for "transductive SVM"), a few popular training strategies are briefly presented. Then the assumptions underlying semi-supervised learning are reviewed. Finally, two modern TSVM optimization techniques are applied to the spam filtering data sets of the workshop; it is shown that they can achieve excellent results, if the problem of the data being non-iid can be handled properly.

PDF Web [BibTex]


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Extraction of visual features from natural video data using Slow Feature Analysis

Nickisch, H.

Biologische Kybernetik, Technische Universität Berlin, Berlin, Germany, September 2006 (diplomathesis)

Abstract
Das Forschungsprojekt NeuRoBot hat das un{\"u}berwachte Erlernen einer neuronal inspirierten Steuerungsarchitektur zum Ziel, und zwar unter den Randbedingungen biologischer Plausibilit{\"a}t und der Benutzung einer Kamera als einzigen Sensor. Visuelle Merkmale, die ein angemessenes Abbild der Umgebung liefern, sind unerl{\"a}sslich, um das Ziel kollisionsfreier Navigation zu erreichen. Zeitliche Koh{\"a}renz ist ein neues Lernprinzip, das in der Lage ist, Erkenntnisse aus der Biologie des Sehens zu reproduzieren. Es wird durch die Beobachtung motiviert, dass die “Sensoren” der Retina auf deutlich k{\"u}rzeren Zeitskalen variieren als eine abstrakte Beschreibung. Zeitliche Langsamkeitsanalyse l{\"o}st das Problem, indem sie zeitlich langsam ver{\"a}nderliche Signale aus schnell ver{\"a}nderlichen Eingabesignalen extrahiert. Eine Verallgemeinerung auf Signale, die nichtlinear von den Eingaben abh{\"a}ngen, ist durch die Anwendung des Kernel-Tricks m{\"o}glich. Das einzig benutzte Vorwissen ist die zeitliche Glattheit der gewonnenen Signale. In der vorliegenden Diplomarbeit wird Langsamkeitsanalyse auf Bildausschnitte von Videos einer Roboterkamera und einer Simulationsumgebung angewendet. Zuallererst werden mittels Parameterexploration und Kreuzvalidierung die langsamst m{\"o}glichen Funktionen bestimmt. Anschließend werden die Merkmalsfunktionen analysiert und einige Ansatzpunkte f{\"u}r ihre Interpretation angegeben. Aufgrund der sehr großen Datens{\"a}tze und der umfangreichen Berechnungen behandelt ein Großteil dieser Arbeit auch Aufwandsbetrachtungen und Fragen der effizienten Berechnung. Kantendetektoren in verschiedenen Phasen und mit haupts{\"a}chlich horizontaler Orientierung stellen die wichtigsten aus der Analyse hervorgehenden Funktionen dar. Eine Anwendung auf konkrete Navigationsaufgaben des Roboters konnte bisher nicht erreicht werden. Eine visuelle Interpretation der erlernten Merkmale ist jedoch durchaus gegeben.

PDF [BibTex]

PDF [BibTex]


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A Linear Programming Approach for Molecular QSAR analysis

Saigo, H., Kadowaki, T., Tsuda, K.

In MLG 2006, pages: 85-96, (Editors: Gärtner, T. , G. C. Garriga, T. Meinl), International Workshop on Mining and Learning with Graphs, September 2006, Best Paper Award (inproceedings)

Abstract
Small molecules in chemistry can be represented as graphs. In a quantitative structure-activity relationship (QSAR) analysis, the central task is to find a regression function that predicts the activity of the molecule in high accuracy. Setting a QSAR as a primal target, we propose a new linear programming approach to the graph-based regression problem. Our method extends the graph classification algorithm by Kudo et al. (NIPS 2004), which is a combination of boosting and graph mining. Instead of sequential multiplicative updates, we employ the linear programming boosting (LP) for regression. The LP approach allows to include inequality constraints for the parameter vector, which turns out to be particularly useful in QSAR tasks where activity values are sometimes unavailable. Furthermore, the efficiency is improved significantly by employing multiple pricing.

PDF PDF [BibTex]

PDF PDF [BibTex]


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Incremental Aspect Models for Mining Document Streams

Surendran, A., Sra, S.

In PKDD 2006, pages: 633-640, (Editors: Fürnkranz, J. , T. Scheffer, M. Spiliopoulou), Springer, Berlin, Germany, 10th European Conference on Principles and Practice of Knowledge Discovery in Databases, September 2006 (inproceedings)

Abstract
In this paper we introduce a novel approach for incrementally building aspect models, and use it to dynamically discover underlying themes from document streams. Using the new approach we present an application which we call “query-line tracking” i.e., we automatically discover and summarize different themes or stories that appear over time, and that relate to a particular query. We present evaluation on news corpora to demonstrate the strength of our method for both query-line tracking, online indexing and clustering.

Web DOI [BibTex]

Web DOI [BibTex]


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PALMA: Perfect Alignments using Large Margin Algorithms

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

In GCB 2006, pages: 104-113, (Editors: Huson, D. , O. Kohlbacher, A. Lupas, K. Nieselt, A. Zell), Gesellschaft für Informatik, Bonn, Germany, German Conference on Bioinformatics, September 2006 (inproceedings)

Abstract
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. We present a novel approach based on large margin learning that combines kernel based splice 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 the true alignment scores higher than all other alignments. In an experimental study on the alignments of mRNAs containing artificially generated micro-exons, we show that our algorithm drastically outperforms all other methods: It perfectly aligns all 4358 sequences on an hold-out set, while the best other method misaligns at least 90 of them. Moreover, our algorithm is very robust against noise in the query sequence: when deleting, inserting, or mutating up to 50% of the query sequence, it still aligns 95% of all sequences correctly, while other methods achieve less than 36% accuracy. For datasets, additional results and a stand-alone alignment tool see http://www.fml.mpg.de/raetsch/projects/palma.

PDF Web [BibTex]

PDF Web [BibTex]


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Graph Based Semi-Supervised Learning with Sharper Edges

Shin, H., Hill, N., Rätsch, G.

In ECML 2006, pages: 401-412, (Editors: Fürnkranz, J. , T. Scheffer, M. Spiliopoulou), Springer, Berlin, Germany, 17th European Conference on Machine Learning (ECML), September 2006 (inproceedings)

Abstract
In many graph-based semi-supervised learning algorithms, edge weights are assumed to be fixed and determined by the data points‘ (often symmetric)relationships in input space, without considering directionality. However, relationships may be more informative in one direction (e.g. from labelled to unlabelled) than in the reverse direction, and some relationships (e.g. strong weights between oppositely labelled points) are unhelpful in either direction. Undesirable edges may reduce the amount of influence an informative point can propagate to its neighbours -- the point and its outgoing edges have been ``blunted.‘‘ We present an approach to ``sharpening‘‘ in which weights are adjusted to meet an optimization criterion wherever they are directed towards labelled points. This principle can be applied to a wide variety of algorithms. In the current paper, we present one ad hoc solution satisfying the principle, in order to show that it can improve performance on a number of publicly available benchmark data sets.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Robust MEG Source Localization of Event Related Potentials: Identifying Relevant Sources by Non-Gaussianity

Breun, P., Grosse-Wentrup, M., Utschick, W., Buss, M.

In DAGM 2006, pages: 394-403, (Editors: Franke, K. , K.-R. Müller, B. Nickolay, R. Schäfer), Springer, Berlin, Germany, 28th Annual Symposium of the German Association for Pattern Recognition, September 2006 (inproceedings)

Abstract
Independent Component Analysis (ICA) is a frequently used preprocessing step in source localization of MEG and EEG data. By decomposing the measured data into maximally independent components (ICs), estimates of the time course and the topographies of neural sources are obtained. In this paper, we show that when using estimated source topographies for localization, correlations between neural sources introduce an error into the obtained source locations. This error can be avoided by reprojecting ICs onto the observation space, but requires the identification of relevant ICs. For Event Related Potentials (ERPs), we identify relevant ICs by estimating their non-Gaussianity. The efficacy of the approach is tested on auditory evoked potentials (AEPs) recorded by MEG. It is shown that ten trials are sufficient for reconstructing all important characteristics of the AEP, and source localization of the reconstructed ERP yields the same focus of activity as the average of 250 trials.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Finite-Horizon Optimal State-Feedback Control of Nonlinear Stochastic Systems Based on a Minimum Principle

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

In MFI 2006, pages: 371-376, (Editors: Hanebeck, U. D.), IEEE Service Center, Piscataway, NJ, USA, 6th IEEE International Conference on Multisensor Fusion and Integration, September 2006 (inproceedings)

Abstract
In this paper, an approach to the finite-horizon optimal state-feedback control problem of nonlinear, stochastic, discrete-time systems is presented. Starting from the dynamic programming equation, the value function will be approximated by means of Taylor series expansion up to second-order derivatives. Moreover, the problem will be reformulated, such that a minimum principle can be applied to the stochastic problem. Employing this minimum principle, the optimal control problem can be rewritten as a two-point boundary-value problem to be solved at each time step of a shrinking horizon. To avoid numerical problems, the two-point boundary-value problem will be solved by means of a continuation method. Thus, the curse of dimensionality of dynamic programming is avoided, and good candidates for the optimal state-feedback controls are obtained. The proposed approach will be evaluated by means of a scalar example system.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Uniform Convergence of Adaptive Graph-Based Regularization

Hein, M.

In COLT 2006, pages: 50-64, (Editors: Lugosi, G. , H.-U. Simon), Springer, Berlin, Germany, 19th Annual Conference on Learning Theory, September 2006 (inproceedings)

Abstract
The regularization functional induced by the graph Laplacian of a random neighborhood graph based on the data is adaptive in two ways. First it adapts to an underlying manifold structure and second to the density of the data-generating probability measure. We identify in this paper the limit of the regularizer and show uniform convergence over the space of Hoelder functions. As an intermediate step we derive upper bounds on the covering numbers of Hoelder functions on compact Riemannian manifolds, which are of independent interest for the theoretical analysis of manifold-based learning methods.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Efficient Large Scale Linear Programming Support Vector Machines

Sra, S.

In ECML 2006, pages: 767-774, (Editors: Fürnkranz, J. , T. Scheffer, M. Spiliopoulou), Springer, Berlin, Germany, 17th European Conference on Machine Learning, September 2006 (inproceedings)

Abstract
This paper presents a decomposition method for efficiently constructing ℓ1-norm Support Vector Machines (SVMs). The decomposition algorithm introduced in this paper possesses many desirable properties. For example, it is provably convergent, scales well to large datasets, is easy to implement, and can be extended to handle support vector regression and other SVM variants. We demonstrate the efficiency of our algorithm by training on (dense) synthetic datasets of sizes up to 20 million points (in ℝ32). The results show our algorithm to be several orders of magnitude faster than a previously published method for the same task. We also present experimental results on real data sets—our method is seen to be not only very fast, but also highly competitive against the leading SVM implementations.

Web DOI [BibTex]

Web DOI [BibTex]


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Regularised CSP for Sensor Selection in BCI

Farquhar, J., Hill, N., Lal, T., Schölkopf, B.

In Proceedings of the 3rd International Brain-Computer Interface Workshop and Training Course 2006, pages: 14-15, (Editors: GR Müller-Putz and C Brunner and R Leeb and R Scherer and A Schlögl and S Wriessnegger and G Pfurtscheller), Verlag der Technischen Universität Graz, Graz, Austria, 3rd International Brain-Computer Interface Workshop and Training Course, September 2006 (inproceedings)

Abstract
The Common Spatial Pattern (CSP) algorithm is a highly successful method for efficiently calculating spatial filters for brain signal classification. Spatial filtering can improve classification performance considerably, but demands that a large number of electrodes be mounted, which is inconvenient in day-to-day BCI usage. The CSP algorithm is also known for its tendency to overfit, i.e. to learn the noise in the training set rather than the signal. Both problems motivate an approach in which spatial filters are sparsified. We briefly sketch a reformulation of the problem which allows us to do this, using 1-norm regularisation. Focusing on the electrode selection issue, we present preliminary results on EEG data sets that suggest that effective spatial filters may be computed with as few as 10--20 electrodes, hence offering the potential to simplify the practical realisation of BCI systems significantly.

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PDF PDF [BibTex]


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Time-Dependent Demixing of Task-Relevant EEG Signals

Hill, N., Farquhar, J., Lal, T., Schölkopf, B.

In Proceedings of the 3rd International Brain-Computer Interface Workshop and Training Course 2006, pages: 20-21, (Editors: GR Müller-Putz and C Brunner and R Leeb and R Scherer and A Schlögl and S Wriessnegger and G Pfurtscheller), Verlag der Technischen Universität Graz, Graz, Austria, 3rd International Brain-Computer Interface Workshop and Training Course, September 2006 (inproceedings)

Abstract
Given a spatial filtering algorithm that has allowed us to identify task-relevant EEG sources, we present a simple approach for monitoring the activity of these sources while remaining relatively robust to changes in other (task-irrelevant) brain activity. The idea is to keep spatial *patterns* fixed rather than spatial filters, when transferring from training to test sessions or from one time window to another. We show that a fixed spatial pattern (FSP) approach, using a moving-window estimate of signal covariances, can be more robust to non-stationarity than a fixed spatial filter (FSF) approach.

PDF PDF [BibTex]

PDF PDF [BibTex]


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Inferential Structure Determination: Probabilistic determination and validation of NMR structures

Habeck, M.

Gordon Research Conference on Computational Aspects of Biomolecular NMR, September 2006 (talk)

Web [BibTex]

Web [BibTex]


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Transductive Gaussian Process Regression with Automatic Model Selection

Le, Q., Smola, A., Gärtner, T., Altun, Y.

In Machine Learning: ECML 2006, pages: 306-317, (Editors: Fürnkranz, J. , T. Scheffer, M. Spiliopoulou), Springer, Berlin, Germany, 17th European Conference on Machine Learning (ECML), September 2006 (inproceedings)

Abstract
n contrast to the standard inductive inference setting of predictive machine learning, in real world learning problems often the test instances are already available at training time. Transductive inference tries to improve the predictive accuracy of learning algorithms by making use of the information contained in these test instances. Although this description of transductive inference applies to predictive learning problems in general, most transductive approaches consider the case of classification only. In this paper we introduce a transductive variant of Gaussian process regression with automatic model selection, based on approximate moment matching between training and test data. Empirical results show the feasibility and competitiveness of this approach.

Web DOI [BibTex]

Web DOI [BibTex]