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2012


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Hilbert space embedding for Dirichlet Process mixtures

Muandet, K.

In NIPS Workshop on confluence between kernel methods and graphical models, 2012 (inproceedings)

arXiv [BibTex]

2012

arXiv [BibTex]


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Causal discovery with scale-mixture model for spatiotemporal variance dependencies

Chen, Z., Zhang, K., Chan, L.

In Advances in Neural Information Processing Systems 25, pages: 1736-1744, (Editors: P Bartlett and FCN Pereira and CJC. Burges and L Bottou and KQ Weinberger), Curran Associates Inc., 26th Annual Conference on Neural Information Processing Systems (NIPS), 2012 (inproceedings)

PDF PDF [BibTex]

PDF PDF [BibTex]


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Bridging Offline and Online Social Graph Dynamics

Gomez Rodriguez, M., Rogati, M.

In 21st ACM Conference on Information and Knowledge Management, pages: 2447-2450, (Editors: Chen, X., Lebanon, G., Wang, H. and Zaki, M. J.), ACM, CIKM, 2012 (inproceedings)

PDF DOI [BibTex]

PDF DOI [BibTex]


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A new metric on the manifold of kernel matrices with application to matrix geometric means

Sra, S.

In Advances in Neural Information Processing Systems 25, pages: 144-152, (Editors: P Bartlett and FCN Pereira and CJC. Burges and L Bottou and KQ Weinberger), Curran Associates Inc., 26th Annual Conference on Neural Information Processing Systems (NIPS), 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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Conditional mean embeddings as regressors

Grünewälder, S., Lever, G., Baldassarre, L., Patterson, S., Gretton, A., Pontil, M.

In Proceedings of the 29th International Conference on Machine Learning, pages: 1823-1830, (Editors: J Langford and J Pineau), Omnipress, New York, NY, USA, ICML, 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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Shortest path distance in random k-nearest neighbor graphs

Alamgir, M., von Luxburg, U.

In Proceedings of the 29th International Conference on Machine Learning, International Machine Learning Society, International Conference on Machine Learning (ICML), 2012 (inproceedings)

PDF Web [BibTex]

PDF Web [BibTex]


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Toward Fast Policy Search for Learning Legged Locomotion

Deisenroth, M., Calandra, R., Seyfarth, A., Peters, J.

In IEEE/RSJ International Conference on Intelligent Robots and Systems , pages: 1787-1792, IROS, 2012 (inproceedings)

PDF DOI [BibTex]

PDF DOI [BibTex]


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Robot Skill Learning

Peters, J., Kober, J., Mülling, K., Nguyen-Tuong, D., Kroemer, O.

In 20th European Conference on Artificial Intelligence , pages: 40-45, ECAI, 2012 (inproceedings)

PDF DOI [BibTex]

PDF DOI [BibTex]


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Towards a learning-theoretic analysis of spike-timing dependent plasticity

Balduzzi, D., Besserve, M.

In Advances in Neural Information Processing Systems 25, pages: 2465-2473, (Editors: P Bartlett and FCN Pereira and CJC. Burges and L Bottou and KQ Weinberger), Curran Associates Inc., 26th Annual Conference on Neural Information Processing Systems (NIPS), 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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Recording and Playback of Camera Shake: Benchmarking Blind Deconvolution with a Real-World Database

Köhler, R., Hirsch, M., Mohler, B., Schölkopf, B., Harmeling, S.

In Computer Vision - ECCV 2012, LNCS Vol. 7578, pages: 27-40, (Editors: A. Fitzgibbon, S. Lazebnik, P. Perona, Y. Sato, and C. Schmid), Springer, Berlin, Germany, 12th European Conference on Computer Vision, ECCV , 2012 (inproceedings)

Abstract
Motion blur due to camera shake is one of the predominant sources of degradation in handheld photography. Single image blind deconvolution (BD) or motion deblurring aims at restoring a sharp latent image from the blurred recorded picture without knowing the camera motion that took place during the exposure. BD is a long-standing problem, but has attracted much attention recently, cumulating in several algorithms able to restore photos degraded by real camera motion in high quality. In this paper, we present a benchmark dataset for motion deblurring that allows quantitative performance evaluation and comparison of recent approaches featuring non-uniform blur models. To this end, we record and analyse real camera motion, which is played back on a robot platform such that we can record a sequence of sharp images sampling the six dimensional camera motion trajectory. The goal of deblurring is to recover one of these sharp images, and our dataset contains all information to assess how closely various algorithms approximate that goal. In a comprehensive comparison, we evaluate state-of-the-art single image BD algorithms incorporating uniform and non-uniform blur models.

PDF DOI [BibTex]

PDF DOI [BibTex]


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Higher-Order Tensors in Diffusion MRI

Schultz, T., Fuster, A., Ghosh, A., Deriche, R., Florack, L., Lim, L.

In Visualization and Processing of Tensors and Higher Order Descriptors for Multi-Valued Data, (Editors: Westin, C. F., Vilanova, A. and Burgeth, B.), Springer, 2012 (inbook) Accepted

[BibTex]

[BibTex]


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Towards identifying and validating cognitive correlates in a passive Brain-Computer Interface for detecting Loss of Control

Zander, TO., Pape, AA.

In Proceedings of the 34th Annual International Conference of the IEEE Engineering in Medicine and Biology Society, IEEE, EMBC, 2012 (inproceedings)

[BibTex]

[BibTex]


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Neural correlates of workload and puzzlement during loss of control

Pape, AA., Gerjets, P., Zander, TO.

In Meeting of the EARLI SIG 22 Neuroscience and Education, 2012 (inproceedings)

[BibTex]

[BibTex]


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Hypothesis testing using pairwise distances and associated kernels

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

In Proceedings of the 29th International Conference on Machine Learning, pages: 1111-1118, (Editors: J Langford and J Pineau), Omnipress, New York, NY, USA, ICML, 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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Efficient Training of Graph-Regularized Multitask SVMs

Widmer, C., Kloft, M., Görnitz, N., Rätsch, G.

In Machine Learning and Knowledge Discovery in Databases - European Conference, ECML/PKDD 2012, LNCS Vol. 7523, pages: 633-647, (Editors: PA Flach and T De Bie and N Cristianini), Springer, Berlin, Germany, ECML, 2012 (inproceedings)

DOI [BibTex]

DOI [BibTex]


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Hilbert Space Embeddings of POMDPs

Nishiyama, Y., Boularias, A., Gretton, A., Fukumizu, K.

In Conference on Uncertainty in Artificial Intelligence (UAI), 2012 (inproceedings)

PDF Web [BibTex]

PDF Web [BibTex]


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Learning Throwing and Catching Skills

Kober, J., Mülling, K., Peters, J.

In IEEE/RSJ International Conference on Intelligent Robots and Systems , pages: 5167-5168, IROS, 2012 (inproceedings)

PDF DOI [BibTex]

PDF DOI [BibTex]


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Maximally Informative Interaction Learning for Scene Exploration

van Hoof, H., Kroemer, O., Ben Amor, H., Peters, J.

In IEEE/RSJ International Conference on Intelligent Robots and Systems, pages: 5152-5158, IROS, 2012 (inproceedings)

PDF DOI [BibTex]

PDF DOI [BibTex]


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Investigating the Neural Basis of Brain-Computer Interface (BCI)-based Stroke Rehabilitation

Meyer, T., Peters, J., Zander, T., Brötz, D., Soekadar, S., Schölkopf, B., Grosse-Wentrup, M.

In International Conference on NeuroRehabilitation (ICNR) , pages: 617-621, (Editors: JL Pons, D Torricelli, and M Pajaro), Springer, Berlin, Germany, ICNR, 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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A Nonparametric Conjugate Prior Distribution for the Maximizing Argument of a Noisy Function

Ortega, P., Grau-Moya, J., Genewein, T., Balduzzi, D., Braun, D.

In Advances in Neural Information Processing Systems 25, pages: 3014-3022, (Editors: P Bartlett and FCN Pereira and CJC. Burges and L Bottou and KQ Weinberger), Curran Associates Inc., 26th Annual Conference on Neural Information Processing Systems (NIPS), 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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Algorithms for Learning Markov Field Policies

Boularias, A., Kroemer, O., Peters, J.

In Advances in Neural Information Processing Systems 25, pages: 2186-2194, (Editors: P Bartlett and FCN Pereira and CJC. Burges and L Bottou and KQ Weinberger), Curran Associates Inc., 26th Annual Conference on Neural Information Processing Systems (NIPS), 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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Semi-Supervised Domain Adaptation with Copulas

Lopez-Paz, D., Hernandez-Lobato, J., Schölkopf, B.

In Advances in Neural Information Processing Systems 25, pages: 674-682, (Editors: P Bartlett, FCN Pereira, CJC. Burges, L Bottou, and KQ Weinberger), Curran Associates Inc., 26th Annual Conference on Neural Information Processing Systems (NIPS), 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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Gradient Weights help Nonparametric Regressors

Kpotufe, S., Boularias, A.

In Advances in Neural Information Processing Systems 25, pages: 2870-2878, (Editors: P Bartlett and FCN Pereira and CJC. Burges and L Bottou and KQ Weinberger), 26th Annual Conference on Neural Information Processing Systems (NIPS), 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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A Blind Deconvolution Approach for Pseudo CT Prediction from MR Image Pairs

Hirsch, M., Hofmann, M., Mantlik, F., Pichler, B., Schölkopf, B., Habeck, M.

In 19th IEEE International Conference on Image Processing (ICIP) , pages: 2953 -2956, IEEE, ICIP, 2012 (inproceedings)

DOI [BibTex]

DOI [BibTex]


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A mixed model approach for joint genetic analysis of alternatively spliced transcript isoforms using RNA-Seq data

Rakitsch, B., Lippert, C., Topa, H., Borgwardt, KM., Honkela, A., Stegle, O.

In 2012 (inproceedings) Submitted

Web [BibTex]

Web [BibTex]


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Evaluation of marginal likelihoods via the density of states

Habeck, M.

In Proceedings of the Fifteenth International Conference on Artificial Intelligence and Statistics (AISTATS 2012) , 22, pages: 486-494, (Editors: N Lawrence and M Girolami), JMLR: W&CP 22, AISTATS, 2012 (inproceedings)

Abstract
Bayesian model comparison involves the evaluation of the marginal likelihood, the expectation of the likelihood under the prior distribution. Typically, this high-dimensional integral over all model parameters is approximated using Markov chain Monte Carlo methods. Thermodynamic integration is a popular method to estimate the marginal likelihood by using samples from annealed posteriors. Here we show that there exists a robust and flexible alternative. The new method estimates the density of states, which counts the number of states associated with a particular value of the likelihood. If the density of states is known, computation of the marginal likelihood reduces to a one- dimensional integral. We outline a maximum likelihood procedure to estimate the density of states from annealed posterior samples. We apply our method to various likelihoods and show that it is superior to thermodynamic integration in that it is more flexible with regard to the annealing schedule and the family of bridging distributions. Finally, we discuss the relation of our method with Skilling's nested sampling.

PDF [BibTex]

PDF [BibTex]


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Distributed multisensory signals acquisition and analysis in dyadic interactions

Tawari, A., Tran, C., Doshi, A., Zander, TO.

In Proceedings of the 2012 ACM Annual Conference on Human Factors in Computing Systems Extended Abstracts, pages: 2261-2266, (Editors: JA Konstan and EH Chi and K Höök), ACM, New York, NY, USA, CHI, 2012 (inproceedings)

DOI [BibTex]

DOI [BibTex]


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Measuring Cognitive Load by means of EEG-data - how detailed is the picture we can get?

Scharinger, C., Cierniak, G., Walter, C., Zander, TO., Gerjets, P.

In Meeting of the EARLI SIG 22 Neuroscience and Education, 2012 (inproceedings)

[BibTex]

[BibTex]


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Optimal kernel choice for large-scale two-sample tests

Gretton, A., Sriperumbudur, B., Sejdinovic, D., Strathmann, H., Balakrishnan, S., Pontil, M., Fukumizu, K.

In Advances in Neural Information Processing Systems 25, pages: 1214-1222, (Editors: P Bartlett and FCN Pereira and CJC. Burges and L Bottou and KQ Weinberger), Curran Associates Inc., 26th Annual Conference on Neural Information Processing Systems (NIPS), 2012 (inproceedings)

PDF [BibTex]

PDF [BibTex]


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On the Hardness of Domain Adaptation and the Utility of Unlabeled Target Samples

Ben-David, S., Urner, R.

In Algorithmic Learning Theory - 23rd International Conference, 7568, pages: 139-153, Lecture Notes in Computer Science, (Editors: Bshouty, NH. and Stoltz, G and Vayatis, N and Zeugmann, T), Springer Berlin Heidelberg, ALT, 2012 (inproceedings)

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Domain Adaptation–Can Quantity compensate for Quality?

Ben-David, S., Shalev-Shwartz, S., Urner, R.

In International Symposium on Artificial Intelligence and Mathematics, ISAIM, 2012 (inproceedings)

link (url) [BibTex]

link (url) [BibTex]


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Learning from Weak Teachers

Urner, R., Ben-David, S., Shamir, O.

In Proceedings of the 15th International Conference on Artificial Intelligence and Statistics, 22, pages: 1252-1260, (Editors: Lawrence, N. and Girolami, M.), JMLR, AISTATS, 2012 (inproceedings)

link (url) [BibTex]

link (url) [BibTex]


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Adaptive Coding of Actions and Observations

Ortega, PA, Braun, DA

pages: 1-4, NIPS Workshop on Information in Perception and Action, December 2012 (conference)

Abstract
The application of expected utility theory to construct adaptive agents is both computationally intractable and statistically questionable. To overcome these difficulties, agents need the ability to delay the choice of the optimal policy to a later stage when they have learned more about the environment. How should agents do this optimally? An information-theoretic answer to this question is given by the Bayesian control rule—the solution to the adaptive coding problem when there are not only observations but also actions. This paper reviews the central ideas behind the Bayesian control rule.

link (url) [BibTex]

link (url) [BibTex]


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Free Energy and the Generalized Optimality Equations for Sequential Decision Making

Ortega, PA, Braun, DA

pages: 1-10, 10th European Workshop on Reinforcement Learning (EWRL), July 2012 (conference)

Abstract
The free energy functional has recently been proposed as a variational principle for bounded rational decision-making, since it instantiates a natural trade-off between utility gains and information processing costs that can be axiomatically derived. Here we apply the free energy principle to general decision trees that include both adversarial and stochastic environments. We derive generalized sequential optimality equations that not only include the Bellman optimality equations as a limit case, but also lead to well-known decision-rules such as Expectimax, Minimax and Expectiminimax. We show how these decision-rules can be derived from a single free energy principle that assigns a resource parameter to each node in the decision tree. These resource parameters express a concrete computational cost that can be measured as the amount of samples that are needed from the distribution that belongs to each node. The free energy principle therefore provides the normative basis for generalized optimality equations that account for both adversarial and stochastic environments.

link (url) [BibTex]

link (url) [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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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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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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Prediction of Protein Function from Networks

Shin, H., Tsuda, K.

In Semi-Supervised Learning, pages: 361-376, Adaptive Computation and Machine Learning, (Editors: Chapelle, O. , B. Schölkopf, A. Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
In computational biology, it is common to represent domain knowledge using graphs. Frequently there exist multiple graphs for the same set of nodes, representing information from different sources, and no single graph is sufficient to predict class labels of unlabelled nodes reliably. One way to enhance reliability is to integrate multiple graphs, since individual graphs are partly independent and partly complementary to each other for prediction. In this chapter, we describe an algorithm to assign weights to multiple graphs within graph-based semi-supervised learning. Both predicting class labels and searching for weights for combining multiple graphs are formulated into one convex optimization problem. The graph-combining method is applied to functional class prediction of yeast proteins.When compared with individual graphs, the combined graph with optimized weights performs significantly better than any single graph.When compared with the semidefinite programming-based support vector machine (SDP/SVM), it shows comparable accuracy in a remarkably short time. Compared with a combined graph with equal-valued weights, our method could select important graphs without loss of accuracy, which implies the desirable property of integration with selectivity.

Web [BibTex]

Web [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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Discrete Regularization

Zhou, D., Schölkopf, B.

In Semi-supervised Learning, pages: 237-250, Adaptive computation and machine learning, (Editors: O Chapelle and B Schölkopf and A Zien), MIT Press, Cambridge, MA, USA, November 2006 (inbook)

Abstract
Many real-world machine learning problems are situated on finite discrete sets, including dimensionality reduction, clustering, and transductive inference. A variety of approaches for learning from finite sets has been proposed from different motivations and for different problems. In most of those approaches, a finite set is modeled as a graph, in which the edges encode pairwise relationships among the objects in the set. Consequently many concepts and methods from graph theory are adopted. In particular, the graph Laplacian is widely used. In this chapter we present a systemic framework for learning from a finite set represented as a graph. We develop discrete analogues of a number of differential operators, and then construct a discrete analogue of classical regularization theory based on those discrete differential operators. The graph Laplacian based approaches are special cases of this general discrete regularization framework. An important thing implied in this framework is that we have a wide choices of regularization on graph in addition to the widely-used graph Laplacian based one.

PDF Web [BibTex]

PDF Web [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.

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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.

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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]