Header logo is ei


2018


no image
Temporal Difference Models: Model-Free Deep RL for Model-Based Control

Pong*, V., Gu*, S., Dalal, M., Levine, S.

6th International Conference on Learning Representations (ICLR), May 2018, *equal contribution (conference)

link (url) Project Page [BibTex]

2018

link (url) Project Page [BibTex]


no image
Wasserstein Auto-Encoders: Latent Dimensionality and Random Encoders

Rubenstein, P. K., Schölkopf, B., Tolstikhin, I.

Workshop at the 6th International Conference on Learning Representations (ICLR), May 2018 (conference)

link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


no image
Leave no Trace: Learning to Reset for Safe and Autonomous Reinforcement Learning

Eysenbach, B., Gu, S., Ibarz, J., Levine, S.

6th International Conference on Learning Representations (ICLR), May 2018 (conference)

Videos link (url) Project Page [BibTex]

Videos link (url) Project Page [BibTex]


Tempered Adversarial Networks
Tempered Adversarial Networks

Sajjadi, M. S. M., Parascandolo, G., Mehrjou, A., Schölkopf, B.

Workshop at the 6th International Conference on Learning Representations (ICLR), May 2018 (conference)

arXiv [BibTex]

arXiv [BibTex]


no image
Learning Coupled Forward-Inverse Models with Combined Prediction Errors

Koert, D., Maeda, G., Neumann, G., Peters, J.

IEEE International Conference on Robotics and Automation, (ICRA), pages: 2433-2439, IEEE, May 2018 (conference)

DOI Project Page [BibTex]

DOI Project Page [BibTex]


no image
Learning Disentangled Representations with Wasserstein Auto-Encoders

Rubenstein, P. K., Schölkopf, B., Tolstikhin, I.

Workshop at the 6th International Conference on Learning Representations (ICLR), May 2018 (conference)

link (url) Project Page [BibTex]

link (url) Project Page [BibTex]


no image
Automatic Estimation of Modulation Transfer Functions

Bauer, M., Volchkov, V., Hirsch, M., Schölkopf, B.

IEEE International Conference on Computational Photography (ICCP), May 2018 (conference)

DOI [BibTex]

DOI [BibTex]


no image
Causal Discovery Using Proxy Variables

Rojas-Carulla, M., Baroni, M., Lopez-Paz, D.

Workshop at 6th International Conference on Learning Representations (ICLR), May 2018 (conference)

link (url) [BibTex]

link (url) [BibTex]


no image
Sample and Feedback Efficient Hierarchical Reinforcement Learning from Human Preferences

Pinsler, R., Akrour, R., Osa, T., Peters, J., Neumann, G.

IEEE International Conference on Robotics and Automation, (ICRA), pages: 596-601, IEEE, May 2018 (conference)

DOI Project Page [BibTex]

DOI Project Page [BibTex]


no image
Group invariance principles for causal generative models

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

Proceedings of the 21st International Conference on Artificial Intelligence and Statistics (AISTATS), 84, pages: 557-565, Proceedings of Machine Learning Research, (Editors: Amos Storkey and Fernando Perez-Cruz), PMLR, April 2018 (conference)

link (url) [BibTex]

link (url) [BibTex]


no image
Boosting Variational Inference: an Optimization Perspective

Locatello, F., Khanna, R., Ghosh, J., Rätsch, G.

Proceedings of the 21st International Conference on Artificial Intelligence and Statistics (AISTATS), 84, pages: 464-472, Proceedings of Machine Learning Research, (Editors: Amos Storkey and Fernando Perez-Cruz), PMLR, April 2018 (conference)

link (url) Project Page Project Page [BibTex]

link (url) Project Page Project Page [BibTex]


no image
Cause-Effect Inference by Comparing Regression Errors

Blöbaum, P., Janzing, D., Washio, T., Shimizu, S., Schölkopf, B.

Proceedings of the 21st International Conference on Artificial Intelligence and Statistics (AISTATS) , 84, pages: 900-909, Proceedings of Machine Learning Research, (Editors: Amos Storkey and Fernando Perez-Cruz), PMLR, April 2018 (conference)

link (url) [BibTex]

link (url) [BibTex]


no image
Will People Like Your Image? Learning the Aesthetic Space

Schwarz, K., Wieschollek, P., Lensch, H. P. A.

2018 IEEE Winter Conference on Applications of Computer Vision (WACV), pages: 2048-2057, March 2018 (conference)

DOI [BibTex]

DOI [BibTex]


no image
Leveraging the Crowd to Detect and Reduce the Spread of Fake News and Misinformation

Kim, J., Tabibian, B., Oh, A., Schölkopf, B., Gomez Rodriguez, M.

Proceedings of the 11th ACM International Conference on Web Search and Data Mining (WSDM), pages: 324-332, (Editors: Yi Chang, Chengxiang Zhai, Yan Liu, and Yoelle Maarek), ACM, Febuary 2018 (conference)

DOI Project Page Project Page [BibTex]

DOI Project Page Project Page [BibTex]


no image
Functional Programming for Modular Bayesian Inference

Ścibior, A., Kammar, O., Ghahramani, Z.

Proceedings of the ACM on Functional Programming (ICFP), 2(Article No. 83):1-29, ACM, 2018 (conference)

DOI Project Page [BibTex]

DOI Project Page [BibTex]


no image
Automatic Bayesian Density Analysis

Vergari, A., Molina, A., Peharz, R., Ghahramani, Z., Kersting, K., Valera, I.

2018 (conference) Submitted

arXiv [BibTex]

arXiv [BibTex]


no image
k–SVRG: Variance Reduction for Large Scale Optimization

Raj, A., Stich, S.

In 2018 (inproceedings) Submitted

[BibTex]

[BibTex]


no image
Probabilistic Deep Learning using Random Sum-Product Networks

Peharz, R., Vergari, A., Stelzner, K., Molina, A., Trapp, M., Kersting, K., Ghahramani, Z.

2018 (conference) Submitted

arXiv [BibTex]

arXiv [BibTex]


no image
A Differentially Private Kernel Two-Sample Test

Raj*, A., Law*, L., Sejdinovic*, D., Park, M.

2018, *equal contribution (conference) Submitted

[BibTex]

[BibTex]


no image
Denotational Validation of Higher-order Bayesian Inference

Ścibior, A., Kammar, O., Vákár, M., Staton, S., Yang, H., Cai, Y., Ostermann, K., Moss, S. K., Heunen, C., Ghahramani, Z.

Proceedings of the ACM on Principles of Programming Languages (POPL), 2(Article No. 60):1-29, ACM, 2018 (conference)

DOI Project Page [BibTex]

DOI Project Page [BibTex]

2006


no image
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]

2006

PDF Web [BibTex]


no image
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]


no image
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]


no image
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]


no image
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]


no image
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]


no image
Semi-Supervised Learning

Zien, A.

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

Web [BibTex]

Web [BibTex]


no image
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]


no image
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]


no image
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]


no image
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]


no image
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]


no image
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]


no image
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]


no image
Semi-Supervised Learning

Chapelle, O., Schölkopf, B., Zien, A.

pages: 508, Adaptive computation and machine learning, MIT Press, Cambridge, MA, USA, September 2006 (book)

Abstract
In the field of machine learning, semi-supervised learning (SSL) occupies the middle ground, between supervised learning (in which all training examples are labeled) and unsupervised learning (in which no label data are given). Interest in SSL has increased in recent years, particularly because of application domains in which unlabeled data are plentiful, such as images, text, and bioinformatics. This first comprehensive overview of SSL presents state-of-the-art algorithms, a taxonomy of the field, selected applications, benchmark experiments, and perspectives on ongoing and future research. Semi-Supervised Learning first presents the key assumptions and ideas underlying the field: smoothness, cluster or low-density separation, manifold structure, and transduction. The core of the book is the presentation of SSL methods, organized according to algorithmic strategies. After an examination of generative models, the book describes algorithms that implement the low-density separation assumption, graph-based methods, and algorithms that perform two-step learning. The book then discusses SSL applications and offers guidelines for SSL practitioners by analyzing the results of extensive benchmark experiments. Finally, the book looks at interesting directions for SSL research. The book closes with a discussion of the relationship between semi-supervised learning and transduction.

Web [BibTex]

Web [BibTex]


no image
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]


no image
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]


no image
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.

PDF PDF [BibTex]

PDF PDF [BibTex]


no image
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]


no image
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]


no image
A Sober Look at Clustering Stability

Ben-David, S., von Luxburg, U., Pal, D.

In COLT 2006, pages: 5-19, (Editors: Lugosi, G. , H.-U. Simon), Springer, Berlin, Germany, 19th Annual Conference on Learning Theory, September 2006 (inproceedings)

Abstract
Stability is a common tool to verify the validity of sample based algorithms. In clustering it is widely used to tune the parameters of the algorithm, such as the number k of clusters. In spite of the popularity of stability in practical applications, there has been very little theoretical analysis of this notion. In this paper we provide a formal definition of stability and analyze some of its basic properties. Quite surprisingly, the conclusion of our analysis is that for large sample size, stability is fully determined by the behavior of the objective function which the clustering algorithm is aiming to minimize. If the objective function has a unique global minimizer, the algorithm is stable, otherwise it is unstable. In particular we conclude that stability is not a well-suited tool to determine the number of clusters - it is determined by the symmetries of the data which may be unrelated to clustering parameters. We prove our results for center-based clusterings and for spectral clustering, and support our conclusions by many examples in which the behavior of stability is counter-intuitive.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


no image
Information Marginalization on Subgraphs

Huang, J., Zhu, T., Rereiner, R., Zhou, D., Schuurmans, D.

In ECML/PKDD 2006, pages: 199-210, (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
Real-world data often involves objects that exhibit multiple relationships; for example, ‘papers’ and ‘authors’ exhibit both paper-author interactions and paper-paper citation relationships. A typical learning problem requires one to make inferences about a subclass of objects (e.g. ‘papers’), while using the remaining objects and relations to provide relevant information. We present a simple, unified mechanism for incorporating information from multiple object types and relations when learning on a targeted subset. In this scheme, all sources of relevant information are marginalized onto the target subclass via random walks. We show that marginalized random walks can be used as a general technique for combining multiple sources of information in relational data. With this approach, we formulate new algorithms for transduction and ranking in relational data, and quantify the performance of new schemes on real world data—achieving good results in many problems.

Web DOI [BibTex]

Web DOI [BibTex]


no image
Bayesian Active Learning for Sensitivity Analysis

Pfingsten, T.

In ECML 2006, pages: 353-364, (Editors: Fürnkranz, J. , T. Scheffer, M. Spiliopoulou), Springer, Berlin, Germany, 17th European Conference on Machine Learning, September 2006 (inproceedings)

Abstract
Designs of micro electro-mechanical devices need to be robust against fluctuations in mass production. Computer experiments with tens of parameters are used to explore the behavior of the system, and to compute sensitivity measures as expectations over the input distribution. Monte Carlo methods are a simple approach to estimate these integrals, but they are infeasible when the models are computationally expensive. Using a Gaussian processes prior, expensive simulation runs can be saved. This Bayesian quadrature allows for an active selection of inputs where the simulation promises to be most valuable, and the number of simulation runs can be reduced further. We present an active learning scheme for sensitivity analysis which is rigorously derived from the corresponding Bayesian expected loss. On three fully featured, high dimensional physical models of electro-mechanical sensors, we show that the learning rate in the active learning scheme is significantly better than for passive learning.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


no image
Machine Learning Algorithms for Polymorphism Detection

Schweikert, G., Zeller, G., Clark, R., Ossowski, S., Warthmann, N., Shinn, P., Frazer, K., Ecker, J., Huson, D., Weigel, D., Schölkopf, B., Rätsch, G.

2nd ISCB Student Council Symposium, August 2006 (talk)

Abstract
Analyzing resequencing array data using machine learning, we obtain a genome-wide inventory of polymorphisms in 20 wild strains of Arabidopsis thaliana, including 750,000 single nucleotide poly- morphisms (SNPs) and thousands of highly polymorphic regions and deletions. We thus provide an unprecedented resource for the study of natural variation in plants.

Web [BibTex]

Web [BibTex]


no image
Supervised Probabilistic Principal Component Analysis

Yu, S., Yu, K., Tresp, V., Kriegel, H., Wu, M.

In KDD 2006, pages: 464-473, (Editors: Ungar, L. ), ACM Press, New York, NY, USA, 12th ACM SIGKDD International Conference on Knowledge Discovery and Data Mining, August 2006 (inproceedings)

Abstract
Principal component analysis (PCA) has been extensively applied in data mining, pattern recognition and information retrieval for unsupervised dimensionality reduction. When labels of data are available, e.g.,~in a classification or regression task, PCA is however not able to use this information. The problem is more interesting if only part of the input data are labeled, i.e.,~in a semi-supervised setting. In this paper we propose a supervised PCA model called SPPCA and a semi-supervised PCA model called S$^2$PPCA, both of which are extensions of a probabilistic PCA model. The proposed models are able to incorporate the label information into the projection phase, and can naturally handle multiple outputs (i.e.,~in multi-task learning problems). We derive an efficient EM learning algorithm for both models, and also provide theoretical justifications of the model behaviors. SPPCA and S$^2$PPCA are compared with other supervised projection methods on various learning tasks, and show not only promising performance but also good scalability.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


no image
Inferential structure determination: Overview and new developments

Habeck, M.

Sixth CCPN Annual Conference: Efficient and Rapid Structure Determination by NMR, July 2006 (talk)

Web [BibTex]

Web [BibTex]


no image
A Continuation Method for Semi-Supervised SVMs

Chapelle, O., Chi, M., Zien, A.

In ICML 2006, pages: 185-192, (Editors: Cohen, W. W., A. Moore), ACM Press, New York, NY, USA, 23rd International Conference on Machine Learning, June 2006 (inproceedings)

Abstract
Semi-Supervised Support Vector Machines (S3VMs) are an appealing method for using unlabeled data in classification: their objective function favors decision boundaries which do not cut clusters. However their main problem is that the optimization problem is non-convex and has many local minima, which often results in suboptimal performances. In this paper we propose to use a global optimization technique known as continuation to alleviate this problem. Compared to other algorithms minimizing the same objective function, our continuation method often leads to lower test errors.

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


no image
MCMC inference in (Conditionally) Conjugate Dirichlet Process Gaussian Mixture Models

Rasmussen, C., Görür, D.

ICML Workshop on Learning with Nonparametric Bayesian Methods, June 2006 (talk)

Abstract
We compare the predictive accuracy of the Dirichlet Process Gaussian mixture models using conjugate and conditionally conjugate priors and show that better density models result from using the wider class of priors. We explore several MCMC schemes exploiting conditional conjugacy and show their computational merits on several multidimensional density estimation problems.

Web [BibTex]

Web [BibTex]