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2019


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Selecting causal brain features with a single conditional independence test per feature

Mastakouri, A., Schölkopf, B., Janzing, D.

Advances in Neural Information Processing Systems 32, 33rd Annual Conference on Neural Information Processing Systems, December 2019 (conference) Accepted

ei

[BibTex]

2019


[BibTex]


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Neural Signatures of Motor Skill in the Resting Brain

Ozdenizci, O., Meyer, T., Wichmann, F., Peters, J., Schölkopf, B., Cetin, M., Grosse-Wentrup, M.

Proceedings of the IEEE International Conference on Systems, Man and Cybernetics (SMC 2019), October 2019 (conference) Accepted

ei

[BibTex]

[BibTex]


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Convolutional neural networks: A magic bullet for gravitational-wave detection?

Gebhard, T., Kilbertus, N., Harry, I., Schölkopf, B.

Physical Review D, 100(6):063015, American Physical Society, September 2019 (article)

ei

link (url) DOI [BibTex]

link (url) DOI [BibTex]


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Data scarcity, robustness and extreme multi-label classification

Babbar, R., Schölkopf, B.

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

ei

DOI [BibTex]

DOI [BibTex]


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Beta Power May Mediate the Effect of Gamma-TACS on Motor Performance

Mastakouri, A., Schölkopf, B., Grosse-Wentrup, M.

Engineering in Medicine and Biology Conference (EMBC), July 2019 (conference) Accepted

ei

arXiv PDF [BibTex]

arXiv PDF [BibTex]


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Coordinating Users of Shared Facilities via Data-driven Predictive Assistants and Game Theory

Geiger, P., Besserve, M., Winkelmann, J., Proissl, C., Schölkopf, B.

Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence (UAI), pages: 49, (Editors: Amir Globerson and Ricardo Silva), AUAI Press, July 2019 (conference)

ei

link (url) [BibTex]

link (url) [BibTex]


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The Sensitivity of Counterfactual Fairness to Unmeasured Confounding

Kilbertus, N., Ball, P. J., Kusner, M. J., Weller, A., Silva, R.

Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence (UAI), pages: 213, (Editors: Amir Globerson and Ricardo Silva), AUAI Press, July 2019 (conference)

ei

link (url) [BibTex]

link (url) [BibTex]


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The Incomplete Rosetta Stone problem: Identifiability results for Multi-view Nonlinear ICA

Gresele*, L., Rubenstein*, P. K., Mehrjou, A., Locatello, F., Schölkopf, B.

Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence (UAI), pages: 53, (Editors: Amir Globerson and Ricardo Silva), AUAI Press, July 2019, *equal contribution (conference)

ei

link (url) [BibTex]

link (url) [BibTex]


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Random Sum-Product Networks: A Simple and Effective Approach to Probabilistic Deep Learning

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

Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence (UAI), pages: 124, (Editors: Amir Globerson and Ricardo Silva), AUAI Press, July 2019 (conference)

ei

link (url) [BibTex]

link (url) [BibTex]


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Kernel Mean Matching for Content Addressability of GANs

Jitkrittum*, W., Sangkloy*, P., Gondal, M. W., Raj, A., Hays, J., Schölkopf, B.

Proceedings of the 36th International Conference on Machine Learning (ICML), 97, pages: 3140-3151, Proceedings of Machine Learning Research, (Editors: Chaudhuri, Kamalika and Salakhutdinov, Ruslan), PMLR, June 2019, *equal contribution (conference)

ei

PDF link (url) [BibTex]

PDF link (url) [BibTex]


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Challenging Common Assumptions in the Unsupervised Learning of Disentangled Representations

Locatello, F., Bauer, S., Lucic, M., Raetsch, G., Gelly, S., Schölkopf, B., Bachem, O.

Proceedings of the 36th International Conference on Machine Learning (ICML), 97, pages: 4114-4124, Proceedings of Machine Learning Research, (Editors: Chaudhuri, Kamalika and Salakhutdinov, Ruslan), PMLR, June 2019 (conference)

ei

PDF link (url) [BibTex]

PDF link (url) [BibTex]


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Local Temporal Bilinear Pooling for Fine-grained Action Parsing

Zhang, Y., Tang, S., Muandet, K., Jarvers, C., Neumann, H.

In Proceedings IEEE Conf. on Computer Vision and Pattern Recognition (CVPR), IEEE International Conference on Computer Vision and Pattern Recognition (CVPR) 2019, June 2019 (inproceedings)

Abstract
Fine-grained temporal action parsing is important in many applications, such as daily activity understanding, human motion analysis, surgical robotics and others requiring subtle and precise operations in a long-term period. In this paper we propose a novel bilinear pooling operation, which is used in intermediate layers of a temporal convolutional encoder-decoder net. In contrast to other work, our proposed bilinear pooling is learnable and hence can capture more complex local statistics than the conventional counterpart. In addition, we introduce exact lower-dimension representations of our bilinear forms, so that the dimensionality is reduced with neither information loss nor extra computation. We perform intensive experiments to quantitatively analyze our model and show the superior performances to other state-of-the-art work on various datasets.

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Code video demo pdf link (url) [BibTex]

Code video demo pdf link (url) [BibTex]


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Generate Semantically Similar Images with Kernel Mean Matching

Jitkrittum*, W., Sangkloy*, P., Gondal, M. W., Raj, A., Hays, J., Schölkopf, B.

6th Workshop Women in Computer Vision (WiCV) (oral presentation), June 2019, *equal contribution (conference) Accepted

ei

[BibTex]

[BibTex]


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Robustly Disentangled Causal Mechanisms: Validating Deep Representations for Interventional Robustness

Suter, R., Miladinovic, D., Schölkopf, B., Bauer, S.

Proceedings of the 36th International Conference on Machine Learning (ICML), 97, pages: 6056-6065, Proceedings of Machine Learning Research, (Editors: Chaudhuri, Kamalika and Salakhutdinov, Ruslan), PMLR, June 2019 (conference)

ei

PDF link (url) [BibTex]

PDF link (url) [BibTex]


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First-Order Adversarial Vulnerability of Neural Networks and Input Dimension

Simon-Gabriel, C., Ollivier, Y., Bottou, L., Schölkopf, B., Lopez-Paz, D.

Proceedings of the 36th International Conference on Machine Learning (ICML), 97, pages: 5809-5817, Proceedings of Machine Learning Research, (Editors: Chaudhuri, Kamalika and Salakhutdinov, Ruslan), PMLR, June 2019 (conference)

ei

PDF link (url) [BibTex]

PDF link (url) [BibTex]


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Overcoming Mean-Field Approximations in Recurrent Gaussian Process Models

Ialongo, A. D., Van Der Wilk, M., Hensman, J., Rasmussen, C. E.

In Proceedings of the 36th International Conference on Machine Learning (ICML), 97, pages: 2931-2940, Proceedings of Machine Learning Research, (Editors: Chaudhuri, Kamalika and Salakhutdinov, Ruslan), PMLR, June 2019 (inproceedings)

ei

PDF link (url) [BibTex]

PDF link (url) [BibTex]


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Meta learning variational inference for prediction

Gordon, J., Bronskill, J., Bauer, M., Nowozin, S., Turner, R.

7th International Conference on Learning Representations (ICLR), May 2019 (conference) Accepted

ei

arXiv link (url) [BibTex]

arXiv link (url) [BibTex]


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Deep Lagrangian Networks: Using Physics as Model Prior for Deep Learning

Lutter, M., Ritter, C., Peters, J.

7th International Conference on Learning Representations (ICLR), May 2019 (conference) Accepted

ei

link (url) [BibTex]

link (url) [BibTex]


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DeepOBS: A Deep Learning Optimizer Benchmark Suite

Schneider, F., Balles, L., Hennig, P.

7th International Conference on Learning Representations (ICLR), May 2019 (conference) Accepted

ei pn

link (url) [BibTex]

link (url) [BibTex]


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Disentangled State Space Models: Unsupervised Learning of Dynamics across Heterogeneous Environments

Miladinović*, D., Gondal*, M. W., Schölkopf, B., Buhmann, J. M., Bauer, S.

Deep Generative Models for Highly Structured Data Workshop at ICLR, May 2019, *equal contribution (conference) Accepted

ei

link (url) [BibTex]

link (url) [BibTex]


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SOM-VAE: Interpretable Discrete Representation Learning on Time Series

Fortuin, V., Hüser, M., Locatello, F., Strathmann, H., Rätsch, G.

7th International Conference on Learning Representations (ICLR), May 2019 (conference) Accepted

ei

link (url) [BibTex]

link (url) [BibTex]


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Resampled Priors for Variational Autoencoders

Bauer, M., Mnih, A.

22nd International Conference on Artificial Intelligence and Statistics, April 2019 (conference) Accepted

ei

arXiv [BibTex]

arXiv [BibTex]


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Semi-Generative Modelling: Covariate-Shift Adaptation with Cause and Effect Features

von Kügelgen, J., Mey, A., Loog, M.

Proceedings of the 22nd International Conference on Artificial Intelligence and Statistics (AISTATS), 89, pages: 1361-1369, (Editors: Kamalika Chaudhuri and Masashi Sugiyama), PMLR, April 2019 (conference)

ei

PDF link (url) [BibTex]

PDF link (url) [BibTex]


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Sobolev Descent

Mroueh, Y., Sercu, T., Raj, A.

Proceedings of the 22nd International Conference on Artificial Intelligence and Statistics (AISTATS), 89, pages: 2976-2985, (Editors: Kamalika Chaudhuri and Masashi Sugiyama), PMLR, April 2019 (conference)

ei

PDF link (url) [BibTex]

PDF link (url) [BibTex]


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Fast and Robust Shortest Paths on Manifolds Learned from Data

Arvanitidis, G., Hauberg, S., Hennig, P., Schober, M.

Proceedings of the 22nd International Conference on Artificial Intelligence and Statistics (AISTATS), 89, pages: 1506-1515, (Editors: Kamalika Chaudhuri and Masashi Sugiyama), PMLR, April 2019 (conference)

ei pn

PDF link (url) [BibTex]

PDF link (url) [BibTex]


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Fast Gaussian Process Based Gradient Matching for Parameter Identification in Systems of Nonlinear ODEs

Wenk, P., Gotovos, A., Bauer, S., Gorbach, N., Krause, A., Buhmann, J. M.

Proceedings of the 22nd International Conference on Artificial Intelligence and Statistics (AISTATS), 89, pages: 1351-1360, (Editors: Kamalika Chaudhuri and Masashi Sugiyama), PMLR, April 2019 (conference)

ei

PDF PDF link (url) [BibTex]

PDF PDF link (url) [BibTex]


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Active Probabilistic Inference on Matrices for Pre-Conditioning in Stochastic Optimization

de Roos, F., Hennig, P.

Proceedings of the 22nd International Conference on Artificial Intelligence and Statistics (AISTATS), 89, pages: 1448-1457, (Editors: Kamalika Chaudhuri and Masashi Sugiyama), PMLR, April 2019 (conference)

Abstract
Pre-conditioning is a well-known concept that can significantly improve the convergence of optimization algorithms. For noise-free problems, where good pre-conditioners are not known a priori, iterative linear algebra methods offer one way to efficiently construct them. For the stochastic optimization problems that dominate contemporary machine learning, however, this approach is not readily available. We propose an iterative algorithm inspired by classic iterative linear solvers that uses a probabilistic model to actively infer a pre-conditioner in situations where Hessian-projections can only be constructed with strong Gaussian noise. The algorithm is empirically demonstrated to efficiently construct effective pre-conditioners for stochastic gradient descent and its variants. Experiments on problems of comparably low dimensionality show improved convergence. In very high-dimensional problems, such as those encountered in deep learning, the pre-conditioner effectively becomes an automatic learning-rate adaptation scheme, which we also empirically show to work well.

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PDF link (url) [BibTex]

PDF link (url) [BibTex]


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

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

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

ei

DOI [BibTex]

DOI [BibTex]


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Enhancing Human Learning via Spaced Repetition Optimization

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

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

ei

DOI Project Page Project Page [BibTex]

DOI Project Page Project Page [BibTex]


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Learning to Control Highly Accelerated Ballistic Movements on Muscular Robots

Büchler, D., Calandra, R., Peters, J.

2019 (article) Submitted

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

ei

Arxiv Video [BibTex]


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AReS and MaRS Adversarial and MMD-Minimizing Regression for SDEs

Abbati*, G., Wenk*, P., Osborne, M. A., Krause, A., Schölkopf, B., Bauer, S.

Proceedings of the 36th International Conference on Machine Learning (ICML), 97, pages: 1-10, Proceedings of Machine Learning Research, (Editors: Chaudhuri, Kamalika and Salakhutdinov, Ruslan), PMLR, 2019, *equal contribution (conference)

ei

PDF link (url) [BibTex]

PDF link (url) [BibTex]


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Inferring causation from time series with perspectives in Earth system sciences

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

Nature Communications, 2019 (article) In revision

ei

[BibTex]

[BibTex]


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Kernel Stein Tests for Multiple Model Comparison

Lim, J. N., Yamada, M., Schölkopf, B., Jitkrittum, W.

Advances in Neural Information Processing Systems 32, 33rd Annual Conference on Neural Information Processing Systems, 2019 (conference) To be published

ei

[BibTex]

[BibTex]


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MYND: A Platform for Large-scale Neuroscientific Studies

Hohmann, M. R., Hackl, M., Wirth, B., Zaman, T., Enficiaud, R., Grosse-Wentrup, M., Schölkopf, B.

Proceedings of the 2019 Conference on Human Factors in Computing Systems (CHI), 2019 (conference) Accepted

ei

[BibTex]

[BibTex]


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A Kernel Stein Test for Comparing Latent Variable Models

Kanagawa, H., Jitkrittum, W., Mackey, L., Fukumizu, K., Gretton, A.

2019 (conference) Submitted

ei

arXiv [BibTex]

arXiv [BibTex]


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From Variational to Deterministic Autoencoders

Ghosh*, P., Sajjadi*, M. S. M., Vergari, A., Black, M. J., Schölkopf, B.

2019, *equal contribution (conference) Submitted

Abstract
Variational Autoencoders (VAEs) provide a theoretically-backed framework for deep generative models. However, they often produce “blurry” images, which is linked to their training objective. Sampling in the most popular implementation, the Gaussian VAE, can be interpreted as simply injecting noise to the input of a deterministic decoder. In practice, this simply enforces a smooth latent space structure. We challenge the adoption of the full VAE framework on this specific point in favor of a simpler, deterministic one. Specifically, we investigate how substituting stochasticity with other explicit and implicit regularization schemes can lead to a meaningful latent space without having to force it to conform to an arbitrarily chosen prior. To retrieve a generative mechanism for sampling new data points, we propose to employ an efficient ex-post density estimation step that can be readily adopted both for the proposed deterministic autoencoders as well as to improve sample quality of existing VAEs. We show in a rigorous empirical study that regularized deterministic autoencoding achieves state-of-the-art sample quality on the common MNIST, CIFAR-10 and CelebA datasets.

ei ps

arXiv [BibTex]


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Fisher Efficient Inference of Intractable Models

Liu, S., Kanamori, T., Jitkrittum, W., Chen, Y.

Advances in Neural Information Processing Systems 32, 33rd Annual Conference on Neural Information Processing Systems, 2019 (conference) To be published

ei

arXiv [BibTex]

arXiv [BibTex]

2006


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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.

ei

PDF Web [BibTex]

2006


PDF Web [BibTex]


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Structure validation of the Josephin domain of ataxin-3: Conclusive evidence for an open conformation

Nicastro, G., Habeck, M., Masino, L., Svergun, DI., Pastore, A.

Journal of Biomolecular NMR, 36(4):267-277, December 2006 (article)

Abstract
The availability of new and fast tools in structure determination has led to a more than exponential growth of the number of structures solved per year. It is therefore increasingly essential to assess the accuracy of the new structures by reliable approaches able to assist validation. Here, we discuss a specific example in which the use of different complementary techniques, which include Bayesian methods and small angle scattering, resulted essential for validating the two currently available structures of the Josephin domain of ataxin-3, a protein involved in the ubiquitin/proteasome pathway and responsible for neurodegenerative spinocerebellar ataxia of type 3. Taken together, our results demonstrate that only one of the two structures is compatible with the experimental information. Based on the high precision of our refined structure, we show that Josephin contains an open cleft which could be directly implicated in the interaction with polyubiquitin chains and other partners.

ei

Web DOI [BibTex]

Web DOI [BibTex]


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A Unifying View of Wiener and Volterra Theory and Polynomial Kernel Regression

Franz, M., Schölkopf, B.

Neural Computation, 18(12):3097-3118, December 2006 (article)

Abstract
Volterra and Wiener series are perhaps the best understood nonlinear system representations in signal processing. Although both approaches have enjoyed a certain popularity in the past, their application has been limited to rather low-dimensional and weakly nonlinear systems due to the exponential growth of the number of terms that have to be estimated. We show that Volterra and Wiener series can be represented implicitly as elements of a reproducing kernel Hilbert space by utilizing polynomial kernels. The estimation complexity of the implicit representation is linear in the input dimensionality and independent of the degree of nonlinearity. Experiments show performance advantages in terms of convergence, interpretability, and system sizes that can be handled.

ei

PDF Web DOI [BibTex]

PDF Web 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]).

ei

PDF [BibTex]

PDF [BibTex]


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Statistical Analysis of Slow Crack Growth Experiments

Pfingsten, T., Glien, K.

Journal of the European Ceramic Society, 26(15):3061-3065, November 2006 (article)

Abstract
A common approach for the determination of Slow Crack Growth (SCG) parameters are the static and dynamic loading method. Since materials with small Weibull module show a large variability in strength, a correct statistical analysis of the data is indispensable. In this work we propose the use of the Maximum Likelihood method and a Baysian analysis, which, in contrast to the standard procedures, take into account that failure strengths are Weibull distributed. The analysis provides estimates for the SCG parameters, the Weibull module, and the corresponding confidence intervals and overcomes the necessity of manual differentiation between inert and fatigue strength data. We compare the methods to a Least Squares approach, which can be considered the standard procedure. The results for dynamic loading data from the glass sealing of MEMS devices show that the assumptions inherent to the standard approach lead to significantly different estimates.

ei

PDF PDF DOI [BibTex]

PDF PDF DOI [BibTex]


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Mining frequent stem patterns from unaligned RNA sequences

Hamada, M., Tsuda, K., Kudo, T., Kin, T., Asai, K.

Bioinformatics, 22(20):2480-2487, October 2006 (article)

Abstract
Motivation: In detection of non-coding RNAs, it is often necessary to identify the secondary structure motifs from a set of putative RNA sequences. Most of the existing algorithms aim to provide the best motif or few good motifs, but biologists often need to inspect all the possible motifs thoroughly. Results: Our method RNAmine employs a graph theoretic representation of RNA sequences, and detects all the possible motifs exhaustively using a graph mining algorithm. The motif detection problem boils down to finding frequently appearing patterns in a set of directed and labeled graphs. In the tasks of common secondary structure prediction and local motif detection from long sequences, our method performed favorably both in accuracy and in efficiency with the state-of-the-art methods such as CMFinder.

ei

PDF Web DOI [BibTex]

PDF Web DOI [BibTex]


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Large-Scale Gene Expression Profiling Reveals Major Pathogenetic Pathways of Cartilage Degeneration in Osteoarthritis

Aigner, T., Fundel, K., Saas, J., Gebhard, P., Haag, J., Weiss, T., Zien, A., Obermayr, F., Zimmer, R., Bartnik, E.

Arthritis and Rheumatism, 54(11):3533-3544, October 2006 (article)

Abstract
Objective. Despite many research efforts in recent decades, the major pathogenetic mechanisms of osteo- arthritis (OA), including gene alterations occurring during OA cartilage degeneration, are poorly under- stood, and there is no disease-modifying treatment approach. The present study was therefore initiated in order to identify differentially expressed disease-related genes and potential therapeutic targets. Methods. This investigation consisted of a large gene expression profiling study performed based on 78 normal and disease samples, using a custom-made complementar y DNA array covering >4,000 genes. Results. Many differentially expressed genes were identified, including the expected up-regulation of ana- bolic and catabolic matrix genes. In particular, the down-regulation of important oxidative defense genes, i.e., the genes for superoxide dismutases 2 and 3 and glutathione peroxidase 3, was prominent. This indicates that continuous oxidative stress to the cells and the matrix is one major underlying pathogenetic mecha- nism in OA. Also, genes that are involved in the phenot ypic stabilit y of cells, a feature that is greatly reduced in OA cartilage, appeared to be suppressed. Conclusion. Our findings provide a reference data set on gene alterations in OA cartilage and, importantly, indicate major mechanisms underlying central cell bio- logic alterations that occur during the OA disease process. These results identify molecular targets that can be further investigated in the search for therapeutic interventions.

ei

Web DOI [BibTex]

Web DOI [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.

ei

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.

ei

Web DOI [BibTex]

Web DOI [BibTex]