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2007


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Reaction graph kernels for discovering missing enzymes in the plant secondary metabolism

Saigo, H., Hattori, M., Tsuda, K.

NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

Abstract
Secondary metabolic pathway in plant is important for finding druggable candidate enzymes. However, there are many enzymes whose functions are still undiscovered especially in organism-specific metabolic pathways. We propose reaction graph kernels for automatically assigning the EC numbers to unknown enzymatic reactions in a metabolic network. Experiments are carried out on KEGG/REACTION database and our method successfully predicted the first three digits of the EC number with 83% accuracy.We also exhaustively predicted missing enzymatic functions in the plant secondary metabolism pathways, and evaluated our results in biochemical validity.

ei

Web [BibTex]

2007


Web [BibTex]


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Positional Oligomer Importance Matrices

Sonnenburg, S., Zien, A., Philips, P., Rätsch, G.

NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

Abstract
At the heart of many important bioinformatics problems, such as gene finding and function prediction, is the classification of biological sequences, above all of DNA and proteins. In many cases, the most accurate classifiers are obtained by training SVMs with complex sequence kernels, for instance for transcription starts or splice sites. However, an often criticized downside of SVMs with complex kernels is that it is very hard for humans to understand the learned decision rules and to derive biological insights from them. To close this gap, we introduce the concept of positional oligomer importance matrices (POIMs) and develop an efficient algorithm for their computation. We demonstrate how they overcome the limitations of sequence logos, and how they can be used to find relevant motifs for different biological phenomena in a straight-forward way. Note that the concept of POIMs is not limited to interpreting SVMs, but is applicable to general k−mer based scoring systems.

ei

Web [BibTex]

Web [BibTex]


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Machine Learning Algorithms for Polymorphism Detection

Schweikert, G., Zeller, G., Weigel, D., Schölkopf, B., Rätsch, G.

NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

ei

Web [BibTex]

Web [BibTex]


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An Automated Combination of Kernels for Predicting Protein Subcellular Localization

Zien, A., Ong, C.

NIPS Workshop on Machine Learning in Computational Biology, December 2007 (talk)

Abstract
Protein subcellular localization is a crucial ingredient to many important inferences about cellular processes, including prediction of protein function and protein interactions.We propose a new class of protein sequence kernels which considers all motifs including motifs with gaps. This class of kernels allows the inclusion of pairwise amino acid distances into their computation. We utilize an extension of the multiclass support vector machine (SVM)method which directly solves protein subcellular localization without resorting to the common approach of splitting the problem into several binary classification problems. To automatically search over families of possible amino acid motifs, we optimize over multiple kernels at the same time. We compare our automated approach to four other predictors on three different datasets, and show that we perform better than the current state of the art. Furthermore, our method provides some insights as to which features are most useful for determining subcellular localization, which are in agreement with biological reasoning.

ei

Web [BibTex]

Web [BibTex]


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Challenges in Brain-Computer Interface Development: Induction, Measurement, Decoding, Integration

Hill, NJ.

Invited keynote talk at the launch of BrainGain, the Dutch BCI research consortium, November 2007 (talk)

Abstract
I‘ll present a perspective on Brain-Computer Interface development from T{\"u}bingen. Some of the benefits promised by BCI technology lie in the near foreseeable future, and some further away. Our motivation is to make BCI technology feasible for the people who could benefit from what it has to offer soon: namely, people in the "completely locked-in" state. I‘ll mention some of the challenges of working with this user group, and explain the specific directions they have motivated us to take in developing experimental methods, algorithms, and software.

ei

[BibTex]

[BibTex]


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Some Theoretical Aspects of Human Categorization Behavior: Similarity and Generalization

Jäkel, F.

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

ei

PDF [BibTex]

PDF [BibTex]


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Statistical Learning Theory Approaches to Clustering

Jegelka, S.

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

ei

PDF [BibTex]

PDF [BibTex]


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Policy Learning for Robotics

Peters, J.

14th International Conference on Neural Information Processing (ICONIP), November 2007 (talk)

ei

Web [BibTex]

Web [BibTex]


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Hilbert Space Representations of Probability Distributions

Gretton, A.

2nd Workshop on Machine Learning and Optimization at the ISM, October 2007 (talk)

Abstract
Many problems in unsupervised learning require the analysis of features of probability distributions. At the most fundamental level, we might wish to determine whether two distributions are the same, based on samples from each - this is known as the two-sample or homogeneity problem. We use kernel methods to address this problem, by mapping probability distributions to elements in a reproducing kernel Hilbert space (RKHS). Given a sufficiently rich RKHS, these representations are unique: thus comparing feature space representations allows us to compare distributions without ambiguity. Applications include testing whether cancer subtypes are distinguishable on the basis of DNA microarray data, and whether low frequency oscillations measured at an electrode in the cortex have a different distribution during a neural spike. A more difficult problem is to discover whether two random variables drawn from a joint distribution are independent. It turns out that any dependence between pairs of random variables can be encoded in a cross-covariance operator between appropriate RKHS representations of the variables, and we may test independence by looking at a norm of the operator. We demonstrate this independence test by establishing dependence between an English text and its French translation, as opposed to French text on the same topic but otherwise unrelated. Finally, we show that this operator norm is itself a difference in feature means.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Regression with Intervals

Kashima, H., Yamazaki, K., Saigo, H., Inokuchi, A.

International Workshop on Data-Mining and Statistical Science (DMSS2007), October 2007, JSAI Incentive Award. Talk was given by Hisashi Kashima. (talk)

ei

Web [BibTex]

Web [BibTex]


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MR-Based PET Attenuation Correction: Method and Validation

Hofmann, M., Steinke, F., Scheel, V., Brady, M., Schölkopf, B., Pichler, B.

Joint Molecular Imaging Conference, September 2007 (talk)

Abstract
PET/MR combines the high soft tissue contrast of Magnetic Resonance Imaging (MRI) and the functional information of Positron Emission Tomography (PET). For quantitative PET information, correction of tissue photon attenuation is mandatory. Usually in conventional PET, the attenuation map is obtained from a transmission scan, which uses a rotating source, or from the CT scan in case of combined PET/CT. In the case of a PET/MR scanner, there is insufficient space for the rotating source and ideally one would want to calculate the attenuation map from the MR image instead. Since MR images provide information about proton density of the different tissue types, it is not trivial to use this data for PET attenuation correction. We present a method for predicting the PET attenuation map from a given the MR image, using a combination of atlas-registration and recognition of local patterns. Using "leave one out cross validation" we show on a database of 16 MR-CT image pairs that our method reliably allows estimating the CT image from the MR image. Subsequently, as in PET/CT, the PET attenuation map can be predicted from the CT image. On an additional dataset of MR/CT/PET triplets we quantitatively validate that our approach allows PET quantification with an error that is smaller than what would be clinically significant. We demonstrate our approach on T1-weighted human brain scans. However, the presented methods are more general and current research focuses on applying the established methods to human whole body PET/MRI applications.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Bayesian methods for NMR structure determination

Habeck, M.

29th Annual Discussion Meeting: Magnetic Resonance in Biophysical Chemistry, September 2007 (talk)

ei

Web [BibTex]

Web [BibTex]


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Thinking Out Loud: Research and Development of Brain Computer Interfaces

Hill, NJ.

Invited keynote talk at the Max Planck Society‘s PhDNet Workshop., July 2007 (talk)

Abstract
My principal interest is in applying machine-learning methods to the development of Brain-Computer Interfaces (BCI). This involves the classification of a user‘s intentions or mental states, or regression against some continuous intentional control signal, using brain signals obtained for example by EEG, ECoG or MEG. The long-term aim is to develop systems that a completely paralysed person (such as someone suffering from advanced Amyotrophic Lateral Sclerosis) could use to communicate. Such systems have the potential to improve the lives of many people who would be otherwise completely unable to communicate, but they are still very much in the research and development stages.

ei

PDF [BibTex]

PDF [BibTex]


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Error Correcting Codes for the P300 Visual Speller

Biessmann, F.

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

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

ei

PDF [BibTex]

PDF [BibTex]


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Data-driven goodness-of-fit tests

Langovoy, MA.

Biologische Kybernetik, Georg-August-Universität Göttingen, Göttingen, Germany, July 2007 (phdthesis)

ei

Web [BibTex]

Web [BibTex]


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Dirichlet Process Mixtures of Factor Analysers

Görür, D., Rasmussen, C.

Fifth Workshop on Bayesian Inference in Stochastic Processes (BSP5), June 2007 (talk)

Abstract
Mixture of factor analysers (MFA) is a well-known model that combines the dimensionality reduction technique of Factor Analysis (FA) with mixture modeling. The key issue in MFA is deciding on the latent dimension and the number of mixture components to be used. The Bayesian treatment of MFA has been considered by Beal and Ghahramani (2000) using variational approximation and by Fokoué and Titterington (2003) using birth-and –death Markov chain Monte Carlo (MCMC). Here, we present the nonparametric MFA model utilizing a Dirichlet process (DP) prior on the component parameters (that is, the factor loading matrix and the mean vector of each component) and describe an MCMC scheme for inference. The clustering property of the DP provides automatic selection of the number of mixture components. The latent dimensionality of each component is inferred by automatic relevance determination (ARD). Identifying the action potentials of individual neurons from extracellular recordings, known as spike sorting, is a challenging clustering problem. We apply our model for clustering the waveforms recorded from the cortex of a macaque monkey.

ei

Web [BibTex]

Web [BibTex]


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New BCI approaches: Selective Attention to Auditory and Tactile Stimulus Streams

Hill, N., Raths, C.

Invited talk at the PASCAL Workshop on Methods of Data Analysis in Computational Neuroscience and Brain Computer Interfaces, June 2007 (talk)

Abstract
When considering Brain-Computer Interface (BCI) development for patients in the most severely paralysed states, there is considerable motivation to move away from BCI systems based on either motor cortex activity, or on visual stimuli. Together these account for most of current BCI research. I present the results of our recent exploration of new auditory- and tactile-stimulus-driven BCIs. The talk includes a tutorial on the construction and interpretation of classifiers which extract spatio-temporal features from event-related potential data. The effects and implications of whitening are discussed, and preliminary results on the effectiveness of a low-rank constraint (Tomioka and Aihara 2007) are shown.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Towards Motor Skill Learning in Robotics

Peters, J.

Interactive Robot Learning - RSS workshop, June 2007 (talk)

ei

Web [BibTex]

Web [BibTex]


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Transductive Support Vector Machines for Structured Variables

Zien, A., Brefeld, U., Scheffer, T.

International Conference on Machine Learning (ICML), June 2007 (talk)

Abstract
We study the problem of learning kernel machines transductively for structured output variables. Transductive learning can be reduced to combinatorial optimization problems over all possible labelings of the unlabeled data. In order to scale transductive learning to structured variables, we transform the corresponding non-convex, combinatorial, constrained optimization problems into continuous, unconstrained optimization problems. The discrete optimization parameters are eliminated and the resulting differentiable problems can be optimized efficiently. We study the effectiveness of the generalized TSVM on multiclass classification and label-sequence learning problems empirically.

ei

PDF PDF Web [BibTex]

PDF PDF Web [BibTex]


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Impact of target-to-target interval on classification performance in the P300 speller

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

Scientific Meeting "Applied Neuroscience for Healthy Brain Function", May 2007 (talk)

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Benchmarking of Policy Gradient Methods

Peters, J.

ADPRL Workshop, April 2007 (talk)

ei

[BibTex]

[BibTex]


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Nonparametric Bayesian Discrete Latent Variable Models for Unsupervised Learning

Görür, D.

Biologische Kybernetik, Technische Universität Berlin, Berlin, Germany, April 2007, published online (phdthesis)

ei

PDF PDF [BibTex]

PDF PDF [BibTex]


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Applications of Kernel Machines to Structured Data

Eichhorn, J.

Biologische Kybernetik, Technische Universität Berlin, Berlin, Germany, March 2007, passed with "sehr gut", published online (phdthesis)

ei

PDF [BibTex]

PDF [BibTex]


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A priori Knowledge from Non-Examples

Sinz, FH.

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

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Machine Learning for Mass Production and Industrial Engineering

Pfingsten, T.

Biologische Kybernetik, Eberhard-Karls-Universität Tübingen, Tübingen, Germany, February 2007 (phdthesis)

ei

PDF [BibTex]

PDF [BibTex]


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New Margin- and Evidence-Based Approaches for EEG Signal Classification

Hill, N., Farquhar, J.

Invited talk at the FaSor Jahressymposium, February 2007 (talk)

ei

PDF [BibTex]

PDF [BibTex]


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Development of a Brain-Computer Interface Approach Based on Covert Attention to Tactile Stimuli

Raths, C.

University of Tübingen, Germany, University of Tübingen, Germany, January 2007 (diplomathesis)

ei

[BibTex]

[BibTex]


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A Machine Learning Approach for Estimating the Attenuation Map for a Combined PET/MR Scanner

Hofmann, M.

Biologische Kybernetik, Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, 2007 (diplomathesis)

ei

[BibTex]

[BibTex]


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Machine Learning of Motor Skills for Robotics

Peters, J.

University of Southern California, Los Angeles, CA, USA, University of Southern California, Los Angeles, CA, USA, 2007, clmc (phdthesis)

Abstract
Autonomous robots that can assist humans in situations of daily life have been a long standing vision of robotics, artificial intelligence, and cognitive sciences. A first step towards this goal is to create robots that can accomplish a multitude of different tasks, triggered by environmental context or higher level instruction. Early approaches to this goal during the heydays of artificial intelligence research in the late 1980s, however, made it clear that an approach purely based on reasoning and human insights would not be able to model all the perceptuomotor tasks that a robot should fulfill. Instead, new hope was put in the growing wake of machine learning that promised fully adaptive control algorithms which learn both by observation and trial-and-error. However, to date, learning techniques have yet to fulfill this promise as only few methods manage to scale into the high-dimensional domains of manipulator robotics, or even the new upcoming trend of humanoid robotics, and usually scaling was only achieved in precisely pre-structured domains. In this thesis, we investigate the ingredients for a general approach to motor skill learning in order to get one step closer towards human-like performance. For doing so, we study two major components for such an approach, i.e., firstly, a theoretically well-founded general approach to representing the required control structures for task representation and execution and, secondly, appropriate learning algorithms which can be applied in this setting. As a theoretical foundation, we first study a general framework to generate control laws for real robots with a particular focus on skills represented as dynamical systems in differential constraint form. We present a point-wise optimal control framework resulting from a generalization of Gauss' principle and show how various well-known robot control laws can be derived by modifying the metric of the employed cost function. The framework has been successfully applied to task space tracking control for holonomic systems for several different metrics on the anthropomorphic SARCOS Master Arm. In order to overcome the limiting requirement of accurate robot models, we first employ learning methods to find learning controllers for task space control. However, when learning to execute a redundant control problem, we face the general problem of the non-convexity of the solution space which can force the robot to steer into physically impossible configurations if supervised learning methods are employed without further consideration. This problem can be resolved using two major insights, i.e., the learning problem can be treated as locally convex and the cost function of the analytical framework can be used to ensure global consistency. Thus, we derive an immediate reinforcement learning algorithm from the expectation-maximization point of view which leads to a reward-weighted regression technique. This method can be used both for operational space control as well as general immediate reward reinforcement learning problems. We demonstrate the feasibility of the resulting framework on the problem of redundant end-effector tracking for both a simulated 3 degrees of freedom robot arm as well as for a simulated anthropomorphic SARCOS Master Arm. While learning to execute tasks in task space is an essential component to a general framework to motor skill learning, learning the actual task is of even higher importance, particularly as this issue is more frequently beyond the abilities of analytical approaches than execution. We focus on the learning of elemental tasks which can serve as the "building blocks of movement generation", called motor primitives. Motor primitives are parameterized task representations based on splines or nonlinear differential equations with desired attractor properties. While imitation learning of parameterized motor primitives is a relatively well-understood problem, the self-improvement by interaction of the system with the environment remains a challenging problem, tackled in the fourth chapter of this thesis. For pursuing this goal, we highlight the difficulties with current reinforcement learning methods, and outline both established and novel algorithms for the gradient-based improvement of parameterized policies. We compare these algorithms in the context of motor primitive learning, and show that our most modern algorithm, the Episodic Natural Actor-Critic outperforms previous algorithms by at least an order of magnitude. We demonstrate the efficiency of this reinforcement learning method in the application of learning to hit a baseball with an anthropomorphic robot arm. In conclusion, in this thesis, we have contributed a general framework for analytically computing robot control laws which can be used for deriving various previous control approaches and serves as foundation as well as inspiration for our learning algorithms. We have introduced two classes of novel reinforcement learning methods, i.e., the Natural Actor-Critic and the Reward-Weighted Regression algorithm. These algorithms have been used in order to replace the analytical components of the theoretical framework by learned representations. Evaluations have been performed on both simulated and real robot arms.

am ei

[BibTex]

[BibTex]


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On the theory of magnetization dynamics of non-collinear spin systems in the s-d model

De Angeli, L.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Zur ab-initio Elektronentheorie des Magnetismus bei endlichen Temperaturen

Dietermann, F.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Röntgenzirkulardichroische Untersuchungen an ferromagnetischen verdünnten Halbleitersystemen

Tietze, T.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Low-dimensional Fe on vicinal Ir(997): Growth and magnetic properties

Kawwam, M.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Micromagnetic simulations of switching processes and the role of thermal fluctuations

Macke, S.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Physisorption von Wasserstoff in neuen Materialien mit gro\sser spezifischer Oberfläche

Schmitz, B.

Universität Bonn, Bonn, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Towards spin injection into silicon

Dash, S. P.

Universität Stuttgart, Stuttgart, 2007 (phdthesis)

mms

link (url) [BibTex]

link (url) [BibTex]


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Bestimmung der kritischen Schichtdicken ferromagnetischer Plättchen für Eindomänenverhalten

Soehnle, S.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Zeitaufgelöste Röntgenmikroskopie an magnetischen Mikrostrukturen

Puzic, A.

Universität Stuttgart, Stuttgart, 2007 (phdthesis)

mms

link (url) [BibTex]

link (url) [BibTex]


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Vortex dynamics studied by time-resolved X-ray microscopy

Chou, K. W.

Universität Stuttgart, Stuttgart, 2007 (phdthesis)

mms

link (url) [BibTex]

link (url) [BibTex]


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Resonante magnetische Reflektometrie an Ferromagnet/Paramagnet Heterostrukturen

Ferreras Paz, V.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Herstellung und Charakterisierung dünner Niob-Schichten auf verschiedenen Substraten

Mayer, M. W. R.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Formation of hard magnetic L10-FePt/FePd monolayers from elemental multilayers

Goo, N. H.

Universität Stuttgart, Stuttgart, 2007 (phdthesis)

mms

link (url) [BibTex]

link (url) [BibTex]


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Zur ab-initio Elektronentheorie stark nichtkollinearer Spinsysteme

Köberle, I.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Theorie der Kernspektroskopie mit zirkular polarisierter Gammastrahlung

Engelhart, W.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Untersuchung der Adsorption von Wasserstoff in porösen Materialien

Hönes, K.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]


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Untersuchung der mechanischen Eigenschaften dünner Chromschichten

Jüllig, P.

Universität Stuttgart, Stuttgart, 2007 (mastersthesis)

mms

[BibTex]

[BibTex]

2006


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A Kernel Method for the Two-Sample-Problem

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

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

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

ei

PDF [BibTex]

2006


PDF [BibTex]


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Ab-initio gene finding using machine learning

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

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

ei

Web [BibTex]

Web [BibTex]