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2006


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A New Projected Quasi-Newton Approach for the Nonnegative Least Squares Problem

Kim, D., Sra, S., Dhillon, I.

(TR-06-54), Univ. of Texas, Austin, December 2006 (techreport)

PDF [BibTex]

2006

PDF [BibTex]


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Probabilistic inference for solving (PO)MDPs

Toussaint, M., Harmeling, S., Storkey, A.

(934), School of Informatics, University of Edinburgh, December 2006 (techreport)

PDF [BibTex]

PDF [BibTex]


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Minimal Logical Constraint Covering Sets

Sinz, F., Schölkopf, B.

(155), Max Planck Institute for Biological Cybernetics, Tübingen, December 2006 (techreport)

Abstract
We propose a general framework for computing minimal set covers under class of certain logical constraints. The underlying idea is to transform the problem into a mathematical programm under linear constraints. In this sense it can be seen as a natural extension of the vector quantization algorithm proposed by Tipping and Schoelkopf. We show which class of logical constraints can be cast and relaxed into linear constraints and give an algorithm for the transformation.

PDF [BibTex]

PDF [BibTex]


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Prediction of Protein Function from Networks

Shin, H., Tsuda, K.

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

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

Web [BibTex]

Web [BibTex]


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Discrete Regularization

Zhou, D., Schölkopf, B.

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

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

PDF Web [BibTex]

PDF Web [BibTex]


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New Methods for the P300 Visual Speller

Biessmann, F.

(1), (Editors: Hill, J. ), Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, November 2006 (techreport)

PDF [BibTex]

PDF [BibTex]


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Geometric Analysis of Hilbert Schmidt Independence criterion based ICA contrast function

Shen, H., Jegelka, S., Gretton, A.

(PA006080), National ICT Australia, Canberra, Australia, October 2006 (techreport)

Web [BibTex]

Web [BibTex]


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A tutorial on spectral clustering

von Luxburg, U.

(149), Max Planck Institute for Biological Cybernetics, Tübingen, August 2006 (techreport)

Abstract
In recent years, spectral clustering has become one of the most popular modern clustering algorithms. It is simple to implement, can be solved efficiently by standard linear algebra software, and very often outperforms traditional clustering algorithms such as the k-means algorithm. Nevertheless, on the first glance spectral clustering looks a bit mysterious, and it is not obvious to see why it works at all and what it really does. This article is a tutorial introduction to spectral clustering. We describe different graph Laplacians and their basic properties, present the most common spectral clustering algorithms, and derive those algorithms from scratch by several different approaches. Advantages and disadvantages of the different spectral clustering algorithms are discussed.

PDF [BibTex]

PDF [BibTex]


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Towards the Inference of Graphs on Ordered Vertexes

Zien, A., Raetsch, G., Ong, C.

(150), Max Planck Institute for Biological Cybernetics, Tübingen, August 2006 (techreport)

Abstract
We propose novel methods for machine learning of structured output spaces. Specifically, we consider outputs which are graphs with vertices that have a natural order. We consider the usual adjacency matrix representation of graphs, as well as two other representations for such a graph: (a) decomposing the graph into a set of paths, (b) converting the graph into a single sequence of nodes with labeled edges. For each of the three representations, we propose an encoding and decoding scheme. We also propose an evaluation measure for comparing two graphs.

PDF [BibTex]

PDF [BibTex]


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Nonnegative Matrix Approximation: Algorithms and Applications

Sra, S., Dhillon, I.

Univ. of Texas, Austin, May 2006 (techreport)

[BibTex]

[BibTex]


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An Automated Combination of Sequence Motif Kernels for Predicting Protein Subcellular Localization

Zien, A., Ong, C.

(146), Max Planck Institute for Biological Cybernetics, Tübingen, April 2006 (techreport)

Abstract
Protein subcellular localization is a crucial ingredient to many important inferences about cellular processes, including prediction of protein function and protein interactions. While many predictive computational tools have been proposed, they tend to have complicated architectures and require many design decisions from the developer. We propose an elegant and fully automated approach to building a prediction system for protein subcellular localization. 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 further propose a multiclass support vector machine 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 generalize our method to optimize over multiple kernels at the same time. We compare our automated approach to four other predictors on three different datasets.

PDF Web [BibTex]

PDF Web [BibTex]


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Training a Support Vector Machine in the Primal

Chapelle, O.

(147), Max Planck Institute for Biological Cybernetics, Tübingen, April 2006, The version in the "Large Scale Kernel Machines" book is more up to date. (techreport)

Abstract
Most literature on Support Vector Machines (SVMs) concentrate on the dual optimization problem. In this paper, we would like to point out that the primal problem can also be solved efficiently, both for linear and non-linear SVMs, and there is no reason for ignoring it. Moreover, from the primal point of view, new families of algorithms for large scale SVM training can be investigated.

PDF [BibTex]

PDF [BibTex]


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Cross-Validation Optimization for Structured Hessian Kernel Methods

Seeger, M., Chapelle, O.

Max-Planck Institute for Biological Cybernetics, Tübingen, Germany, February 2006 (techreport)

Abstract
We address the problem of learning hyperparameters in kernel methods for which the Hessian of the objective is structured. We propose an approximation to the cross-validation log likelihood whose gradient can be computed analytically, solving the hyperparameter learning problem efficiently through nonlinear optimization. Crucially, our learning method is based entirely on matrix-vector multiplication primitives with the kernel matrices and their derivatives, allowing straightforward specialization to new kernels or to large datasets. When applied to the problem of multi-way classification, our method scales linearly in the number of classes and gives rise to state-of-the-art results on a remote imaging task.

PDF Web [BibTex]

PDF Web [BibTex]


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Combining a Filter Method with SVMs

Lal, T., Chapelle, O., Schölkopf, B.

In Feature Extraction: Foundations and Applications, Studies in Fuzziness and Soft Computing, Vol. 207, pages: 439-446, Studies in Fuzziness and Soft Computing ; 207, (Editors: I Guyon and M Nikravesh and S Gunn and LA Zadeh), Springer, Berlin, Germany, 2006 (inbook)

Abstract
Our goal for the competition (feature selection competition NIPS 2003) was to evaluate the usefulness of simple machine learning techniques. We decided to use the correlation criteria as a feature selection method and Support Vector Machines for the classification part. Here we explain how we chose the regularization parameter C of the SVM, how we determined the kernel parameter and how we estimated the number of features used for each data set. All analyzes were carried out on the training sets of the competition data. We choose the data set Arcene as an example to explain the approach step by step. In our view the point of this competition was the construction of a well performing classifier rather than the systematic analysis of a specific approach. This is why our search for the best classifier was only guided by the described methods and that we deviated from the road map at several occasions. All calculations were done with the software Spider [2004].

PDF DOI [BibTex]

PDF DOI [BibTex]


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Embedded methods

Lal, T., Chapelle, O., Weston, J., Elisseeff, A.

In Feature Extraction: Foundations and Applications, pages: 137-165, Studies in Fuzziness and Soft Computing ; 207, (Editors: Guyon, I. , S. Gunn, M. Nikravesh, L. A. Zadeh), Springer, Berlin, Germany, 2006 (inbook)

Abstract
Embedded methods are a relatively new approach to feature selection. Unlike filter methods, which do not incorporate learning, and wrapper approaches, which can be used with arbitrary classifiers, in embedded methods the features selection part can not be separated from the learning part. Existing embedded methods are reviewed based on a unifying mathematical framework.

PDF Web [BibTex]

PDF Web [BibTex]


Implicit Wiener Series, Part II: Regularised estimation
Implicit Wiener Series, Part II: Regularised estimation

Gehler, P., Franz, M.

(148), Max Planck Institute, 2006 (techreport)

pdf [BibTex]

2000


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Robust ensemble learning

Rätsch, G., Schölkopf, B., Smola, A., Mika, S., Onoda, T., Müller, K.

In Advances in Large Margin Classifiers, pages: 207-220, Neural Information Processing Series, (Editors: AJ Smola and PJ Bartlett and B Schölkopf and D. Schuurmans), MIT Press, Cambridge, MA, USA, October 2000 (inbook)

[BibTex]

2000

[BibTex]


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Entropy numbers for convex combinations and MLPs

Smola, A., Elisseeff, A., Schölkopf, B., Williamson, R.

In Advances in Large Margin Classifiers, pages: 369-387, Neural Information Processing Series, (Editors: AJ Smola and PL Bartlett and B Schölkopf and D Schuurmans), MIT Press, Cambridge, MA,, October 2000 (inbook)

[BibTex]

[BibTex]


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Natural Regularization from Generative Models

Oliver, N., Schölkopf, B., Smola, A.

In Advances in Large Margin Classifiers, pages: 51-60, Neural Information Processing Series, (Editors: AJ Smola and PJ Bartlett and B Schölkopf and D Schuurmans), MIT Press, Cambridge, MA, USA, October 2000 (inbook)

[BibTex]

[BibTex]


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Solving Satisfiability Problems with Genetic Algorithms

Harmeling, S.

In Genetic Algorithms and Genetic Programming at Stanford 2000, pages: 206-213, (Editors: Koza, J. R.), Stanford Bookstore, Stanford, CA, USA, June 2000 (inbook)

Abstract
We show how to solve hard 3-SAT problems using genetic algorithms. Furthermore, we explore other genetic operators that may be useful to tackle 3-SAT problems, and discuss their pros and cons.

PDF [BibTex]

PDF [BibTex]


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Statistical Learning and Kernel Methods

Schölkopf, B.

In CISM Courses and Lectures, International Centre for Mechanical Sciences Vol.431, CISM Courses and Lectures, International Centre for Mechanical Sciences, 431(23):3-24, (Editors: G Della Riccia and H-J Lenz and R Kruse), Springer, Vienna, Data Fusion and Perception, 2000 (inbook)

[BibTex]

[BibTex]


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An Introduction to Kernel-Based Learning Algorithms

Müller, K., Mika, S., Rätsch, G., Tsuda, K., Schölkopf, B.

In Handbook of Neural Network Signal Processing, 4, (Editors: Yu Hen Hu and Jang-Neng Hwang), CRC Press, 2000 (inbook)

[BibTex]

[BibTex]


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The Kernel Trick for Distances

Schölkopf, B.

(MSR-TR-2000-51), Microsoft Research, Redmond, WA, USA, 2000 (techreport)

Abstract
A method is described which, like the kernel trick in support vector machines (SVMs), lets us generalize distance-based algorithms to operate in feature spaces, usually nonlinearly related to the input space. This is done by identifying a class of kernels which can be represented as normbased distances in Hilbert spaces. It turns out that common kernel algorithms, such as SVMs and kernel PCA, are actually really distance based algorithms and can be run with that class of kernels, too. As well as providing a useful new insight into how these algorithms work, the present work can form the basis for conceiving new algorithms.

PDF Web [BibTex]

PDF Web [BibTex]


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Kernel method for percentile feature extraction

Schölkopf, B., Platt, J., Smola, A.

(MSR-TR-2000-22), Microsoft Research, 2000 (techreport)

Abstract
A method is proposed which computes a direction in a dataset such that a speci􏰘ed fraction of a particular class of all examples is separated from the overall mean by a maximal margin􏰤 The pro jector onto that direction can be used for class􏰣speci􏰘c feature extraction􏰤 The algorithm is carried out in a feature space associated with a support vector kernel function􏰢 hence it can be used to construct a large class of nonlinear fea􏰣 ture extractors􏰤 In the particular case where there exists only one class􏰢 the method can be thought of as a robust form of principal component analysis􏰢 where instead of variance we maximize percentile thresholds􏰤 Fi􏰣 nally􏰢 we generalize it to also include the possibility of specifying negative examples􏰤

PDF [BibTex]

PDF [BibTex]

1996


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The DELVE user manual

Rasmussen, CE., Neal, RM., Hinton, GE., van Camp, D., Revow, M., Ghahramani, Z., Kustra, R., Tibshirani, R.

Department of Computer Science, University of Toronto, December 1996 (techreport)

Abstract
This manual describes the preliminary release of the DELVE environment. Some features described here have not yet implemented, as noted. Support for regression tasks is presently somewhat more developed than that for classification tasks. We recommend that you exercise caution when using this version of DELVE for real work, as it is possible that bugs remain in the software. We hope that you will send us reports of any problems you encounter, as well as any other comments you may have on the software or manual, at the e-mail address below. Please mention the version number of the manual and/or the software with any comments you send.

GZIP [BibTex]

1996

GZIP [BibTex]


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Nonlinear Component Analysis as a Kernel Eigenvalue Problem

Schölkopf, B., Smola, A., Müller, K.

(44), Max Planck Institute for Biological Cybernetics Tübingen, December 1996, This technical report has also been published elsewhere (techreport)

Abstract
We describe a new method for performing a nonlinear form of Principal Component Analysis. By the use of integral operator kernel functions, we can efficiently compute principal components in high-dimensional feature spaces, related to input space by some nonlinear map; for instance the space of all possible 5-pixel products in 16 x 16 images. We give the derivation of the method, along with a discussion of other techniques which can be made nonlinear with the kernel approach; and present first experimental results on nonlinear feature extraction for pattern recognition.

[BibTex]

[BibTex]


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Learning View Graphs for Robot Navigation

Franz, M., Schölkopf, B., Georg, P., Mallot, H., Bülthoff, H.

(33), Max Planck Institute for Biological Cybernetics, Tübingen,, July 1996 (techreport)

Abstract
We present a purely vision-based scheme for learning a parsimonious representation of an open environment. Using simple exploration behaviours, our system constructs a graph of appropriately chosen views. To navigate between views connected in the graph, we employ a homing strategy inspired by findings of insect ethology. Simulations and robot experiments demonstrate the feasibility of the proposed approach.

[BibTex]

[BibTex]


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Künstliches Lernen

Schölkopf, B.

In Komplexe adaptive Systeme, Forum für Interdisziplinäre Forschung, 15, pages: 93-117, Forum für interdisziplinäre Forschung, (Editors: S Bornholdt and PH Feindt), Röll, Dettelbach, 1996 (inbook)

[BibTex]

[BibTex]