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2011


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Optimization for Machine Learning

Sra, S., Nowozin, S., Wright, S.

pages: 494, Neural information processing series, MIT Press, Cambridge, MA, USA, December 2011 (book)

Abstract
The interplay between optimization and machine learning is one of the most important developments in modern computational science. Optimization formulations and methods are proving to be vital in designing algorithms to extract essential knowledge from huge volumes of data. Machine learning, however, is not simply a consumer of optimization technology but a rapidly evolving field that is itself generating new optimization ideas. This book captures the state of the art of the interaction between optimization and machine learning in a way that is accessible to researchers in both fields. Optimization approaches have enjoyed prominence in machine learning because of their wide applicability and attractive theoretical properties. The increasing complexity, size, and variety of today's machine learning models call for the reassessment of existing assumptions. This book starts the process of reassessment. It describes the resurgence in novel contexts of established frameworks such as first-order methods, stochastic approximations, convex relaxations, interior-point methods, and proximal methods. It also devotes attention to newer themes such as regularized optimization, robust optimization, gradient and subgradient methods, splitting techniques, and second-order methods. Many of these techniques draw inspiration from other fields, including operations research, theoretical computer science, and subfields of optimization. The book will enrich the ongoing cross-fertilization between the machine learning community and these other fields, and within the broader optimization community.

ei

Web [BibTex]

2011


Web [BibTex]


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Bayesian Time Series Models

Barber, D., Cemgil, A., Chiappa, S.

pages: 432, Cambridge University Press, Cambridge, UK, August 2011 (book)

ei

[BibTex]

[BibTex]


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PAC-Bayesian Analysis of Martingales and Multiarmed Bandits

Seldin, Y., Laviolette, F., Shawe-Taylor, J., Peters, J., Auer, P.

Max Planck Institute for Biological Cybernetics, Tübingen, Germany, May 2011 (techreport)

Abstract
We present two alternative ways to apply PAC-Bayesian analysis to sequences of dependent random variables. The first is based on a new lemma that enables to bound expectations of convex functions of certain dependent random variables by expectations of the same functions of independent Bernoulli random variables. This lemma provides an alternative tool to Hoeffding-Azuma inequality to bound concentration of martingale values. Our second approach is based on integration of Hoeffding-Azuma inequality with PAC-Bayesian analysis. We also introduce a way to apply PAC-Bayesian analysis in situation of limited feedback. We combine the new tools to derive PAC-Bayesian generalization and regret bounds for the multiarmed bandit problem. Although our regret bound is not yet as tight as state-of-the-art regret bounds based on other well-established techniques, our results significantly expand the range of potential applications of PAC-Bayesian analysis and introduce a new analysis tool to reinforcement learning and many other fields, where martingales and limited feedback are encountered.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Non-stationary Correction of Optical Aberrations

Schuler, C., Hirsch, M., Harmeling, S., Schölkopf, B.

(1), Max Planck Institute for Intelligent Systems, Tübingen, Germany, May 2011 (techreport)

Abstract
Taking a sharp photo at several megapixel resolution traditionally relies on high grade lenses. In this paper, we present an approach to alleviate image degradations caused by imperfect optics. We rely on a calibration step to encode the optical aberrations in a space-variant point spread function and obtain a corrected image by non-stationary deconvolution. By including the Bayer array in our image formation model, we can perform demosaicing as part of the deconvolution.

ei

PDF [BibTex]

PDF [BibTex]


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Multiple Kernel Learning: A Unifying Probabilistic Viewpoint

Nickisch, H., Seeger, M.

Max Planck Institute for Biological Cybernetics, March 2011 (techreport)

Abstract
We present a probabilistic viewpoint to multiple kernel learning unifying well-known regularised risk approaches and recent advances in approximate Bayesian inference relaxations. The framework proposes a general objective function suitable for regression, robust regression and classification that is lower bound of the marginal likelihood and contains many regularised risk approaches as special cases. Furthermore, we derive an efficient and provably convergent optimisation algorithm.

ei

Web [BibTex]

Web [BibTex]


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Multiple testing, uncertainty and realistic pictures

Langovoy, M., Wittich, O.

(2011-004), EURANDOM, Technische Universiteit Eindhoven, January 2011 (techreport)

Abstract
We study statistical detection of grayscale objects in noisy images. The object of interest is of unknown shape and has an unknown intensity, that can be varying over the object and can be negative. No boundary shape constraints are imposed on the object, only a weak bulk condition for the object's interior is required. We propose an algorithm that can be used to detect grayscale objects of unknown shapes in the presence of nonparametric noise of unknown level. Our algorithm is based on a nonparametric multiple testing procedure. We establish the limit of applicability of our method via an explicit, closed-form, non-asymptotic and nonparametric consistency bound. This bound is valid for a wide class of nonparametric noise distributions. We achieve this by proving an uncertainty principle for percolation on nite lattices.

ei

PDF [BibTex]

PDF [BibTex]


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Handbook of Statistical Bioinformatics

Lu, H., Schölkopf, B., Zhao, H.

pages: 627, Springer Handbooks of Computational Statistics, Springer, Berlin, Germany, 2011 (book)

ei

Web DOI [BibTex]

Web DOI [BibTex]


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Nonconvex proximal splitting: batch and incremental algorithms

Sra, S.

(2), Max Planck Institute for Intelligent Systems, Tübingen, Germany, 2011 (techreport)

Abstract
Within the unmanageably large class of nonconvex optimization, we consider the rich subclass of nonsmooth problems having composite objectives (this includes the extensively studied convex, composite objective problems as a special case). For this subclass, we introduce a powerful, new framework that permits asymptotically non-vanishing perturbations. In particular, we develop perturbation-based batch and incremental (online like) nonconvex proximal splitting algorithms. To our knowledge, this is the rst time that such perturbation-based nonconvex splitting algorithms are being proposed and analyzed. While the main contribution of the paper is the theoretical framework, we complement our results by presenting some empirical results on matrix factorization.

ei

PDF [BibTex]

PDF [BibTex]


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Preparation of high-efficiency nanostructures of crystalline silicon at low temperatures, as catalyzed by metals: The decisive role of interface thermodynamics

Wang, Zumin, Jeurgens, Lars P. H., Mittemeijer, Eric J.

2011 (mpi_year_book)

Abstract
Metals may help to convert semiconductors from a disordered (amorphous) to an ordered (crystalline) form at low temperatures. A general, quantitative model description has been developed on the basis of interface thermodynamics, which provides fundamental understanding of such so-called metal-induced crystallization (MIC) of amorphous semiconductors. This fundamental understanding can allow the low-temperature (< 200 ºC) manufacturing of high-efficiency solar cells and crystalline-Si-based nanostructures on cheap and flexible substrates such as glasses, plastics and possibly even papers.

link (url) [BibTex]


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The sweet coat of living cells – from supramolecular organization and dynamics to biological function

Richter, Ralf

2011 (mpi_year_book)

Abstract
Many biological cells endow themselves with a sugar-rich coat that plays a key role in the protection of the cell and in structuring and communicating with its environment. An outstanding property of these pericellular coats is their dynamic self-organization into strongly hydrated and gel-like meshworks. Tailor-made model systems that are constructed from the molecular building blocks of pericellular coats can help to understand how the coats function.

link (url) [BibTex]

2006


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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.

ei

PDF [BibTex]

2006


PDF [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)

ei

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)

ei

Web [BibTex]

Web [BibTex]


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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.

ei

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.

ei

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.

ei

PDF [BibTex]

PDF [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.

ei

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.

ei

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.

ei

PDF Web [BibTex]

PDF Web [BibTex]


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Gaussian Processes for Machine Learning

Rasmussen, CE., Williams, CKI.

pages: 248, Adaptive Computation and Machine Learning, MIT Press, Cambridge, MA, USA, January 2006 (book)

Abstract
Gaussian processes (GPs) provide a principled, practical, probabilistic approach to learning in kernel machines. GPs have received increased attention in the machine-learning community over the past decade, and this book provides a long-needed systematic and unified treatment of theoretical and practical aspects of GPs in machine learning. The treatment is comprehensive and self-contained, targeted at researchers and students in machine learning and applied statistics. The book deals with the supervised-learning problem for both regression and classification, and includes detailed algorithms. A wide variety of covariance (kernel) functions are presented and their properties discussed. Model selection is discussed both from a Bayesian and a classical perspective. Many connections to other well-known techniques from machine learning and statistics are discussed, including support-vector machines, neural networks, splines, regularization networks, relevance vector machines and others. Theoretical issues including learning curves and the PAC-Bayesian framework are treated, and several approximation methods for learning with large datasets are discussed. The book contains illustrative examples and exercises, and code and datasets are available on the Web. Appendixes provide mathematical background and a discussion of Gaussian Markov processes.

ei

Web [BibTex]

Web [BibTex]


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Statistical Learning of LQG controllers

Theodorou, E.

Technical Report-2006-1, Computational Action and Vision Lab University of Minnesota, 2006, clmc (techreport)

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PDF [BibTex]

PDF [BibTex]