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2003


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Feature selection and transduction for prediction of molecular bioactivity for drug design

Weston, J., Perez-Cruz, F., Bousquet, O., Chapelle, O., Elisseeff, A., Schölkopf, B.

Bioinformatics, 19(6):764-771, April 2003 (article)

Abstract
Motivation: In drug discovery a key task is to identify characteristics that separate active (binding) compounds from inactive (non-binding) ones. An automated prediction system can help reduce resources necessary to carry out this task. Results: Two methods for prediction of molecular bioactivity for drug design are introduced and shown to perform well in a data set previously studied as part of the KDD (Knowledge Discovery and Data Mining) Cup 2001. The data is characterized by very few positive examples, a very large number of features (describing three-dimensional properties of the molecules) and rather different distributions between training and test data. Two techniques are introduced specifically to tackle these problems: a feature selection method for unbalanced data and a classifier which adapts to the distribution of the the unlabeled test data (a so-called transductive method). We show both techniques improve identification performance and in conjunction provide an improvement over using only one of the techniques. Our results suggest the importance of taking into account the characteristics in this data which may also be relevant in other problems of a similar type.

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Web [BibTex]


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Rademacher and Gaussian averages in Learning Theory

Bousquet, O.

Universite de Marne-la-Vallee, March 2003 (talk)

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PDF [BibTex]

PDF [BibTex]


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Use of the Zero-Norm with Linear Models and Kernel Methods

Weston, J., Elisseeff, A., Schölkopf, B., Tipping, M.

Journal of Machine Learning Research, 3, pages: 1439-1461, March 2003 (article)

Abstract
We explore the use of the so-called zero-norm of the parameters of linear models in learning. Minimization of such a quantity has many uses in a machine learning context: for variable or feature selection, minimizing training error and ensuring sparsity in solutions. We derive a simple but practical method for achieving these goals and discuss its relationship to existing techniques of minimizing the zero-norm. The method boils down to implementing a simple modification of vanilla SVM, namely via an iterative multiplicative rescaling of the training data. Applications we investigate which aid our discussion include variable and feature selection on biological microarray data, and multicategory classification.

ei

PDF PostScript PDF [BibTex]

PDF PostScript PDF [BibTex]


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Introduction: Robots with Cognition?

Franz, MO.

6, pages: 38, (Editors: H.H. Bülthoff, K.R. Gegenfurtner, H.A. Mallot, R. Ulrich, F.A. Wichmann), 6. T{\"u}binger Wahrnehmungskonferenz (TWK), February 2003 (talk)

Abstract
Using robots as models of cognitive behaviour has a long tradition in robotics. Parallel to the historical development in cognitive science, one observes two major, subsequent waves in cognitive robotics. The first is based on ideas of classical, cognitivist Artificial Intelligence (AI). According to the AI view of cognition as rule-based symbol manipulation, these robots typically try to extract symbolic descriptions of the environment from their sensors that are used to update a common, global world representation from which, in turn, the next action of the robot is derived. The AI approach has been successful in strongly restricted and controlled environments requiring well-defined tasks, e.g. in industrial assembly lines. AI-based robots mostly failed, however, in the unpredictable and unstructured environments that have to be faced by mobile robots. This has provoked the second wave in cognitive robotics which tries to achieve cognitive behaviour as an emergent property from the interaction of simple, low-level modules. Robots of the second wave are called animats as their architecture is designed to closely model aspects of real animals. Using only simple reactive mechanisms and Hebbian-type or evolutionary learning, the resulting animats often outperformed the highly complex AI-based robots in tasks such as obstacle avoidance, corridor following etc. While successful in generating robust, insect-like behaviour, typical animats are limited to stereotyped, fixed stimulus-response associations. If one adopts the view that cognition requires a flexible, goal-dependent choice of behaviours and planning capabilities (H.A. Mallot, Kognitionswissenschaft, 1999, 40-48) then it appears that cognitive behaviour cannot emerge from a collection of purely reactive modules. It rather requires environmentally decoupled structures that work without directly engaging the actions that it is concerned with. This poses the current challenge to cognitive robotics: How can we build cognitive robots that show the robustness and the learning capabilities of animats without falling back into the representational paradigm of AI? The speakers of the symposium present their approaches to this question in the context of robot navigation and sensorimotor learning. In the first talk, Prof. Helge Ritter introduces a robot system for imitation learning capable of exploring various alternatives in simulation before actually performing a task. The second speaker, Angelo Arleo, develops a model of spatial memory in rat navigation based on his electrophysiological experiments. He validates the model on a mobile robot which, in some navigation tasks, shows a performance comparable to that of the real rat. A similar model of spatial memory is used to investigate the mechanisms of territory formation in a series of robot experiments presented by Prof. Hanspeter Mallot. In the last talk, we return to the domain of sensorimotor learning where Ralf M{\"o}ller introduces his approach to generate anticipatory behaviour by learning forward models of sensorimotor relationships.

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Web [BibTex]

Web [BibTex]


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An Introduction to Variable and Feature Selection.

Guyon, I., Elisseeff, A.

Journal of Machine Learning, 3, pages: 1157-1182, 2003 (article)

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[BibTex]

[BibTex]


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New Approaches to Statistical Learning Theory

Bousquet, O.

Annals of the Institute of Statistical Mathematics, 55(2):371-389, 2003 (article)

Abstract
We present new tools from probability theory that can be applied to the analysis of learning algorithms. These tools allow to derive new bounds on the generalization performance of learning algorithms and to propose alternative measures of the complexity of the learning task, which in turn can be used to derive new learning algorithms.

ei

PostScript [BibTex]

PostScript [BibTex]