Model-based clustering in gene expression microarrays: An application to breast cancer data

In microarray studies, the application of clustering techniques is often used to derive meaningful insights into the data. In the past, hierarchical methods have been the primary clustering tool employed to perform this task. The hierarchical algorithms have been mainly applied heuristically to these cluster analysis problems. Further, a major limitation of these methods is their inability to determine the number of clusters. Thus there is a need for a model-based approach to these. clustering problems. To this end, McLachlan et al. [7] developed a mixture model-based algorithm (EMMIX-GENE) for the clustering of tissue samples. To further investigate the EMMIX-GENE procedure as a model-based -approach, we present a case study involving the application of EMMIX-GENE to the breast cancer data as studied recently in van 't Veer et al. [10]. Our analysis considers the problem of clustering the tissue samples on the basis of the genes which is a non-standard problem because the number of genes greatly exceed the number of tissue samples. We demonstrate how EMMIX-GENE can be useful in reducing the initial set of genes down to a more computationally manageable size. The results from this analysis also emphasise the difficulty associated with the task of separating two tissue groups on the basis of a particular subset of genes. These results also shed light on why supervised methods have such a high misallocation error rate for the breast cancer data.

Mapping the royal road and other hierarchical functions

In this paper we present a technique for visualising hierarchical and symmetric, multimodal fitness functions that have been investigated in the evolutionary computation literature. The focus of this technique is on landscapes in moderate-dimensional, binary spaces (i.e., fitness functions defined over {0, 1}(n), for n less than or equal to 16). The visualisation approach involves an unfolding of the hyperspace into a two-dimensional graph, whose layout represents the topology of the space using a recursive relationship, and whose shading defines the shape of the cost surface defined on the space. Using this technique we present case-study explorations of three fitness functions: royal road, hierarchical-if-and-only-if (H-IFF), and hierarchically decomposable functions (HDF). The visualisation approach provides an insight into the properties of these functions, particularly with respect to the size and shape of the basins of attraction around each of the local optima.

Consistency and Context Management in a Multi Agent Belief Revision Testbed

Multi-agent architectures are well suited for complex inherently distributed problem solving domains. From the many challenging aspects that arise within this framework, a crucial one emerges: how to incorporate dynamic and conflicting agent beliefs? While the belief revision activity in a single agent scenario is concentrated on incorporating new information while preserving consistency, in a multi-agent system it also has to deal with possible conflicts between the agents perspectives. To provide an adequate framework, each agent, built as a combination of an assumption based belief revision system and a cooperation layer, was enriched with additional features: a distributed search control mechanism allowing dynamic context management, and a set of different distributed consistency methodologies. As a result, a Distributed Belief Revision Testbed (DiBeRT) was developed. This paper is a preliminary report presenting some of DiBeRT contributions: a concise representation of external beliefs; a simple and innovative methodology to achieve distributed context management; and a reduced inter-agent data exchange format.

A Real Time Vision System for Autonomous Systems: Characterization during a Middle Size Match

in RoboCup 2007: Robot Soccer World Cup XI

S-system parameter estimation for noisy metabolic profiles using newton-flow analysis.

Biochemical systems are commonly modelled by systems of ordinary differential equations (ODEs). A particular class of such models called S-systems have recently gained popularity in biochemical system modelling. The parameters of an S-system are usually estimated from time-course profiles. However, finding these estimates is a difficult computational problem. Moreover, although several methods have been recently proposed to solve this problem for ideal profiles, relatively little progress has been reported for noisy profiles. We describe a special feature of a Newton-flow optimisation problem associated with S-system parameter estimation. This enables us to significantly reduce the search space, and also lends itself to parameter estimation for noisy data. We illustrate the applicability of our method by applying it to noisy time-course data synthetically produced from previously published 4- and 30-dimensional S-systems. In addition, we propose an extension of our method that allows the detection of network topologies for small S-systems. We introduce a new method for estimating S-system parameters from time-course profiles. We show that the performance of this method compares favorably with competing methods for ideal profiles, and that it also allows the determination of parameters for noisy profiles.

Elucidação estrutural de substâncias orgânicas com auxílio de computador: evoluções recentes

The development of new tools for chemoinformatics, allied to the use of different algorithms and computer programmes for structure elucidation of organic compounds, is growing fast worldwide. Massive efforts in research and development are currently being pursued both by academia and the so-called chemistry software development companies. The demystification of this environment provoked by the availability of software packages and a vast array of publications exert a positive impact on chemistry. In this work, an overview concerning the more classical approaches as well as new strategies on computer-based tools for structure elucidation of organic compounds is presented. Historical background is also taken into account since these techniques began to develop around four decades ago. Attention will be paid to companies which develop, distribute or commercialize software as well as web-based and open access tools which are currently available to chemists.

Model-Based Matching by Linear Combinations of Prototypes

We describe a method for modeling object classes (such as faces) using 2D example images and an algorithm for matching a model to a novel image. The object class models are "learned'' from example images that we call prototypes. In addition to the images, the pixelwise correspondences between a reference prototype and each of the other prototypes must also be provided. Thus a model consists of a linear combination of prototypical shapes and textures. A stochastic gradient descent algorithm is used to match a model to a novel image by minimizing the error between the model and the novel image. Example models are shown as well as example matches to novel images. The robustness of the matching algorithm is also evaluated. The technique can be used for a number of applications including the computation of correspondence between novel images of a certain known class, object recognition, image synthesis and image compression.

Model-Based Matching of Line Drawings by Linear Combinations of Prototypes

We describe a technique for finding pixelwise correspondences between two images by using models of objects of the same class to guide the search. The object models are 'learned' from example images (also called prototypes) of an object class. The models consist of a linear combination ofsprototypes. The flow fields giving pixelwise correspondences between a base prototype and each of the other prototypes must be given. A novel image of an object of the same class is matched to a model by minimizing an error between the novel image and the current guess for the closest modelsimage. Currently, the algorithm applies to line drawings of objects. An extension to real grey level images is discussed.

A Survey on Graphical Methods for Classification Predictive Performance Evaluation

Predictive performance evaluation is a fundamental issue in design, development, and deployment of classification systems. As predictive performance evaluation is a multidimensional problem, single scalar summaries such as error rate, although quite convenient due to its simplicity, can seldom evaluate all the aspects that a complete and reliable evaluation must consider. Due to this, various graphical performance evaluation methods are increasingly drawing the attention of machine learning, data mining, and pattern recognition communities. The main advantage of these types of methods resides in their ability to depict the trade-offs between evaluation aspects in a multidimensional space rather than reducing these aspects to an arbitrarily chosen (and often biased) single scalar measure. Furthermore, to appropriately select a suitable graphical method for a given task, it is crucial to identify its strengths and weaknesses. This paper surveys various graphical methods often used for predictive performance evaluation. By presenting these methods in the same framework, we hope this paper may shed some light on deciding which methods are more suitable to use in different situations.

Efficiency issues of evolutionary k-means

One of the top ten most influential data mining algorithms, k-means, is known for being simple and scalable. However, it is sensitive to initialization of prototypes and requires that the number of clusters be specified in advance. This paper shows that evolutionary techniques conceived to guide the application of k-means can be more computationally efficient than systematic (i.e., repetitive) approaches that try to get around the above-mentioned drawbacks by repeatedly running the algorithm from different configurations for the number of clusters and initial positions of prototypes. To do so, a modified version of a (k-means based) fast evolutionary algorithm for clustering is employed. Theoretical complexity analyses for the systematic and evolutionary algorithms under interest are provided. Computational experiments and statistical analyses of the results are presented for artificial and text mining data sets. (C) 2010 Elsevier B.V. All rights reserved.

OntoMap: an ontology-based architecture to perform the semantic mapping between an interlingua and software components

This paper is about the use of natural language to communicate with computers. Most researches that have pursued this goal consider only requests expressed in English. A way to facilitate the use of several languages in natural language systems is by using an interlingua. An interlingua is an intermediary representation for natural language information that can be processed by machines. We propose to convert natural language requests into an interlingua [universal networking language (UNL)] and to execute these requests using software components. In order to achieve this goal, we propose OntoMap, an ontology-based architecture to perform the semantic mapping between UNL sentences and software components. OntoMap also performs component search and retrieval based on semantic information formalized in ontologies and rules.

On the efficiency of evolutionary fuzzy clustering

This paper tackles the problem of showing that evolutionary algorithms for fuzzy clustering can be more efficient than systematic (i.e. repetitive) approaches when the number of clusters in a data set is unknown. To do so, a fuzzy version of an Evolutionary Algorithm for Clustering (EAC) is introduced. A fuzzy cluster validity criterion and a fuzzy local search algorithm are used instead of their hard counterparts employed by EAC. Theoretical complexity analyses for both the systematic and evolutionary algorithms under interest are provided. Examples with computational experiments and statistical analyses are also presented.

Generating Segmented Quality Meshes from Images

Techniques devoted to generating triangular meshes from intensity images either take as input a segmented image or generate a mesh without distinguishing individual structures contained in the image. These facts may cause difficulties in using such techniques in some applications, such as numerical simulations. In this work we reformulate a previously developed technique for mesh generation from intensity images called Imesh. This reformulation makes Imesh more versatile due to an unified framework that allows an easy change of refinement metric, rendering it effective for constructing meshes for applications with varied requirements, such as numerical simulation and image modeling. Furthermore, a deeper study about the point insertion problem and the development of geometrical criterion for segmentation is also reported in this paper. Meshes with theoretical guarantee of quality can also be obtained for each individual image structure as a post-processing step, a characteristic not usually found in other methods. The tests demonstrate the flexibility and the effectiveness of the approach.

Topological triangle characterization with application to object detection from images

A novel mathematical framework inspired on Morse Theory for topological triangle characterization in 2D meshes is introduced that is useful for applications involving the creation of mesh models of objects whose geometry is not known a priori. The framework guarantees a precise control of topological changes introduced as a result of triangle insertion/removal operations and enables the definition of intuitive high-level operators for managing the mesh while keeping its topological integrity. An application is described in the implementation of an innovative approach for the detection of 2D objects from images that integrates the topological control enabled by geometric modeling with traditional image processing techniques. (C) 2008 Published by Elsevier B.V.

EXPLOITING A GENERIC APPROACH TO CONSTRUCT COMPONENT-BASED SYSTEMS SOFTWARE IN LINUX ENVIRONMENTS

Component-based software engineering has recently emerged as a promising solution to the development of system-level software. Unfortunately, current approaches are limited to specific platforms and domains. This lack of generality is particularly problematic as it prevents knowledge sharing and generally drives development costs up. In the past, we have developed a generic approach to component-based software engineering for system-level software called OpenCom. In this paper, we present OpenComL an instantiation of OpenCom to Linux environments and show how it can be profiled to meet a range of system-level software in Linux environments. For this, we demonstrate its application to constructing a programmable router platform and a middleware for parallel environments.