A New Clustering Algorithm Based on Pattern Extraction in Molecular Fingerprints

In this paper an algorithm for the extraction of patterns in chemical fingerprints is described. As input this algorithm uses a fingerprint representation of the molecule dataset, generating a group of consistent disjoint patterns also represented as binary arrays, which are satisfied by not necessarily disjoint subsets of molecules in the dataset. The algorithm has been completely developed in Java, allowing its integration into free applications of computational chemistry. The algorithm has been tested, and the use of the patterns instead of the original fingerprints has presented an increase in the efficiency in the processes of datasets classification. The results show that it is possible to reconstruct the original fingerprints using the final group of patterns that characterize all the elements of the dataset

A Topology-Based Approach to Computing Neighborhood-of-Interest Points Using the Morse Complex

Abstract A central problem in image processing and computer vision is the computation of corresponding interest points in a given set of images. Usually, interest points are considered as independent elements described by some local information. Due to the limitations of such an approach, many incorrect correspondences can be obtained. A specific contribution of this paper is the proposition of a topological operator, called Local Morse Context (LMC), computed over Morse complexes, introduced as a way of efficiently computing neighborhoods of interest points to explore the structural information in images. The LMC is used in the development of a matching algorithm, that helps reducing the number of incorrect matches, and obtaining a confidence measure of whether a correspondence is correct or incorrect. The approach is designed and tested for the correspondence of narrow-baseline synthetic and specially challenging underwater stereo pairs of images, for which traditional methods present difficulties for finding correct correspondences

Multiple graph matching and applications

En aplicaciones de reconocimiento de patrones, los grafos con atributos son en gran medida apropiados. Normalmente, los vértices de los grafos representan partes locales de los objetos i las aristas relaciones entre estas partes locales. No obstante, estas ventajas vienen juntas con un severo inconveniente, la distancia entre dos grafos no puede ser calculada en un tiempo polinómico. Considerando estas características especiales el uso de los prototipos de grafos es necesariamente omnipresente. Las aplicaciones de los prototipos de grafos son extensas, siendo las más habituales clustering, clasificación, reconocimiento de objetos, caracterización de objetos i bases de datos de grafos entre otras. A pesar de la diversidad de aplicaciones de los prototipos de grafos, el objetivo del mismo es equivalente en todas ellas, la representación de un conjunto de grafos. Para construir un prototipo de un grafo todos los elementos del conjunto de enteramiento tienen que ser etiquetados comúnmente. Este etiquetado común consiste en identificar que nodos de que grafos representan el mismo tipo de información en el conjunto de entrenamiento. Una vez este etiquetaje común esta hecho, los atributos locales pueden ser combinados i el prototipo construido. Hasta ahora los algoritmos del estado del arte para calcular este etiquetaje común mancan de efectividad o bases teóricas. En esta tesis, describimos formalmente el problema del etiquetaje global i mostramos una taxonomía de los tipos de algoritmos existentes. Además, proponemos seis nuevos algoritmos para calcular soluciones aproximadas al problema del etiquetaje común. La eficiencia de los algoritmos propuestos es evaluada en diversas bases de datos reales i sintéticas. En la mayoría de experimentos realizados los algoritmos propuestos dan mejores resultados que los existentes en el estado del arte.In pattern recognition, the use of graphs is, to a great extend, appropriate and advantageous. Usually, vertices of the graph represent local parts of an object while edges represent relations between these local parts. However, its advantages come together with a sever drawback, the distance between two graph cannot be optimally computed in polynomial time. Taking into account this special characteristic the use of graph prototypes becomes ubiquitous. The applicability of graphs prototypes is extensive, being the most common applications clustering, classification, object characterization and graph databases to name some. However, the objective of a graph prototype is equivalent to all applications, the representation of a set of graph. To synthesize a prototype all elements of the set must be mutually labeled. This mutual labeling consists in identifying which nodes of which graphs represent the same information in the training set. Once this mutual labeling is done the set can be characterized and combined to create a graph prototype. We call this initial labeling a common labeling. Up to now, all state of the art algorithms to compute a common labeling lack on either performance or theoretical basis. In this thesis, we formally describe the common labeling problem and we give a clear taxonomy of the types of algorithms. Six new algorithms that rely on different techniques are described to compute a suboptimal solution to the common labeling problem. The performance of the proposed algorithms is evaluated using an artificial and several real datasets. In addition, the algorithms have been evaluated on several real applications. These applications include graph databases and group-wise image registration. In most of the tests and applications evaluated the presented algorithms have showed a great improvement in comparison to state of the art applications

Vers un système omni-langage de recherche de mots dans des bases de documents écrits homogènes

The objective of our thesis is to build an omni-language word retrieval system for scanned documents. We place ourselves in the context where the content of documents is homogenous and the prior knowledge about the document (the language, the writer, the writing style, etc.) is not known. Due to this system, user can freely and intuitively compose his/her query. With the query created by the user, he/she can retrieve words in homogenous documents of any language, without finding an occurrence of the word to search. The key of our proposed system is the invariants, which are writing pieces that frequently appeared in the collection of documents. The invariants can be used in query making process in which the user selects and composes appropriate invariants to make the query. They can be also used as structural descriptor to characterize word images in the retrieval process. We introduce in this thesis our method for automatically extracting invariants from document collection, our evaluation method for evaluating the quality of invariants and invariant’s applications in the query making process as well as in the retrieval process.Notre thèse a pour objectif la construction d’un système omni-langage de recherche de mots dans les documents numérisés. Nous nous plaçons dans le contexte où le contenu du document est homogène (ce qui est le cas pour les documents anciens où l’écriture est souvent bien soignée et mono-scripteur) et la connaissance préalable du document (le langage, le scripteur, le type d’écriture, le tampon, etc.) n’est pas connue. Grâce à ce système, l'utilisateur peut composer librement et intuitivement sa requête et il peut rechercher des mots dans des documents homogènes de n’importe quel langage, sans détecter préalablement une occurrence du mot à rechercher. Le point clé du système que nous proposons est les invariants, qui sont les formes les plus fréquentes dans la collection de documents. Pour le requêtage, l’utilisateur pourra créer le mot à rechercher en utilisant les invariants (la composition des requêtes), grâce à une interface visuelle. Pour la recherche des mots, les invariants peuvent servir à construire des signatures structurelles pour représenter les images de mots. Nous présentons dans cette thèse la méthode pour extraire automatiquement les invariants à partir de la collection de documents, la méthode pour évaluer la qualité des invariants ainsi que les applications des invariants à la recherche de mots et à la composition des requêtes