The chaotic dynamics of comets and the problems of the Oort cloud

The dynamic properties of comets entering the planetary zone from the Oort cloud are discussed. Even a very slight influence of the large planets can trigger stochastic cometary dynamics. Multiple interactions of comets with the large planets produce diffusion of the parameters of cometary orbits and a mean increase in the semi-major axis of comets. Comets are lifted towards the Oort cloud, where collisions with stars begin to play a substantial role. The transport of comets differs greatly from the customary law of diffusion and noticeably alter cometary distribution

A path following algorithm for the graph matching problem

We propose a convex-concave programming approach for the labeled weighted graph matching problem. The convex-concave programming formulation is obtained by rewriting the weighted graph matching problem as a least-square problem on the set of permutation matrices and relaxing it to two different optimization problems: a quadratic convex and a quadratic concave optimization problem on the set of doubly stochastic matrices. The concave relaxation has the same global minimum as the initial graph matching problem, but the search for its global minimum is also a hard combinatorial problem. We therefore construct an approximation of the concave problem solution by following a solution path of a convex-concave problem obtained by linear interpolation of the convex and concave formulations, starting from the convex relaxation. This method allows to easily integrate the information on graph label similarities into the optimization problem, and therefore to perform labeled weighted graph matching. The algorithm is compared with some of the best performing graph matching methods on four datasets: simulated graphs, QAPLib, retina vessel images and handwritten chinese characters. In all cases, the results are competitive with the state-of-the-art.Comment: 23 pages, 13 figures,typo correction, new results in sections 4,5,

Many-to-Many Graph Matching: a Continuous Relaxation Approach

Graphs provide an efficient tool for object representation in various computer vision applications. Once graph-based representations are constructed, an important question is how to compare graphs. This problem is often formulated as a graph matching problem where one seeks a mapping between vertices of two graphs which optimally aligns their structure. In the classical formulation of graph matching, only one-to-one correspondences between vertices are considered. However, in many applications, graphs cannot be matched perfectly and it is more interesting to consider many-to-many correspondences where clusters of vertices in one graph are matched to clusters of vertices in the other graph. In this paper, we formulate the many-to-many graph matching problem as a discrete optimization problem and propose an approximate algorithm based on a continuous relaxation of the combinatorial problem. We compare our method with other existing methods on several benchmark computer vision datasets.Comment: 1

Geo2Tag performance evaluation

Today volume of the Internet traffic growths very fast. This trend affects Web-application, with the number of users and amount of traffic also increasing their workload. That's why developers need to achieve maximum performance on existing hardware. Software optimization allows solving this problem. Geo2Tag is an open source platform for location-based services (LBS), which provide web interfaces for them. Initially, it was developed as an educational project which goal was to give students experience in open source projects development. But now number of supported functions and number of users (users of LBS and developers) for platform is increasing, and in this situation platform performance is not enough. This paper describes Geo2Tag platform performance evaluation and optimization

A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction

<p>Abstract</p> <p>Background</p> <p>Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug design. A classical assumption in structural biology is that proteins with similar 3D structures have related molecular functions, and therefore may bind similar ligands. However, proteins that do not display any overall sequence or structure similarity may also bind similar ligands if they contain similar binding sites. Quantitatively assessing the similarity between binding sites may therefore be useful to propose new ligands for a given pocket, based on those known for similar pockets.</p> <p>Results</p> <p>We propose a new method to quantify the similarity between binding pockets, and explore its relevance for ligand prediction. We represent each pocket by a cloud of atoms, and assess the similarity between two pockets by aligning their atoms in the 3D space and comparing the resulting configurations with a convolution kernel. Pocket alignment and comparison is possible even when the corresponding proteins share no sequence or overall structure similarities. In order to predict ligands for a given target pocket, we compare it to an ensemble of pockets with known ligands to identify the most similar pockets. We discuss two criteria to evaluate the performance of a binding pocket similarity measure in the context of ligand prediction, namely, area under ROC curve (AUC scores) and classification based scores. We show that the latter is better suited to evaluate the methods with respect to ligand prediction, and demonstrate the relevance of our new binding site similarity compared to existing similarity measures.</p> <p>Conclusions</p> <p>This study demonstrates the relevance of the proposed method to identify ligands binding to known binding pockets. We also provide a new benchmark for future work in this field. The new method and the benchmark are available at <url>http://cbio.ensmp.fr/paris/</url>.</p

Geocontext extraction methods analysis for determining the new approach to automatic semantic places recognition

Goal of this paper is to determine actual trends in geocontext extraction methods and to understand which types of geocontext information are the most interesting for users. For this purposes comparison of recent researches about geocontext analysis was done. Researches were compared by the type of achieved result, used formalism, source data and limitations. As the main result of comparison new approach for automatic semantic places recognition was proposed. This approach is based on geotags markup with semantic user-defined tags. The solution allows extracting information (coordinates and a set of corresponding semantic tags on the natural language) about locations which are interesting for the location-based services users. The main advantage of the approach is its simplicity - the method does not rely on any syntax analysis algorithms during the semantic labeling stage. For illustrating the approach an example of the general purpose accidents monitoring service for the Geo2Tag platform was described

Global alignment of protein-protein interaction networks by graph matching methods

Aligning protein-protein interaction (PPI) networks of different species has drawn a considerable interest recently. This problem is important to investigate evolutionary conserved pathways or protein complexes across species, and to help in the identification of functional orthologs through the detection of conserved interactions. It is however a difficult combinatorial problem, for which only heuristic methods have been proposed so far. We reformulate the PPI alignment as a graph matching problem, and investigate how state-of-the-art graph matching algorithms can be used for that purpose. We differentiate between two alignment problems, depending on whether strict constraints on protein matches are given, based on sequence similarity, or whether the goal is instead to find an optimal compromise between sequence similarity and interaction conservation in the alignment. We propose new methods for both cases, and assess their performance on the alignment of the yeast and fly PPI networks. The new methods consistently outperform state-of-the-art algorithms, retrieving in particular 78% more conserved interactions than IsoRank for a given level of sequence similarity. Availability:http://cbio.ensmp.fr/proj/graphm\_ppi/, additional data and codes are available upon request. Contact: [email protected]: Preprint versio