Application of Approximate Pattern Matching in Two Dimensional Spaces to Grid Layout for Biochemical Network Maps

Background For visualizing large-scale biochemical network maps, it is important to calculate the coordinates of molecular nodes quickly and to enhance the understanding or traceability of them. The grid layout is effective in drawing compact, orderly, balanced network maps with node label spaces, but existing grid layout algorithms often require a high computational cost because they have to consider complicated positional constraints through the entire optimization process. Results We propose a hybrid grid layout algorithm that consists of a non-grid, fast layout (preprocessor) algorithm and an approximate pattern matching algorithm that distributes the resultant preprocessed nodes on square grid points. To demonstrate the feasibility of the hybrid layout algorithm, it is characterized in terms of the calculation time, numbers of edge-edge and node-edge crossings, relative edge lengths, and F-measures. The proposed algorithm achieves outstanding performances compared with other existing grid layouts. Conclusions Use of an approximate pattern matching algorithm quickly redistributes the laid-out nodes by fast, non-grid algorithms on the square grid points, while preserving the topological relationships among the nodes. The proposed algorithm is a novel use of the pattern matching, thereby providing a breakthrough for grid layout. This application program can be freely downloaded from http://www.cadlive.jp/hybridlayout/hybridlayout.html

An energy-based model to optimize cluster visualization

National audienceGraphs are mathematical structures that provide natural means for complex-data representation. Graphs capture the structure and thus help modeling a wide range of complex real-life data in various domains. Moreover graphs are especially suitable for information visualization. Indeed the intuitive visualabstraction (dots and lines) they provide is intimately associated with graphs. Visualization paves the way to interactive exploratory data-analysis and to important goals such as identifying groups and subgroups among data and helping to understand how these groups interact with each other. In this paper, we present a graph drawing approach that helps to better appreciate the cluster structure in data and the interactions that may exist between clusters. In this work, we assume that the clusters are already extracted and focus rather on the visualization aspects. We propose an energy-based model for graph drawing that produces an esthetic drawing that ensures each cluster will occupy a separate zone within thevisualization layout. This method emphasizes the inter-groups interactions and still shows the inter-nodes interactions. The drawing areas assigned to the clusters can be user-specified (prefixed areas) or automatically crafted (free areas). The approach we suggest also enables handling geographically-based clustering. In the case of free areas, we illustrate the use of our drawing method through an example. In the case of prefixed areas, we firstuse an example from citation networks and then use another exampleto compare the results of our method to those of the divide and conquer approach. In the latter case, we show that while the two methods successfully point out the cluster structure our method better visualize the global structure

On functional module detection in metabolic networks

Functional modules of metabolic networks are essential for understanding the metabolism of an organism as a whole. With the vast amount of experimental data and the construction of complex and large-scale, often genome-wide, models, the computer-aided identification of functional modules becomes more and more important. Since steady states play a key role in biology, many methods have been developed in that context, for example, elementary flux modes, extreme pathways, transition invariants and place invariants. Metabolic networks can be studied also from the point of view of graph theory, and algorithms for graph decomposition have been applied for the identification of functional modules. A prominent and currently intensively discussed field of methods in graph theory addresses the Q-modularity. In this paper, we recall known concepts of module detection based on the steady-state assumption, focusing on transition-invariants (elementary modes) and their computation as minimal solutions of systems of Diophantine equations. We present the Fourier-Motzkin algorithm in detail. Afterwards, we introduce the Q-modularity as an example for a useful non-steady-state method and its application to metabolic networks. To illustrate and discuss the concepts of invariants and Q-modularity, we apply a part of the central carbon metabolism in potato tubers (Solanum tuberosum) as running example. The intention of the paper is to give a compact presentation of known steady-state concepts from a graph-theoretical viewpoint in the context of network decomposition and reduction and to introduce the application of Q-modularity to metabolic Petri net models

Kulla, a container-centric construction model for building infrastructure-agnostic distributed and parallel applications

This paper presents the design, development, and implementation of Kulla, a virtual container-centric construction model that mixes loosely coupled structures with a parallel programming model for building infrastructure-agnostic distributed and parallel applications. In Kulla, applications, dependencies and environment settings, are mapped with construction units called Kulla-Blocks. A parallel programming model enables developers to couple those interoperable structures for creating constructive structures named Kulla-Bricks. In these structures, continuous dataflow and parallel patterns can be created without modifying the code of applications. Methods such as Divide&Containerize (data parallelism), Pipe&Blocks (streaming), and Manager/Block (task parallelism) were developed to create Kulla-Bricks. Recursive combinations of Kulla instances can be grouped in deployment structures called Kulla-Boxes, which are encapsulated into VCs to create infrastructure-agnostic parallel and/or distributed applications. Deployment strategies were created for Kulla-Boxes to improve the IT resource profitability. To show the feasibility and flexibility of this model, solutions combining real-world applications were implemented by using Kulla instances to compose parallel and/or distributed system deployed on different IT infrastructures. An experimental evaluation based on use cases solving satellite and medical image processing problems revealed the efficiency of Kulla model in comparison with some traditional state-of-the-art solutions.This work has been partially supported by the EU project "ASPIDE: Exascale Programing Models for Extreme Data Processing" under grant 801091 and the project "CABAHLA-CM: Convergencia Big data-Hpc: de los sensores a las Aplicaciones" S2018/TCS-4423 from Madrid Regional Government

QAPgrid: A Two Level QAP-Based Approach for Large-Scale Data Analysis and Visualization

Background: The visualization of large volumes of data is a computationally challenging task that often promises rewarding new insights. There is great potential in the application of new algorithms and models from combinatorial optimisation. Datasets often contain “hidden regularities” and a combined identification and visualization method should reveal these structures and present them in a way that helps analysis. While several methodologies exist, including those that use non-linear optimization algorithms, severe limitations exist even when working with only a few hundred objects. Methodology/Principal Findings: We present a new data visualization approach (QAPgrid) that reveals patterns of similarities and differences in large datasets of objects for which a similarity measure can be computed. Objects are assigned to positions on an underlying square grid in a two-dimensional space. We use the Quadratic Assignment Problem (QAP) as a mathematical model to provide an objective function for assignment of objects to positions on the grid. We employ a Memetic Algorithm (a powerful metaheuristic) to tackle the large instances of this NP-hard combinatorial optimization problem, and we show its performance on the visualization of real data sets. Conclusions/Significance: Overall, the results show that QAPgrid algorithm is able to produce a layout that represents the relationships between objects in the data set. Furthermore, it also represents the relationships between clusters that are feed into the algorithm. We apply the QAPgrid on the 84 Indo-European languages instance, producing a near-optimal layout. Next, we produce a layout of 470 world universities with an observed high degree of correlation with the score used by the Academic Ranking of World Universities compiled in the The Shanghai Jiao Tong University Academic Ranking of World Universities without the need of an ad hoc weighting of attributes. Finally, our Gene Ontology-based study on Saccharomyces cerevisiae fully demonstrates the scalability and precision of our method as a novel alternative tool for functional genomics

Visual Similarity Perception of Directed Acyclic Graphs: A Study on Influencing Factors

While visual comparison of directed acyclic graphs (DAGs) is commonly encountered in various disciplines (e.g., finance, biology), knowledge about humans' perception of graph similarity is currently quite limited. By graph similarity perception we mean how humans perceive commonalities and differences in graphs and herewith come to a similarity judgment. As a step toward filling this gap the study reported in this paper strives to identify factors which influence the similarity perception of DAGs. In particular, we conducted a card-sorting study employing a qualitative and quantitative analysis approach to identify 1) groups of DAGs that are perceived as similar by the participants and 2) the reasons behind their choice of groups. Our results suggest that similarity is mainly influenced by the number of levels, the number of nodes on a level, and the overall shape of the graph.Comment: Graph Drawing 2017 - arXiv Version; Keywords: Graphs, Perception, Similarity, Comparison, Visualizatio

A layout algorithm for undirected compound graphs

Cataloged from PDF version of article.We present an algorithm for the layout of undirected compound graphs, relaxing restrictions of previously known algorithms in regards to topology and geometry. The algorithm is based on the traditional force-directed layout scheme with extensions to handle multi-level nesting, edges between nodes of arbitrary nesting levels, varying node sizes, and other possible application-specific constraints. Experimental results show that the execution time and quality of the produced drawings with respect to commonly accepted layout criteria are quite satisfactory. The algorithm has also been successfully implemented as part of a pathway integration and analysis toolkit named PATIKA, for drawing complicated biological pathways with compartmental constraints and arbitrary nesting relations to represent molecular complexes and various types of pathway abstractions. (C) 2008 Elsevier Inc. All rights reserved