COSPEDTree: COuplet Supertree by Equivalence Partitioning of Taxa Set and DAG Formation.

Science.gov (United States)

Bhattacharyya, Sourya; Mukherjee, Jayanta

2015-01-01

From a set of phylogenetic trees with overlapping taxa set, a supertree exhibits evolutionary relationships among all input taxa. The key is to resolve the contradictory relationships with respect to input trees, between individual taxa subsets. Formulation of this NP hard problem employs either local search heuristics to reduce tree search space, or resolves the conflicts with respect to fixed or varying size subtree level decompositions. Different approximation techniques produce supertrees with considerable performance variations. Moreover, the majority of the algorithms involve high computational complexity, thus not suitable for use on large biological data sets. Current study presents COSPEDTree, a novel method for supertree construction. The technique resolves source tree conflicts by analyzing couplet (taxa pair) relationships for each source trees. Subsequently, individual taxa pairs are resolved with a single relation. To prioritize the consensus relations among individual taxa pairs for resolving them, greedy scoring is employed to assign higher score values for the consensus relations among a taxa pair. Selected set of relations resolving individual taxa pairs is subsequently used to construct a directed acyclic graph (DAG). Vertices of DAG represents a taxa subset inferred from the same speciation event. Thus, COSPEDTree can generate non-binary supertrees as well. Depth first traversal on this DAG yields final supertree. According to the performance metrics on branch dissimilarities (such as FP, FN and RF), COSPEDTree produces mostly conservative, well resolved supertrees. Specifically, RF metrics are mostly lower compared to the reference approaches, and FP values are lower apart from only strictly conservative (or veto) approaches. COSPEDTree has worst case time and space complexities of cubic and quadratic order, respectively, better or comparable to the reference approaches. Such high performance and low computational costs enable COSPEDTree to be

Independencies Induced from a Graphical Markov Model After Marginalization and Conditioning: The R Package ggm

Directory of Open Access Journals (Sweden)

Giovanni M. Marchetti

2006-02-01

Full Text Available We describe some functions in the R package ggm to derive from a given Markov model, represented by a directed acyclic graph, different types of graphs induced after marginalizing over and conditioning on some of the variables. The package has a few basic functions that find the essential graph, the induced concentration and covariance graphs, and several types of chain graphs implied by the directed acyclic graph (DAG after grouping and reordering the variables. These functions can be useful to explore the impact of latent variables or of selection effects on a chosen data generating model.

Inferring ontology graph structures using OWL reasoning

KAUST Repository

Rodriguez-Garcia, Miguel Angel

2018-01-05

Ontologies are representations of a conceptualization of a domain. Traditionally, ontologies in biology were represented as directed acyclic graphs (DAG) which represent the backbone taxonomy and additional relations between classes. These graphs are widely exploited for data analysis in the form of ontology enrichment or computation of semantic similarity. More recently, ontologies are developed in a formal language such as the Web Ontology Language (OWL) and consist of a set of axioms through which classes are defined or constrained. While the taxonomy of an ontology can be inferred directly from the axioms of an ontology as one of the standard OWL reasoning tasks, creating general graph structures from OWL ontologies that exploit the ontologies\\' semantic content remains a challenge.We developed a method to transform ontologies into graphs using an automated reasoner while taking into account all relations between classes. Searching for (existential) patterns in the deductive closure of ontologies, we can identify relations between classes that are implied but not asserted and generate graph structures that encode for a large part of the ontologies\\' semantic content. We demonstrate the advantages of our method by applying it to inference of protein-protein interactions through semantic similarity over the Gene Ontology and demonstrate that performance is increased when graph structures are inferred using deductive inference according to our method. Our software and experiment results are available at http://github.com/bio-ontology-research-group/Onto2Graph .Onto2Graph is a method to generate graph structures from OWL ontologies using automated reasoning. The resulting graphs can be used for improved ontology visualization and ontology-based data analysis.

Inferring ontology graph structures using OWL reasoning.

Science.gov (United States)

Rodríguez-García, Miguel Ángel; Hoehndorf, Robert

2018-01-05

Ontologies are representations of a conceptualization of a domain. Traditionally, ontologies in biology were represented as directed acyclic graphs (DAG) which represent the backbone taxonomy and additional relations between classes. These graphs are widely exploited for data analysis in the form of ontology enrichment or computation of semantic similarity. More recently, ontologies are developed in a formal language such as the Web Ontology Language (OWL) and consist of a set of axioms through which classes are defined or constrained. While the taxonomy of an ontology can be inferred directly from the axioms of an ontology as one of the standard OWL reasoning tasks, creating general graph structures from OWL ontologies that exploit the ontologies' semantic content remains a challenge. We developed a method to transform ontologies into graphs using an automated reasoner while taking into account all relations between classes. Searching for (existential) patterns in the deductive closure of ontologies, we can identify relations between classes that are implied but not asserted and generate graph structures that encode for a large part of the ontologies' semantic content. We demonstrate the advantages of our method by applying it to inference of protein-protein interactions through semantic similarity over the Gene Ontology and demonstrate that performance is increased when graph structures are inferred using deductive inference according to our method. Our software and experiment results are available at http://github.com/bio-ontology-research-group/Onto2Graph . Onto2Graph is a method to generate graph structures from OWL ontologies using automated reasoning. The resulting graphs can be used for improved ontology visualization and ontology-based data analysis.

Average-case analysis of incremental topological ordering

DEFF Research Database (Denmark)

Ajwani, Deepak; Friedrich, Tobias

2010-01-01

Many applications like pointer analysis and incremental compilation require maintaining a topological ordering of the nodes of a directed acyclic graph (DAG) under dynamic updates. All known algorithms for this problem are either only analyzed for worst-case insertion sequences or only evaluated...... experimentally on random DAGs. We present the first average-case analysis of incremental topological ordering algorithms. We prove an expected runtime of under insertion of the edges of a complete DAG in a random order for the algorithms of Alpern et al. (1990) [4], Katriel and Bodlaender (2006) [18], and Pearce...

Yadage and Packtivity - analysis preservation using parametrized workflows

Science.gov (United States)

Cranmer, Kyle; Heinrich, Lukas

2017-10-01

Preserving data analyses produced by the collaborations at LHC in a parametrized fashion is crucial in order to maintain reproducibility and re-usability. We argue for a declarative description in terms of individual processing steps - “packtivities” - linked through a dynamic directed acyclic graph (DAG) and present an initial set of JSON schemas for such a description and an implementation - “yadage” - capable of executing workflows of analysis preserved via Linux containers.

Labeling RDF Graphs for Linear Time and Space Querying

Science.gov (United States)

Furche, Tim; Weinzierl, Antonius; Bry, François

Indices and data structures for web querying have mostly considered tree shaped data, reflecting the view of XML documents as tree-shaped. However, for RDF (and when querying ID/IDREF constraints in XML) data is indisputably graph-shaped. In this chapter, we first study existing indexing and labeling schemes for RDF and other graph datawith focus on support for efficient adjacency and reachability queries. For XML, labeling schemes are an important part of the widespread adoption of XML, in particular for mapping XML to existing (relational) database technology. However, the existing indexing and labeling schemes for RDF (and graph data in general) sacrifice one of the most attractive properties of XML labeling schemes, the constant time (and per-node space) test for adjacency (child) and reachability (descendant). In the second part, we introduce the first labeling scheme for RDF data that retains this property and thus achieves linear time and space processing of acyclic RDF queries on a significantly larger class of graphs than previous approaches (which are mostly limited to tree-shaped data). Finally, we show how this labeling scheme can be applied to (acyclic) SPARQL queries to obtain an evaluation algorithm with time and space complexity linear in the number of resources in the queried RDF graph.

A Space-Economic Representation of Transitive Closures in Relational Databases

Directory of Open Access Journals (Sweden)

Yangjun Chen

2006-10-01

Full Text Available A composite object represented as a directed graph (digraph for short is an important data structure that requires efficient support in CAD/CAM, CASE, office systems, software management, web databases, and document databases. It is cumbersome to handle such objects in relational database systems when they involve ancestor-descendant relationships (or say, recursive relationships. In this paper, we present a new encoding method to label a digraph, which reduces the footprints of all previous strategies. This method is based on a tree labeling method and the concept of branchings that are used in graph theory for finding the shortest connection networks. A branching is a subgraph of a given digraph that is in fact a forest, but covers all the nodes of the graph. On the one hand, the proposed encoding scheme achieves the smallest space requirements among all previously published strategies for recognizing recursive relationships. On the other hand, it leads to a new algorithm for computing transitive closures for DAGs (directed acyclic graph in O(eþb time and O(nþb space, where n represents the number of the nodes of a DAG, e the numbers of the edges, and b the DAG's breadth. In addition, this method can be extended to cyclic digraphs and is especially suitable for a relational environment.

Dag

African Journals Online (AJOL)

USER

2017-01-24

Jan 24, 2017 ... Dag HammarskjЎld Institute for Peace and Conflict Studies, Copperbelt University, P.O. ... There was little or no participation of all stakeholders in the programme leading to ... world views are incorporated. ..... communities of their very livelihoods. .... Eviction for Conservation: A Global ... Ministry of Tourism,.

Schur complements of matrices with acyclic bipartite graphs

DEFF Research Database (Denmark)

Britz, Thomas Johann; Olesky, D.D.; van den Driessche, P.

2005-01-01

Bipartite graphs are used to describe the generalized Schur complements of real matrices having nos quare submatrix with two or more nonzero diagonals. For any matrix A with this property, including any nearly reducible matrix, the sign pattern of each generalized Schur complement is shown to be ...

DAG tales: the multiple faces of diacylglycerol--stereochemistry, metabolism, and signaling.

Science.gov (United States)

Eichmann, Thomas Oliver; Lass, Achim

2015-10-01

The neutral lipids diacylglycerols (DAGs) are involved in a plethora of metabolic pathways. They function as components of cellular membranes, as building blocks for glycero(phospho)lipids, and as lipid second messengers. Considering their central role in multiple metabolic processes and signaling pathways, cellular DAG levels require a tight regulation to ensure a constant and controlled availability. Interestingly, DAG species are versatile in their chemical structure. Besides the different fatty acid species esterified to the glycerol backbone, DAGs can occur in three different stereo/regioisoforms, each with unique biological properties. Recent scientific advances have revealed that DAG metabolizing enzymes generate and distinguish different DAG isoforms, and that only one DAG isoform holds signaling properties. Herein, we review the current knowledge of DAG stereochemistry and their impact on cellular metabolism and signaling. Further, we describe intracellular DAG turnover and its stereochemistry in a 3-pool model to illustrate the spatial and stereochemical separation and hereby the diversity of cellular DAG metabolism.

Sequential Optimization of Paths in Directed Graphs Relative to Different Cost Functions

KAUST Repository

Abubeker, Jewahir Ali

2011-05-14

This paper is devoted to the consideration of an algorithm for sequential optimization of paths in directed graphs relative to di_erent cost functions. The considered algorithm is based on an extension of dynamic programming which allows to represent the initial set of paths and the set of optimal paths after each application of optimization procedure in the form of a directed acyclic graph.

Hvad betyder Holocaust i dag?

DEFF Research Database (Denmark)

Wæhrens, Anne

2013-01-01

Holocaust er del af europæernes fælles arv, men hvilken betydning har folkedrabet i dag? Hvorfor bliver Holocaust stadig mindet, og er der andre dele af historiens skyggesider, som også bør blive mindet?......Holocaust er del af europæernes fælles arv, men hvilken betydning har folkedrabet i dag? Hvorfor bliver Holocaust stadig mindet, og er der andre dele af historiens skyggesider, som også bør blive mindet?...

Information-Theoretic Inference of Common Ancestors

Directory of Open Access Journals (Sweden)

Bastian Steudel

2015-04-01

Full Text Available A directed acyclic graph (DAG partially represents the conditional independence structure among observations of a system if the local Markov condition holds, that is if every variable is independent of its non-descendants given its parents. In general, there is a whole class of DAGs that represents a given set of conditional independence relations. We are interested in properties of this class that can be derived from observations of a subsystem only. To this end, we prove an information-theoretic inequality that allows for the inference of common ancestors of observed parts in any DAG representing some unknown larger system. More explicitly, we show that a large amount of dependence in terms of mutual information among the observations implies the existence of a common ancestor that distributes this information. Within the causal interpretation of DAGs, our result can be seen as a quantitative extension of Reichenbach’s principle of common cause to more than two variables. Our conclusions are valid also for non-probabilistic observations, such as binary strings, since we state the proof for an axiomatized notion of “mutual information” that includes the stochastic as well as the algorithmic version.

Acyclic models

CERN Document Server

Barr, Michael

2002-01-01

Acyclic models is a method heavily used to analyze and compare various homology and cohomology theories appearing in topology and algebra. This book is the first attempt to put together in a concise form this important technique and to include all the necessary background. It presents a brief introduction to category theory and homological algebra. The author then gives the background of the theory of differential modules and chain complexes over an abelian category to state the main acyclic models theorem, generalizing and systemizing the earlier material. This is then applied to various cohomology theories in algebra and topology. The volume could be used as a text for a course that combines homological algebra and algebraic topology. Required background includes a standard course in abstract algebra and some knowledge of topology. The volume contains many exercises. It is also suitable as a reference work for researchers.

A novel decision diagrams extension method

International Nuclear Information System (INIS)

Li, Shumin; Si, Shubin; Dui, Hongyan; Cai, Zhiqiang; Sun, Shudong

2014-01-01

Binary decision diagram (BDD) is a graph-based representation of Boolean functions. It is a directed acyclic graph (DAG) based on Shannon's decomposition. Multi-state multi-valued decision diagram (MMDD) is a natural extension of BDD for the symbolic representation and manipulation of the multi-valued logic functions. This paper proposes a decision diagram extension method based on original BDD/MMDD while the scale of a reliability system is extended. Following a discussion of decomposition and physical meaning of BDD and MMDD, the modeling method of BDD/MMDD based on original BDD/MMDD is introduced. Three case studies are implemented to demonstrate the presented methods. Compared with traditional BDD and MMDD generation methods, the decision diagrams extension method is more computationally efficient as shown through the running time

DAG1, no gene for RNA regulation?

Science.gov (United States)

Brancaccio, Andrea

2012-04-10

DAG1 encodes for a precursor protein that liberates the two subunits featured by the dystroglycan (DG) adhesion complex that are involved in an increasing number of cellular functions in a wide variety of cells and tissues. Aside from the proteolytic events producing the α and β subunits, especially the former undergoes extensive "post-production" modifications taking place within the ER/Golgi where its core protein is both N- and O-decorated with sugars. These post-translational events, that are mainly orchestrated by a plethora of certified, or putative, glycosyltransferases, prelude to the excocytosis-mediated trafficking and targeting of the DG complex to the plasma membrane. Extensive genetic and biochemical evidences have been accumulated so far on α-DG glycosylation, while little is know on possible regulatory events underlying the chromatine activation, transcription or post-transcription (splicing and escape from the nucleus) of DAG1 or of its mRNA. A scenario is envisaged in which cells would use a sort of preferential, and scarcely regulated, route for DAG1 activation, that would imply fast mRNA transcription, maturation and export to the cytosol, and would prelude to the multiple time-consuming enzymatic post-translational activities needed for its glycosylation. Such a provocative view might be helpful to trigger future work aiming at disclosing the complete molecular mechanisms underlying DAG1 activation and at improving our knowledge of any pre-translational step that is involved in dystroglycan regulation. Copyright © 2012 Elsevier B.V. All rights reserved.

Quantum centrality testing on directed graphs via P T -symmetric quantum walks

Science.gov (United States)

Izaac, J. A.; Wang, J. B.; Abbott, P. C.; Ma, X. S.

2017-09-01

Various quantum-walk-based algorithms have been proposed to analyze and rank the centrality of graph vertices. However, issues arise when working with directed graphs: the resulting non-Hermitian Hamiltonian leads to nonunitary dynamics, and the total probability of the quantum walker is no longer conserved. In this paper, we discuss a method for simulating directed graphs using P T -symmetric quantum walks, allowing probability-conserving nonunitary evolution. This method is equivalent to mapping the directed graph to an undirected, yet weighted, complete graph over the same vertex set, and can be extended to cover interdependent networks of directed graphs. Previous work has shown centrality measures based on the continuous-time quantum walk provide an eigenvectorlike quantum centrality; using the P T -symmetric framework, we extend these centrality algorithms to directed graphs with a significantly reduced Hilbert space compared to previous proposals. In certain cases, this centrality measure provides an advantage over classical algorithms used in network analysis, for example, by breaking vertex rank degeneracy. Finally, we perform a statistical analysis over ensembles of random graphs, and show strong agreement with the classical PageRank measure on directed acyclic graphs.

Causal Analysis After Haavelmo

Science.gov (United States)

Heckman, James; Pinto, Rodrigo

2014-01-01

Haavelmo's seminal 1943 and 1944 papers are the first rigorous treatment of causality. In them, he distinguished the definition of causal parameters from their identification. He showed that causal parameters are defined using hypothetical models that assign variation to some of the inputs determining outcomes while holding all other inputs fixed. He thus formalized and made operational Marshall's (1890) ceteris paribus analysis. We embed Haavelmo's framework into the recursive framework of Directed Acyclic Graphs (DAGs) used in one influential recent approach to causality (Pearl, 2000) and in the related literature on Bayesian nets (Lauritzen, 1996). We compare the simplicity of an analysis of causality based on Haavelmo's methodology with the complex and nonintuitive approach used in the causal literature of DAGs—the “do-calculus” of Pearl (2009). We discuss the severe limitations of DAGs and in particular of the do-calculus of Pearl in securing identification of economic models. We extend our framework to consider models for simultaneous causality, a central contribution of Haavelmo. In general cases, DAGs cannot be used to analyze models for simultaneous causality, but Haavelmo's approach naturally generalizes to cover them. PMID:25729123

Direct activation of Transient Receptor Potential Vanilloid 1(TRPV1 by Diacylglycerol (DAG

Directory of Open Access Journals (Sweden)

Oh Seog

2008-10-01

Full Text Available Abstract The capsaicin receptor, known as transient receptor potential channel vanilloid subtype 1 (TRPV1, is activated by a wide range of noxious stimulants and putative ligands such as capsaicin, heat, pH, anandamide, and phosphorylation by protein kinase C (PKC. However, the identity of endogenous activators for TRPV1 under physiological condition is still debated. Here, we report that diacylglycerol (DAG directly activates TRPV1 channel in a membrane-delimited manner in rat dorsal root ganglion (DRG neurons. 1-oleoyl-2-acetyl-sn-glycerol (OAG, a membrane-permeable DAG analog, elicited intracellular Ca2+ transients, cationic currents and cobalt uptake that were blocked by TRPV1-selective antagonists, but not by inhibitors of PKC and DAG lipase in rat DRG neurons or HEK 293 cells heterologously expressing TRPV1. OAG induced responses were about one fifth of capsaicin induced signals, suggesting that OAG displays partial agonism. We also found that endogenously produced DAG can activate rat TRPV1 channels. Mutagenesis of rat TRPV1 revealed that DAG-binding site is at Y511, the same site for capsaicin binding, and PtdIns(4,5P2binding site may not be critical for the activation of rat TRPV1 by DAG in heterologous system. We propose that DAG serves as an endogenous ligand for rat TRPV1, acting as an integrator of Gq/11-coupled receptors and receptor tyrosine kinases that are linked to phospholipase C.

DigDag

DEFF Research Database (Denmark)

Knudsen, Bo Nissen

, e.g. boundary changes, name changes as well as changes in administrative structures. Seen over centuries, public and ecclesiastical administration becomes increasingly complex, resulting in ever increasing needs for updates in administrative divisions. A substantial number of digitised archival...... registers in Denmark use, among others, geographical/administrative entrances. The entrance is usually a topographical code (e.g. settlement, parish) or local authority jurisdiction (e.g. customs service, police districts). Due to changes in the administrative divisions, most of the geocodes are unique...... to each archive, or archival system. The DigDag project establishes a uniform research infrastructure through a webGIS within history, archaeology, place-names, statistics and geography: a digital cartographical skeleton for thematic mapping and analysis which will generate new interdisciplinary research...

Bloei-inductie bij Chrysant onder lange dag : toepassing van LED-licht technologie

NARCIS (Netherlands)

Ieperen, van W.; Hogewoning, S.W.; Dam, ten E.

2011-01-01

Deze publicatie beschrijft een onderzoek naar daglengte verlenging tijdens de korte dag bij chrysant met behoud van bloei door sturing met speciale LED belichting. In klimaatkamerproeven met LEDs (zonder natuurlijk licht) kon bij Chrysant bloemknopaanleg worden geïnduceerd onder een lange dag (LD),

GOGrapher: A Python library for GO graph representation and analysis.

Science.gov (United States)

Muller, Brian; Richards, Adam J; Jin, Bo; Lu, Xinghua

2009-07-07

The Gene Ontology is the most commonly used controlled vocabulary for annotating proteins. The concepts in the ontology are organized as a directed acyclic graph, in which a node corresponds to a biological concept and a directed edge denotes the parent-child semantic relationship between a pair of terms. A large number of protein annotations further create links between proteins and their functional annotations, reflecting the contemporary knowledge about proteins and their functional relationships. This leads to a complex graph consisting of interleaved biological concepts and their associated proteins. What is needed is a simple, open source library that provides tools to not only create and view the Gene Ontology graph, but to analyze and manipulate it as well. Here we describe the development and use of GOGrapher, a Python library that can be used for the creation, analysis, manipulation, and visualization of Gene Ontology related graphs. An object-oriented approach was adopted to organize the hierarchy of the graphs types and associated classes. An Application Programming Interface is provided through which different types of graphs can be pragmatically created, manipulated, and visualized. GOGrapher has been successfully utilized in multiple research projects, e.g., a graph-based multi-label text classifier for protein annotation. The GOGrapher project provides a reusable programming library designed for the manipulation and analysis of Gene Ontology graphs. The library is freely available for the scientific community to use and improve.

GOGrapher: A Python library for GO graph representation and analysis

Directory of Open Access Journals (Sweden)

Lu Xinghua

2009-07-01

Full Text Available Abstract Background The Gene Ontology is the most commonly used controlled vocabulary for annotating proteins. The concepts in the ontology are organized as a directed acyclic graph, in which a node corresponds to a biological concept and a directed edge denotes the parent-child semantic relationship between a pair of terms. A large number of protein annotations further create links between proteins and their functional annotations, reflecting the contemporary knowledge about proteins and their functional relationships. This leads to a complex graph consisting of interleaved biological concepts and their associated proteins. What is needed is a simple, open source library that provides tools to not only create and view the Gene Ontology graph, but to analyze and manipulate it as well. Here we describe the development and use of GOGrapher, a Python library that can be used for the creation, analysis, manipulation, and visualization of Gene Ontology related graphs. Findings An object-oriented approach was adopted to organize the hierarchy of the graphs types and associated classes. An Application Programming Interface is provided through which different types of graphs can be pragmatically created, manipulated, and visualized. GOGrapher has been successfully utilized in multiple research projects, e.g., a graph-based multi-label text classifier for protein annotation. Conclusion The GOGrapher project provides a reusable programming library designed for the manipulation and analysis of Gene Ontology graphs. The library is freely available for the scientific community to use and improve.

Analysis and enumeration algorithms for biological graphs

CERN Document Server

Marino, Andrea

2015-01-01

In this work we plan to revise the main techniques for enumeration algorithms and to show four examples of enumeration algorithms that can be applied to efficiently deal with some biological problems modelled by using biological networks: enumerating central and peripheral nodes of a network, enumerating stories, enumerating paths or cycles, and enumerating bubbles. Notice that the corresponding computational problems we define are of more general interest and our results hold in the case of arbitrary graphs. Enumerating all the most and less central vertices in a network according to their eccentricity is an example of an enumeration problem whose solutions are polynomial and can be listed in polynomial time, very often in linear or almost linear time in practice. Enumerating stories, i.e. all maximal directed acyclic subgraphs of a graph G whose sources and targets belong to a predefined subset of the vertices, is on the other hand an example of an enumeration problem with an exponential number of solutions...

An Algorithm for Determining Minimal Reduced—Coverings of Acyclic Database Schemes

Institute of Scientific and Technical Information of China (English)

刘铁英; 叶新铭

1996-01-01

This paper reports an algoritm(DTV)for deermining the minimal reducedcovering of an acyclic database scheme over a specified subset of attributes.The output of this algotithm contains not only minimum number of attributes but also minimum number of partial relation schemes.The algorithm has complexity O(|N|·|E|2),where|N| is the number of attributes and |E|the number of relation schemes.It is also proved that for Berge,γ or β acyclic database schemes,the output of algorithm DTV maintains the acyclicity correspondence.

Probabilistic Networks

DEFF Research Database (Denmark)

Jensen, Finn Verner; Lauritzen, Steffen Lilholt

2001-01-01

This article describes the basic ideas and algorithms behind specification and inference in probabilistic networks based on directed acyclic graphs, undirected graphs, and chain graphs.......This article describes the basic ideas and algorithms behind specification and inference in probabilistic networks based on directed acyclic graphs, undirected graphs, and chain graphs....

3000 Horsepower super conductive field acyclic motor

International Nuclear Information System (INIS)

Marshall, R.

1983-01-01

A 3000 hp acyclic motor was assembled and tested utilizing superconducting field coils. The magnet assembly is designed as a quadrupole magnet, utilizing a multifilamentary niobium titanium superconductor. Each magnet coil is 18 inches in diameter and 10 inches long, and operates at rated current of 200 amperes, providing 5.8 tesla in the bore of the coils in the motor configuration. The average winding current density is 10,600 A/cm 2 . The acyclic motor is of a drum-type design with liquid metal current collectors, and is designed to model full-scale machinery for ship propulsion applications. Laboratory test data verified the electrical and electromagnetic design to be within three percent of the calculated values

Estimating causal effects with a non-paranormal method for the design of efficient intervention experiments.

Science.gov (United States)

Teramoto, Reiji; Saito, Chiaki; Funahashi, Shin-ichi

2014-06-30

Knockdown or overexpression of genes is widely used to identify genes that play important roles in many aspects of cellular functions and phenotypes. Because next-generation sequencing generates high-throughput data that allow us to detect genes, it is important to identify genes that drive functional and phenotypic changes of cells. However, conventional methods rely heavily on the assumption of normality and they often give incorrect results when the assumption is not true. To relax the Gaussian assumption in causal inference, we introduce the non-paranormal method to test conditional independence in the PC-algorithm. Then, we present the non-paranormal intervention-calculus when the directed acyclic graph (DAG) is absent (NPN-IDA), which incorporates the cumulative nature of effects through a cascaded pathway via causal inference for ranking causal genes against a phenotype with the non-paranormal method for estimating DAGs. We demonstrate that causal inference with the non-paranormal method significantly improves the performance in estimating DAGs on synthetic data in comparison with the original PC-algorithm. Moreover, we show that NPN-IDA outperforms the conventional methods in exploring regulators of the flowering time in Arabidopsis thaliana and regulators that control the browning of white adipocytes in mice. Our results show that performance improvement in estimating DAGs contributes to an accurate estimation of causal effects. Although the simplest alternative procedure was used, our proposed method enables us to design efficient intervention experiments and can be applied to a wide range of research purposes, including drug discovery, because of its generality.

FIFE-Jobsub: a grid submission system for intensity frontier experiments at Fermilab

International Nuclear Information System (INIS)

Box, Dennis

2014-01-01

The Fermilab Intensity Frontier Experiments use an integrated submission system known as FIFE-jobsub, part of the FIFE (Fabric for Frontier Experiments) initiative, to submit batch jobs to the Open Science Grid. FIFE-jobsub eases the burden on experimenters by integrating data transfer and site selection details in an easy to use and well-documented format. FIFE-jobsub automates tedious details of maintaining grid proxies for the lifetime of the grid job. Data transfer is handled using the Intensity Frontier Data Handling Client (IFDHC) [1] tool suite, which facilitates selecting the appropriate data transfer method from many possibilities while protecting shared resources from overload. Chaining of job dependencies into Directed Acyclic Graphs (Condor DAGS) is well supported and made easier through the use of input flags and parameters.

FIFE-Jobsub: a grid submission system for intensity frontier experiments at Fermilab

Science.gov (United States)

Box, Dennis

2014-06-01

The Fermilab Intensity Frontier Experiments use an integrated submission system known as FIFE-jobsub, part of the FIFE (Fabric for Frontier Experiments) initiative, to submit batch jobs to the Open Science Grid. FIFE-jobsub eases the burden on experimenters by integrating data transfer and site selection details in an easy to use and well-documented format. FIFE-jobsub automates tedious details of maintaining grid proxies for the lifetime of the grid job. Data transfer is handled using the Intensity Frontier Data Handling Client (IFDHC) [1] tool suite, which facilitates selecting the appropriate data transfer method from many possibilities while protecting shared resources from overload. Chaining of job dependencies into Directed Acyclic Graphs (Condor DAGS) is well supported and made easier through the use of input flags and parameters.

I dag er eleven altid måske-egnet

DEFF Research Database (Denmark)

Hamre, Bjørn

2013-01-01

"Måske-egnet" er i nutiden blevet ophøjet til et pædagogisk ideal, som elever inkluderes og ekskluderes efter. Det ses i de helt særlige forestillinger, der er knyttet til at manifestere sig som lærerende i skolen i dag. Forestillingen om læring ses ikke alene i skolen, men afspejles i en...... samfundsdiskurs, hvor livslang læring er blevet et bærende ideal. Elever i skolen fikseres i en måske-egnethed, der betyder at de aldrig for alvor dømmes ude, men heller aldrig kan føles sig sikre på at være indenfor. Hvor elever tidligere blev dømt ude på grund af manglende evner, omfattes elever i dag af et...

Minimising the Kullback–Leibler Divergence for Model Selection in Distributed Nonlinear Systems

Directory of Open Access Journals (Sweden)

Oliver M. Cliff

2018-01-01

Full Text Available The Kullback–Leibler (KL divergence is a fundamental measure of information geometry that is used in a variety of contexts in artificial intelligence. We show that, when system dynamics are given by distributed nonlinear systems, this measure can be decomposed as a function of two information-theoretic measures, transfer entropy and stochastic interaction. More specifically, these measures are applicable when selecting a candidate model for a distributed system, where individual subsystems are coupled via latent variables and observed through a filter. We represent this model as a directed acyclic graph (DAG that characterises the unidirectional coupling between subsystems. Standard approaches to structure learning are not applicable in this framework due to the hidden variables; however, we can exploit the properties of certain dynamical systems to formulate exact methods based on differential topology. We approach the problem by using reconstruction theorems to derive an analytical expression for the KL divergence of a candidate DAG from the observed dataset. Using this result, we present a scoring function based on transfer entropy to be used as a subroutine in a structure learning algorithm. We then demonstrate its use in recovering the structure of coupled Lorenz and Rössler systems.

Partial disruption of lipolysis increases postexercise insulin sensitivity in skeletal muscle despite accumulation of DAG

DEFF Research Database (Denmark)

Serup, Annette Karen Lundbeck; Alsted, Thomas Junker; Jordy, Andreas Børsting

2016-01-01

reactivity in vitro, we investigated if the described function of DAGs as mediators of lipid-induced insulin resistance was depending on the different DAG-isomers. We measured insulin stimulated glucose uptake in hormone sensitive lipase (HSL) knock out (KO) mice after treadmill exercise to stimulate...

Diagnostic Analyzer for Gearboxes (DAG): User's Guide. Version 3.1 for Microsoft Windows 3.1

Science.gov (United States)

Jammu, Vinay B.; Kourosh, Danai

1997-01-01

This documentation describes the Diagnostic Analyzer for Gearboxes (DAG) software for performing fault diagnosis of gearboxes. First, the user would construct a graphical representation of the gearbox using the gear, bearing, shaft, and sensor tools contained in the DAG software. Next, a set of vibration features obtained by processing the vibration signals recorded from the gearbox using a signal analyzer is required. Given this information, the DAG software uses an unsupervised neural network referred to as the Fault Detection Network (FDN) to identify the occurrence of faults, and a pattern classifier called Single Category-Based Classifier (SCBC) for abnormality scaling of individual vibration features. The abnormality-scaled vibration features are then used as inputs to a Structure-Based Connectionist Network (SBCN) for identifying faults in gearbox subsystems and components. The weights of the SBCN represent its diagnostic knowledge and are derived from the structure of the gearbox graphically presented in DAG. The outputs of SBCN are fault possibility values between 0 and 1 for individual subsystems and components in the gearbox with a 1 representing a definite fault and a 0 representing normality. This manual describes the steps involved in creating the diagnostic gearbox model, along with the options and analysis tools of the DAG software.

Detecting Elusive Intermediates in Carbohydrate Conversion: A Dynamic Ensemble of Acyclic Glucose-Catalyst Complexes

DEFF Research Database (Denmark)

Meier, Sebastian; Karlsson, Magnus; Jensen, Pernille Rose

2017-01-01

within few seconds prior to reaching a steady state. Exchange between the acyclic intermediates increases at conditions that favor epimerization. Species accounting for less than 0.05% of total glucose can be monitored with sub-second time resolution to allow kinetic analysis of intermediate formation...... and catalytic conversion. Epimerization occurs 2-3 orders of magnitude-fold faster than the binding of acyclic glucose to the catalyst at near-optimum reaction conditions. The current study brings insight in to the nature of acyclic intermediate-catalyst complexes of very low population and into experimental...... strategies for characterizing very minor intermediates in carbohydrate conversion to value-added compounds....

The Dag Hammarskjold Library Reaches Out to the World.

Science.gov (United States)

Chepesiuk, Ron

1998-01-01

Describes services offered at the Dag Hammarskjold Library at the United Nations (UN). Highlights include adopting new technology for a virtual library; the international law collection which is now accessible through the World Wide Web; UN depository libraries; material available on the Internet; the Optical Disk System, a storage/retrieval…

Specific acyclic isoprenoids as biological markers of methanogenic bacteria in marine sediments.

Science.gov (United States)

Brassell, S C; Wardroper, A M; Thomson, I D; Maxwell, J R; Eglinton, G

1981-04-23

The widespread occurrence of extended hopanoids in sediments and petroleums illustrates the importance of bacterial lipid contributions to geological materials. In archaebacteria, however, hopanoids are absent; their role as structural components of biomembranes is fulfilled by acyclic isoprenoids. Recent studies of the lipid constituents of archaebacteria have greatly extended the range of acyclic isoprenoid skeletons known in organisms (Fig. 1). In particularly, isoprenoids with head-to-head linkages have been identified, and such compounds (for example, 3,7,11,15,18,22,26,30-octamethyldotriacontane, I) have been recognized in petroleum and as degradation products of Messel shale kerogen. Here we report the first recognition of 2,6,10,15,19-pentamethyleicosane (II), a known component of methanogens, in marine sediments of Recent to Cretaceous age (Table 1) and suggest that it and certain other acyclic isoprenoids may be used as biological markers for methanogens.

On Event Detection and Localization in Acyclic Flow Networks

KAUST Repository

Suresh, Mahima Agumbe; Stoleru, Radu; Zechman, Emily M.; Shihada, Basem

2013-01-01

Acyclic flow networks, present in many infrastructures of national importance (e.g., oil and gas and water distribution systems), have been attracting immense research interest. Existing solutions for detecting and locating attacks against

Production of DagA and ethanol by sequential utilization of sugars in a mixed-sugar medium simulating microalgal hydrolysate.

Science.gov (United States)

Park, Juyi; Hong, Soon-Kwang; Chang, Yong Keun

2015-09-01

A novel two-step fermentation process using a mixed-sugar medium mimicking microalgal hydrolysate has been proposed to avoid glucose repression and thus to maximize substrate utilization efficiency. When DagA, a β-agarase was produced in one step in the mixed-sugar medium by using a recombinant Streptomyces lividans, glucose was found to have negative effects on the consumption of the other sugars and DagA biosynthesis causing low substrate utilization efficiency and low DagA productivity. To overcome such difficulties, a new strategy of sequential substrate utilization was developed. In the first step, glucose was consumed by Saccharomyces cerevisiae together with galactose and mannose producing ethanol, after which DagA was produced from the remaining sugars of xylose, rhamnose and ribose. Fucose was not consumed. By adopting this two-step process, the overall substrate utilization efficiency was increased approximately 3-fold with a nearly 2-fold improvement of DagA production, let alone the additional benefit of ethanol production. Copyright © 2015 Elsevier Ltd. All rights reserved.

Asynchronous Task-Based Polar Decomposition on Single Node Manycore Architectures

KAUST Repository

Sukkari, Dalal E.; Ltaief, Hatem; Faverge, Mathieu; Keyes, David E.

2017-01-01

This paper introduces the first asynchronous, task-based formulation of the polar decomposition and its corresponding implementation on manycore architectures. Based on a formulation of the iterative QR dynamically-weighted Halley algorithm (QDWH) for the calculation of the polar decomposition, the proposed implementation replaces the original LU factorization for the condition number estimator by the more adequate QR factorization to enable software portability across various architectures. Relying on fine-grained computations, the novel task-based implementation is capable of taking advantage of the identity structure of the matrix involved during the QDWH iterations, which decreases the overall algorithmic complexity. Furthermore, the artifactual synchronization points have been weakened compared to previous implementations, unveiling look-ahead opportunities for better hardware occupancy. The overall QDWH-based polar decomposition can then be represented as a directed acyclic graph (DAG), where nodes represent computational tasks and edges define the inter-task data dependencies. The StarPU dynamic runtime system is employed to traverse the DAG, to track the various data dependencies and to asynchronously schedule the computational tasks on the underlying hardware resources, resulting in an out-of-order task scheduling. Benchmarking experiments show significant improvements against existing state-of-the-art high performance implementations for the polar decomposition on latest shared-memory vendors' systems, while maintaining numerical accuracy.

Asynchronous Task-Based Polar Decomposition on Single Node Manycore Architectures

KAUST Repository

Sukkari, Dalal E.

2017-09-29

This paper introduces the first asynchronous, task-based formulation of the polar decomposition and its corresponding implementation on manycore architectures. Based on a formulation of the iterative QR dynamically-weighted Halley algorithm (QDWH) for the calculation of the polar decomposition, the proposed implementation replaces the original LU factorization for the condition number estimator by the more adequate QR factorization to enable software portability across various architectures. Relying on fine-grained computations, the novel task-based implementation is capable of taking advantage of the identity structure of the matrix involved during the QDWH iterations, which decreases the overall algorithmic complexity. Furthermore, the artifactual synchronization points have been weakened compared to previous implementations, unveiling look-ahead opportunities for better hardware occupancy. The overall QDWH-based polar decomposition can then be represented as a directed acyclic graph (DAG), where nodes represent computational tasks and edges define the inter-task data dependencies. The StarPU dynamic runtime system is employed to traverse the DAG, to track the various data dependencies and to asynchronously schedule the computational tasks on the underlying hardware resources, resulting in an out-of-order task scheduling. Benchmarking experiments show significant improvements against existing state-of-the-art high performance implementations for the polar decomposition on latest shared-memory vendors\\' systems, while maintaining numerical accuracy.

Advances in natural deduction a celebration of Dag Prawitz's work

CERN Document Server

Haeusler, Edward; Paiva, Valeria

2014-01-01

This collection of papers celebrating the contributions of Swedish logician Dag Prawitz to Proof Theory, has been assembled from those presented at the Natural Deduction conference organized in Rio de Janeiro to honour his  seminal  research. Dag Prawitz’s work forms the basis of intuitionistic type theory and his inversion principle constitutes the foundation of most modern accounts of proof-theoretic semantics in Logic, Linguistics and  Theoretical Computer Science. The range of contributions includes material on the extension of natural deduction with higher-order rules, as opposed to higher-order connectives, and a paper discussing the application of natural deduction rules to dealing with equality in predicate calculus. The volume continues with a key chapter summarizing work on the extension of the Curry-Howard isomorphism (itself a by-product of the work on natural deduction), via methods of category theory that have been successfully applied to linear logic, as well as many other contributions fr...

Three essays on price dynamics and causations among energy markets and macroeconomic information

Science.gov (United States)

Hong, Sung Wook

This dissertation examines three important issues in energy markets: price dynamics, information flow, and structural change. We discuss each issue in detail, building empirical time series models, analyzing the results, and interpreting the findings. First, we examine the contemporaneous interdependencies and information flows among crude oil, natural gas, and electricity prices in the United States (US) through the multivariate generalized autoregressive conditional heteroscedasticity (MGARCH) model, Directed Acyclic Graph (DAG) for contemporaneous causal structures and Bernanke factorization for price dynamic processes. Test results show that the DAG from residuals of out-of-sample-forecast is consistent with the DAG from residuals of within-sample-fit. The result supports innovation accounting analysis based on DAGs using residuals of out-of-sample-forecast. Second, we look at the effects of the federal fund rate and/or WTI crude oil price shock on US macroeconomic and financial indicators by using a Factor Augmented Vector Autoregression (FAVAR) model and a graphical model without any deductive assumption. The results show that, in contemporaneous time, the federal fund rate shock is exogenous as the identifying assumption in the Vector Autoregression (VAR) framework of the monetary shock transmission mechanism, whereas the WTI crude oil price return is not exogenous. Third, we examine price dynamics and contemporaneous causality among the price returns of WTI crude oil, gasoline, corn, and the S&P 500. We look for structural break points and then build an econometric model to find the consistent sub-periods having stable parameters in a given VAR framework and to explain recent movements and interdependency among returns. We found strong evidence of two structural breaks and contemporaneous causal relationships among the residuals, but also significant differences between contemporaneous causal structures for each sub-period.

Worst-case Throughput Analysis for Parametric Rate and Parametric Actor Execution Time Scenario-Aware Dataflow Graphs

Directory of Open Access Journals (Sweden)

Mladen Skelin

2014-03-01

Full Text Available Scenario-aware dataflow (SADF is a prominent tool for modeling and analysis of dynamic embedded dataflow applications. In SADF the application is represented as a finite collection of synchronous dataflow (SDF graphs, each of which represents one possible application behaviour or scenario. A finite state machine (FSM specifies the possible orders of scenario occurrences. The SADF model renders the tightest possible performance guarantees, but is limited by its finiteness. This means that from a practical point of view, it can only handle dynamic dataflow applications that are characterized by a reasonably sized set of possible behaviours or scenarios. In this paper we remove this limitation for a class of SADF graphs by means of SADF model parametrization in terms of graph port rates and actor execution times. First, we formally define the semantics of the model relevant for throughput analysis based on (max,+ linear system theory and (max,+ automata. Second, by generalizing some of the existing results, we give the algorithms for worst-case throughput analysis of parametric rate and parametric actor execution time acyclic SADF graphs with a fully connected, possibly infinite state transition system. Third, we demonstrate our approach on a few realistic applications from digital signal processing (DSP domain mapped onto an embedded multi-processor architecture.

Antiviral acyclic nucleoside phosphonates: New structures and prodrugs

Czech Academy of Sciences Publication Activity Database

Krečmerová, Marcela; Tichý, Tomáš; Pomeisl, Karel; Andrei, G.; Balzarini, J.; Snoeck, R.

2016-01-01

Roč. 1, č. 2 (2016), s. 37 [PharmaMed-2016. International Conference on Medicinal and Pharmaceutical Chemistry . 05.12.2016-07.12.2016, Dubai] R&D Projects: GA ČR(CZ) GA14-00522S Institutional support: RVO:61388963 Keywords : acyclic nucleoside phosphonates * prodrugs * antivirals * 5-azacytosine Subject RIV: CC - Organic Chemistry

The Meaning-making of Dag Hammarskjöld

Directory of Open Access Journals (Sweden)

Kristian Stålne

2011-10-01

Full Text Available Dag Hammarskjöld, United Nations’ second Secretary-General 1954-1961, is getting recent attention for two reasons: he is going to front the new Swedish 1000-kronor note, the highest value; and this September it was 50 years since he was killed in an airplane crash in UN service in Congo. With that event, the most successful career in an international service that a Swede has ever had was terminated prematurely, a service that would set an unmistakable imprint on the UN organization as well as on the world stage of politics. But what made Dag Hammarskjöld such an exceptional leader and how did he view the world and his role in it? He was not only exceptional as a leader and world-centric visionary; he was also a mystic and an aesthetician with a highly analytic mind. What is unique is the fact that large parts of his thinking and personal struggling are available to the world through a dense material of his speeches and personal writings. This has made it possible to analyse the stages of development represented in them. Using ego development theory, described by Jane Loevinger as well as Robert Kegan, I offer the analysis that his writings, including during his most severe personal crisis, indicate he passed through a transition between the individualist and autonomous stages.

The DAG project, a 4m class telescope: the telescope main structure performances

Science.gov (United States)

Marchiori, G.; Busatta, A.; Ghedin, L.; Marcuzzi, E.; Manfrin, C.; Battistel, C.; Pirnay, O.; Flebus, Carlo; Yeşilyaprak, C.; Keskin, O.; Yerli, S.

2016-07-01

Dogu Anatolu Gözlemevi (DAG-Eastern Anatolia Observatory) Project is a 4m class optical, near-infrared Telescope and suitable enclosure which will be located at an altitude of 3.170m in Erzurum, Turkey. The DAG telescope is a project fully funded by Turkish Ministry of Development and the Atatürk University of Astrophysics Research Telescope - ATASAM. The Project is being developed by the Belgian company AMOS (project leader), which is also the optics supplier and EIE GROUP, the Telescope Main Structure supplier and responsible for the final site integration. The design of the Telescope Main Structure fits in the EIE TBO Program which aims at developing a Dome/Telescope systemic optimization process for both performances and competitive costs based on previous project commitments like NTT, VLT, VST and ASTRI. The optical Configuration of the DAG Telescope is a Ritchey-Chretien with two Nasmyth foci and a 4m primary thin mirror controlled in shape and position by an Active Optic System. The main characteristics of the Telescope Main Structure are an Altitude-Azimuth light and rigid structure system with Direct Drive Systems for both axis, AZ Hydrostatic Bearing System and Altitude standard bearing system; both axes are equipped with Tape Encoder System. An innovative Control System characterizes the telescope performance.

"Ekspeditsioon Wunderlich" = "Expedition Wunderlich" / Carl-Dag Lige, Hannes Praks ; kommenteerinud Triin Ojari

Index Scriptorium Estoniae

Lige, Carl-Dag, 1982-

2016-01-01

Näitus "Ekspeditsioon Wunderlich" Eesti Arhitektuurimuuseumis. Autorid Katrin Talvik, Merilin Tee, Sabine Suuster, Martin Saar, Karl Taul, Alden Jõgisuu, Tõnu Lensment, Aadam Kaarma, Cael-Dag Lige, Hannes Praks. Näitus on Eesti Kunstiakadeemia ja Eesti Arhitektuurimuuseumi ühisprojekt

Ontologies and tag-statistics

Science.gov (United States)

Tibély, Gergely; Pollner, Péter; Vicsek, Tamás; Palla, Gergely

2012-05-01

Due to the increasing popularity of collaborative tagging systems, the research on tagged networks, hypergraphs, ontologies, folksonomies and other related concepts is becoming an important interdisciplinary area with great potential and relevance for practical applications. In most collaborative tagging systems the tagging by the users is completely ‘flat’, while in some cases they are allowed to define a shallow hierarchy for their own tags. However, usually no overall hierarchical organization of the tags is given, and one of the interesting challenges of this area is to provide an algorithm generating the ontology of the tags from the available data. In contrast, there are also other types of tagged networks available for research, where the tags are already organized into a directed acyclic graph (DAG), encapsulating the ‘is a sub-category of’ type of hierarchy between each other. In this paper, we study how this DAG affects the statistical distribution of tags on the nodes marked by the tags in various real networks. The motivation for this research was the fact that understanding the tagging based on a known hierarchy can help in revealing the hidden hierarchy of tags in collaborative tagging systems. We analyse the relation between the tag-frequency and the position of the tag in the DAG in two large sub-networks of the English Wikipedia and a protein-protein interaction network. We also study the tag co-occurrence statistics by introducing a two-dimensional (2D) tag-distance distribution preserving both the difference in the levels and the absolute distance in the DAG for the co-occurring pairs of tags. Our most interesting finding is that the local relevance of tags in the DAG (i.e. their rank or significance as characterized by, e.g., the length of the branches starting from them) is much more important than their global distance from the root. Furthermore, we also introduce a simple tagging model based on random walks on the DAG, capable of

Ontologies and tag-statistics

International Nuclear Information System (INIS)

Tibély, Gergely; Vicsek, Tamás; Pollner, Péter; Palla, Gergely

2012-01-01

Due to the increasing popularity of collaborative tagging systems, the research on tagged networks, hypergraphs, ontologies, folksonomies and other related concepts is becoming an important interdisciplinary area with great potential and relevance for practical applications. In most collaborative tagging systems the tagging by the users is completely ‘flat’, while in some cases they are allowed to define a shallow hierarchy for their own tags. However, usually no overall hierarchical organization of the tags is given, and one of the interesting challenges of this area is to provide an algorithm generating the ontology of the tags from the available data. In contrast, there are also other types of tagged networks available for research, where the tags are already organized into a directed acyclic graph (DAG), encapsulating the ‘is a sub-category of’ type of hierarchy between each other. In this paper, we study how this DAG affects the statistical distribution of tags on the nodes marked by the tags in various real networks. The motivation for this research was the fact that understanding the tagging based on a known hierarchy can help in revealing the hidden hierarchy of tags in collaborative tagging systems. We analyse the relation between the tag-frequency and the position of the tag in the DAG in two large sub-networks of the English Wikipedia and a protein-protein interaction network. We also study the tag co-occurrence statistics by introducing a two-dimensional (2D) tag-distance distribution preserving both the difference in the levels and the absolute distance in the DAG for the co-occurring pairs of tags. Our most interesting finding is that the local relevance of tags in the DAG (i.e. their rank or significance as characterized by, e.g., the length of the branches starting from them) is much more important than their global distance from the root. Furthermore, we also introduce a simple tagging model based on random walks on the DAG, capable of

DAG expression: high-throughput gene expression analysis of real-time PCR data using standard curves for relative quantification.

Directory of Open Access Journals (Sweden)

María Ballester

Full Text Available BACKGROUND: Real-time quantitative PCR (qPCR is still the gold-standard technique for gene-expression quantification. Recent technological advances of this method allow for the high-throughput gene-expression analysis, without the limitations of sample space and reagent used. However, non-commercial and user-friendly software for the management and analysis of these data is not available. RESULTS: The recently developed commercial microarrays allow for the drawing of standard curves of multiple assays using the same n-fold diluted samples. Data Analysis Gene (DAG Expression software has been developed to perform high-throughput gene-expression data analysis using standard curves for relative quantification and one or multiple reference genes for sample normalization. We discuss the application of DAG Expression in the analysis of data from an experiment performed with Fluidigm technology, in which 48 genes and 115 samples were measured. Furthermore, the quality of our analysis was tested and compared with other available methods. CONCLUSIONS: DAG Expression is a freely available software that permits the automated analysis and visualization of high-throughput qPCR. A detailed manual and a demo-experiment are provided within the DAG Expression software at http://www.dagexpression.com/dage.zip.

Intramolecular cascade rearrangements of enynamine derived ketenimines: access to acyclic and cyclic amidines.

Science.gov (United States)

Chauhan, Dinesh Pratapsinh; Varma, Sreejith J; Gudem, Mahesh; Panigrahi, Nihar; Singh, Khushboo; Hazra, Anirban; Talukdar, Pinaki

2017-06-07

Copper-catalyzed reaction of enynamines with sulfonylazides provides acyclic and cyclic amidines. Nucleophilic addition of the tethered amino group on the in situ generated ketenimine forms a six-membered cyclic zwitterionic intermediate which facilitates migration of the tethered amino group to the C 5 -center giving the acyclic amidine. On the other hand, migration of a substituent on the amino group to C 2 - and C 4 -centers results in the formation of cyclic amidines. Computational studies were carried out to validate the mechanism which indicates that the product distribution of the process depends on the substitutions on the enynamine backbone.

60 kvinnor per dag undersoeks nu med vaerldsunikt digitalt mammografisystem fraan Sectra

CERN Multimedia

2003-01-01

"Helsingborgs kvinnor faar kraftigt saenkt straaldos fraan mammografi60 kvinnor per dag undersoeks nu med vaerldsunikt digitalt mammografisystem fraan SectraSectras digitala mammografisystem, Sectra MicroDose Mammography, har nu passerat 1.500 undersoekta kvinnor inom Helsingborgs Lasaretts screeningprogram foer mammografi" (1 page).

[A retrieval method of drug molecules based on graph collapsing].

Science.gov (United States)

Qu, J W; Lv, X Q; Liu, Z M; Liao, Y; Sun, P H; Wang, B; Tang, Z

2018-04-18

To establish a compact and efficient hypergraph representation and a graph-similarity-based retrieval method of molecules to achieve effective and efficient medicine information retrieval. Chemical structural formula (CSF) was a primary search target as a unique and precise identifier for each compound at the molecular level in the research field of medicine information retrieval. To retrieve medicine information effectively and efficiently, a complete workflow of the graph-based CSF retrieval system was introduced. This system accepted the photos taken from smartphones and the sketches drawn on tablet personal computers as CSF inputs, and formalized the CSFs with the corresponding graphs. Then this paper proposed a compact and efficient hypergraph representation for molecules on the basis of analyzing factors that directly affected the efficiency of graph matching. According to the characteristics of CSFs, a hierarchical collapsing method combining graph isomorphism and frequent subgraph mining was adopted. There was yet a fundamental challenge, subgraph overlapping during the collapsing procedure, which hindered the method from establishing the correct compact hypergraph of an original CSF graph. Therefore, a graph-isomorphism-based algorithm was proposed to select dominant acyclic subgraphs on the basis of overlapping analysis. Finally, the spatial similarity among graphical CSFs was evaluated by multi-dimensional measures of similarity. To evaluate the performance of the proposed method, the proposed system was firstly compared with Wikipedia Chemical Structure Explorer (WCSE), the state-of-the-art system that allowed CSF similarity searching within Wikipedia molecules dataset, on retrieval accuracy. The system achieved higher values on mean average precision, discounted cumulative gain, rank-biased precision, and expected reciprocal rank than WCSE from the top-2 to the top-10 retrieved results. Specifically, the system achieved 10%, 1.41, 6.42%, and 1

Polynomial kernels for deletion to classes of acyclic digraphs

NARCIS (Netherlands)

Mnich, Matthias; van Leeuwen, E.J.

2017-01-01

We consider the problem to find a set X of vertices (or arcs) with |X| ≤ k in a given digraph G such that D = G − X is an acyclic digraph. In its generality, this is Directed Feedback Vertex Set (or Directed Feedback Arc Set); the existence of a polynomial kernel for these problems is a notorious

Towards Optimal Event Detection and Localization in Acyclic Flow Networks

KAUST Repository

Agumbe Suresh, Mahima

2012-01-03

Acyclic flow networks, present in many infrastructures of national importance (e.g., oil & gas and water distribution systems), have been attracting immense research interest. Existing solutions for detecting and locating attacks against these infrastructures, have been proven costly and imprecise, especially when dealing with large scale distribution systems. In this paper, to the best of our knowledge for the first time, we investigate how mobile sensor networks can be used for optimal event detection and localization in acyclic flow networks. Sensor nodes move along the edges of the network and detect events (i.e., attacks) and proximity to beacon nodes with known placement in the network. We formulate the problem of minimizing the cost of monitoring infrastructure (i.e., minimizing the number of sensor and beacon nodes deployed), while ensuring a degree of sensing coverage in a zone of interest and a required accuracy in locating events. We propose algorithms for solving these problems and demonstrate their effectiveness with results obtained from a high fidelity simulator.

Impossibility of an acyclic relativistic electric motor

Energy Technology Data Exchange (ETDEWEB)

Spavieri, G [Universidad de Los Andes, Merida (Venezuela); Cavalleri, G [Milan Univ. (Italy). Ist. di Fisica; Spinelli, G [Padua Univ. (Italy). Ist. di Matematica Applicata

1981-02-11

The relativistic torque acting on a circuit carrying a current and having a uniform translatory motion in a constant and uniform electric field would seem to suggest the possibility of an acyclic relativistic electric motor. However, the net effect on the side parallel to the rotation axis is exactly balanced by the variation of the angular momentum (in the case of an insulating circuit transporting electric charges) or by the external moment due to the magnetic field (in the case of a conducting circuit) acting on the two sides perpendicular to the rotation axis.

On Event Detection and Localization in Acyclic Flow Networks

KAUST Repository

Suresh, Mahima Agumbe

2013-05-01

Acyclic flow networks, present in many infrastructures of national importance (e.g., oil and gas and water distribution systems), have been attracting immense research interest. Existing solutions for detecting and locating attacks against these infrastructures have been proven costly and imprecise, particularly when dealing with large-scale distribution systems. In this article, to the best of our knowledge, for the first time, we investigate how mobile sensor networks can be used for optimal event detection and localization in acyclic flow networks. We propose the idea of using sensors that move along the edges of the network and detect events (i.e., attacks). To localize the events, sensors detect proximity to beacons, which are devices with known placement in the network. We formulate the problem of minimizing the cost of monitoring infrastructure (i.e., minimizing the number of sensors and beacons deployed) in a predetermined zone of interest, while ensuring a degree of coverage by sensors and a required accuracy in locating events using beacons. We propose algorithms for solving the aforementioned problem and demonstrate their effectiveness with results obtained from a realistic flow network simulator.

Metabolism of acyclic and cyclic N-nitroamines by cultured human colon

DEFF Research Database (Denmark)

Autrup, Herman; Harris, Curtis C.; Trump, Benjamin F.

1978-01-01

Cultured human colon mucosa was found to metabolize both acyclic and cyclic N-nitrosamines as measured by 14C-CO2 formation and reaction of the activated moieties with cellular macromolecules. Dimethylnitrosamine and N-nitrosopyrrolidine were metabolized by explants from all patients studied. A p...

Asynchronous Task-Based Polar Decomposition on Manycore Architectures

KAUST Repository

Sukkari, Dalal

2016-10-25

This paper introduces the first asynchronous, task-based implementation of the polar decomposition on manycore architectures. Based on a new formulation of the iterative QR dynamically-weighted Halley algorithm (QDWH) for the calculation of the polar decomposition, the proposed implementation replaces the original and hostile LU factorization for the condition number estimator by the more adequate QR factorization to enable software portability across various architectures. Relying on fine-grained computations, the novel task-based implementation is also capable of taking advantage of the identity structure of the matrix involved during the QDWH iterations, which decreases the overall algorithmic complexity. Furthermore, the artifactual synchronization points have been severely weakened compared to previous implementations, unveiling look-ahead opportunities for better hardware occupancy. The overall QDWH-based polar decomposition can then be represented as a directed acyclic graph (DAG), where nodes represent computational tasks and edges define the inter-task data dependencies. The StarPU dynamic runtime system is employed to traverse the DAG, to track the various data dependencies and to asynchronously schedule the computational tasks on the underlying hardware resources, resulting in an out-of-order task scheduling. Benchmarking experiments show significant improvements against existing state-of-the-art high performance implementations (i.e., Intel MKL and Elemental) for the polar decomposition on latest shared-memory vendors\\' systems (i.e., Intel Haswell/Broadwell/Knights Landing, NVIDIA K80/P100 GPUs and IBM Power8), while maintaining high numerical accuracy.

A novel approach of collision assessment for coastal radar surveillance

International Nuclear Information System (INIS)

Ma, Feng; Chen, Yu-wang; Huang, Zi-chao; Yan, Xin-ping; Wang, Jin

2016-01-01

For coastal radar surveillance, this paper proposes a data-driven approach to estimate a blip's collision probability preliminarily based on two factors: the probability of it being a moving vessel and the collision potential of its position. The first factor is determined by a Directed Acyclic Graph (DAG), whose nodes represent the blip's characteristics, including the velocity, direction and size. Additionally, the structure and conditional probability tables of the DAG can be learned from verified samples. Subsequently, obstacles in a waterway can be described as collision potential fields using an Artificial Potential Field model, and the corresponding coefficients can be trained in accordance with the historical vessel distribution. Then, the other factor, the positional collision potential of any position is obtained through overlapping all the collision potential fields. For simplicity, only static obstacles have been considered. Eventually, the two factors are characterised as evidence, and the collision probability of a blip is estimated by combining them with Dempster's rule. Through ranking blips on collision probabilities, those that pose high threat to safety can be picked up in advance to remind radar operators. Particularly, a good agreement between the proposed approach and the manual operation was found in a preliminary test. - Highlights: • Novel estimation approach of collision probability for radar blips. • Novel method to evaluate the positional collision potentials using the APF model. • Novel method to obtain the coefficients of potential fields with historical data.

DigDag, Digitalt atlas over Danmarks historisk-administrative geografi

DEFF Research Database (Denmark)

Knudsen, Bo Nissen; Gammeltoft, Peder

2012-01-01

Administrative geografiske enheder ses ofte som stabile over tid. Det er imidlertid ikke tilfældet. Der kan forekomme en række af rumlige, sociale – og sproglige – ændringer; eksempelvis navneskift, ændrede grænsedragninger og ændringer i den administrative struktur. Dette betyder at forskning som...... tager udgangspunkt i geografisk relaterede eller ordnede data, kan komme i problemer så snart geografien på dataindsamlingstidspunktet ikke svarer til den nuværende geografi, og den 'gamle' geografi ikke er umiddelbart til at få rede på. DigDag-projektet adresserer denne udfordring for forskere inden...

A new recursive incremental algorithm for building minimal acyclic deterministic finite automata

NARCIS (Netherlands)

Watson, B.W.; Martin-Vide, C.; Mitrana, V.

2003-01-01

This chapter presents a new algorithm for incrementally building minimal acyclic deterministic finite automata. Such minimal automata are a compact representation of a finite set of words (e.g. in a spell checker). The incremental aspect of such algorithms (where the intermediate automaton is

On acyclicity of games with cycles

DEFF Research Database (Denmark)

Andersson, Klas Olof Daniel; Hansen, Thomas Dueholm; Gurvich, Vladimir

2010-01-01

We study restricted improvement cycles (ri-cycles) in finite positional n-person games with perfect information modeled by directed graphs (di-graphs) that may contain directed cycles (di-cycles). We assume that all these di-cycles form one outcome c, for example, a draw. We obtain criteria...

Analyzing the effect of introducing a kurtosis parameter in Gaussian Bayesian networks

International Nuclear Information System (INIS)

Main, P.; Navarro, H.

2009-01-01

Gaussian Bayesian networks are graphical models that represent the dependence structure of a multivariate normal random variable with a directed acyclic graph (DAG). In Gaussian Bayesian networks the output is usually the conditional distribution of some unknown variables of interest given a set of evidential nodes whose values are known. The problem of uncertainty about the assumption of normality is very common in applications. Thus a sensitivity analysis of the non-normality effect in our conclusions could be necessary. The aspect of non-normality to be considered is the tail behavior. In this line, the multivariate exponential power distribution is a family depending on a kurtosis parameter that goes from a leptokurtic to a platykurtic distribution with the normal as a mesokurtic distribution. Therefore a more general model can be considered using the multivariate exponential power distribution to describe the joint distribution of a Bayesian network, with a kurtosis parameter reflecting deviations from the normal distribution. The sensitivity of the conclusions to this perturbation is analyzed using the Kullback-Leibler divergence measure that provides an interesting formula to evaluate the effect

agriGO v2.0: a GO analysis toolkit for the agricultural community, 2017 update.

Science.gov (United States)

Tian, Tian; Liu, Yue; Yan, Hengyu; You, Qi; Yi, Xin; Du, Zhou; Xu, Wenying; Su, Zhen

2017-07-03

The agriGO platform, which has been serving the scientific community for >10 years, specifically focuses on gene ontology (GO) enrichment analyses of plant and agricultural species. We continuously maintain and update the databases and accommodate the various requests of our global users. Here, we present our updated agriGO that has a largely expanded number of supporting species (394) and datatypes (865). In addition, a larger number of species have been classified into groups covering crops, vegetables, fish, birds and insects closely related to the agricultural community. We further improved the computational efficiency, including the batch analysis and P-value distribution (PVD), and the user-friendliness of the web pages. More visualization features were added to the platform, including SEACOMPARE (cross comparison of singular enrichment analysis), direct acyclic graph (DAG) and Scatter Plots, which can be merged by choosing any significant GO term. The updated platform agriGO v2.0 is now publicly accessible at http://systemsbiology.cau.edu.cn/agriGOv2/. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Analyzing the effect of introducing a kurtosis parameter in Gaussian Bayesian networks

Energy Technology Data Exchange (ETDEWEB)

Main, P. [Dpto. Estadistica e I.O., Fac. Ciencias Matematicas, Univ. Complutense de Madrid, 28040 Madrid (Spain)], E-mail: pmain@mat.ucm.es; Navarro, H. [Dpto. de Estadistica, I.O. y Calc. Numerico, Fac. Ciencias, UNED, 28040 Madrid (Spain)

2009-05-15

Gaussian Bayesian networks are graphical models that represent the dependence structure of a multivariate normal random variable with a directed acyclic graph (DAG). In Gaussian Bayesian networks the output is usually the conditional distribution of some unknown variables of interest given a set of evidential nodes whose values are known. The problem of uncertainty about the assumption of normality is very common in applications. Thus a sensitivity analysis of the non-normality effect in our conclusions could be necessary. The aspect of non-normality to be considered is the tail behavior. In this line, the multivariate exponential power distribution is a family depending on a kurtosis parameter that goes from a leptokurtic to a platykurtic distribution with the normal as a mesokurtic distribution. Therefore a more general model can be considered using the multivariate exponential power distribution to describe the joint distribution of a Bayesian network, with a kurtosis parameter reflecting deviations from the normal distribution. The sensitivity of the conclusions to this perturbation is analyzed using the Kullback-Leibler divergence measure that provides an interesting formula to evaluate the effect.

Ultrasound-assisted catalytic synthesis of acyclic imides in the presence of p-toluenesulfonic acid under solvent free conditions

Directory of Open Access Journals (Sweden)

Nasr-Esfahani Masoud

2012-01-01

Full Text Available A rapid and convenient preparation of acyclic imides by the reaction of aliphatic and aromatic nitriles with acyclic carboxylic anhydride in the presence of catalytic amounts of p-toluenesulfonic acid under thermal or ultrasonic conditions is reported. The advantages of this procedure are moderate reaction times, good to excellent yields, use of inexpensive and ecofriendly catalyst. The reaction of nitriles with aliphatic anhydrides proceeds in thermal conditions, while by the use of ultrasound irradiations these reactions get accelerated.

Existence principles for inclusions of Hammerstein type involving noncompact acyclic multivalued maps

Directory of Open Access Journals (Sweden)

Jean-Francois Couchouron

2002-01-01

Full Text Available We apply Monch type fixed point theorems for acyclic multivalued maps to the solvability of inclusions of Hammerstein type in Banach spaces. Our approach makes possible to unify and improve the existence theories for nonlinear evolution problems and abstract integral inclusions of Volterra and Fredholm type.

New algorithm improves fine structure of the barley consensus SNP map

Directory of Open Access Journals (Sweden)

Endelman Jeffrey B

2011-08-01

Full Text Available Abstract Background The need to integrate information from multiple linkage maps is a long-standing problem in genetics. One way to visualize the complex ordinal relationships is with a directed graph, where each vertex in the graph is a bin of markers. When there are no ordering conflicts between the linkage maps, the result is a directed acyclic graph, or DAG, which can then be linearized to produce a consensus map. Results New algorithms for the simplification and linearization of consensus graphs have been implemented as a package for the R computing environment called DAGGER. The simplified consensus graphs produced by DAGGER exactly capture the ordinal relationships present in a series of linkage maps. Using either linear or quadratic programming, DAGGER generates a consensus map with minimum error relative to the linkage maps while remaining ordinally consistent with them. Both linearization methods produce consensus maps that are compressed relative to the mean of the linkage maps. After rescaling, however, the consensus maps had higher accuracy (and higher marker density than the individual linkage maps in genetic simulations. When applied to four barley linkage maps genotyped at nearly 3000 SNP markers, DAGGER produced a consensus map with improved fine structure compared to the existing barley consensus SNP map. The root-mean-squared error between the linkage maps and the DAGGER map was 0.82 cM per marker interval compared to 2.28 cM for the existing consensus map. Examination of the barley hardness locus at the 5HS telomere, for which there is a physical map, confirmed that the DAGGER output was more accurate for fine structure analysis. Conclusions The R package DAGGER is an effective, freely available resource for integrating the information from a set of consistent linkage maps.

Using Graph and Vertex Entropy to Compare Empirical Graphs with Theoretical Graph Models

Directory of Open Access Journals (Sweden)

Tomasz Kajdanowicz

2016-09-01

Full Text Available Over the years, several theoretical graph generation models have been proposed. Among the most prominent are: the Erdős–Renyi random graph model, Watts–Strogatz small world model, Albert–Barabási preferential attachment model, Price citation model, and many more. Often, researchers working with real-world data are interested in understanding the generative phenomena underlying their empirical graphs. They want to know which of the theoretical graph generation models would most probably generate a particular empirical graph. In other words, they expect some similarity assessment between the empirical graph and graphs artificially created from theoretical graph generation models. Usually, in order to assess the similarity of two graphs, centrality measure distributions are compared. For a theoretical graph model this means comparing the empirical graph to a single realization of a theoretical graph model, where the realization is generated from the given model using an arbitrary set of parameters. The similarity between centrality measure distributions can be measured using standard statistical tests, e.g., the Kolmogorov–Smirnov test of distances between cumulative distributions. However, this approach is both error-prone and leads to incorrect conclusions, as we show in our experiments. Therefore, we propose a new method for graph comparison and type classification by comparing the entropies of centrality measure distributions (degree centrality, betweenness centrality, closeness centrality. We demonstrate that our approach can help assign the empirical graph to the most similar theoretical model using a simple unsupervised learning method.

Secretion of antiretroviral chemokines by human cells cultured with acyclic nucleoside phosphonates

Czech Academy of Sciences Publication Activity Database

Zídek, Zdeněk; Kmoníčková, Eva; Holý, Antonín

2007-01-01

Roč. 574, - (2007), s. 77-84 ISSN 0014-2999 R&D Projects: GA MŠk 1M0508 Institutional research plan: CEZ:AV0Z50390512; CEZ:AV0Z40550506 Keywords : Acyclic nucleoside phosphonate * Chemokine * Cytokine Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 2.376, year: 2007

Highly selective Ba2+ separations with acyclic, lipophilic di-[N-(X)sulfonyl carbamoyl] polyethers.

Science.gov (United States)

Elshani, Sadik; Chun, Sangki; Amiri-Eliasi, Bijan; Bartsch, Richard A

2005-01-14

New lipophilic acyclic polyethers with two N-(X)sulfonyl carbamoyl groups of "tunable" acidity exhibit remarkable selectivity for Ba2+ over other alkaline earth metal ions in competitive solvent extraction and transport across polymer inclusion membranes.

Comparison of construction algorithms for minimal, acyclic, deterministic, finite-state automata from sets of strings

NARCIS (Netherlands)

Daciuk, J; Champarnaud, JM; Maurel, D

2003-01-01

This paper compares various methods for constructing minimal, deterministic, acyclic, finite-state automata (recognizers) from sets of words. Incremental, semi-incremental, and non-incremental methods have been implemented and evaluated.

Võitlus Baltikumi pärast - 15 aastat hiljem / Dag Sebastian Ahlander ; interv. Allan Alaküla

Index Scriptorium Estoniae

Ahlander, Dag Sebastian

2006-01-01

Endine Rootsi peakonsul Leningradis Dag Sebastian Ahlander teeb tagasivaate 1991. aasta sündmustele ning annab omapoolse hinnangu tänapäeva Baltimaadele. Praegu juhib autor Rootsi välisministeeriumi protokollitööd ning kandideerib ka parlamenti

Insener Heinrich Laul ja Eesti XX sajandi ehituskultuur / Maris Suits, Carl-Dag Lige

Index Scriptorium Estoniae

Suits, Maris

2010-01-01

Näitus "Heinrich Laul 100" Tallinna Tehnikaülikoolis 10. sept.-4. okt. 2010. Näituse koostajad: Maris Suits (Eesti Kunstiakadeemia), Carl-Dag Lige (Helsingi Ülikool), Milvi Vahtra (TTÜ), näituse korraldajad: Signe Jantson ja Karl Õiger (TTÜ). Ehitusinsenerist ja -teadlasest Heinrich Laulust, tema tegevusest, seostest August Komendandiga. Koorikute koolkonnast ja teaduspõhisest ehituspraktikast. Tallinna laululavast. Seminarist ja H. Laulu artiklikogumikust

New prodrugs of two pyrimidine acyclic nucleoside phosphonates: Synthesis and antiviral activity

Czech Academy of Sciences Publication Activity Database

Krečmerová, Marcela; Dračínský, Martin; Snoeck, R.; Balzarini, J.; Pomeisl, Karel; Andrei, G.

2017-01-01

Roč. 25, č. 17 (2017), s. 4637-4648 ISSN 0968-0896 R&D Projects: GA ČR(CZ) GA14-00522S Institutional support: RVO:61388963 Keywords : acyclic nucleoside phosphonates * open-ring * PMEO-DAPy * 5-azacytosine * PME-azaC * HPMP-5-azaC Subject RIV: CC - Organic Chemistry OBOR OECD: Organic chemistry Impact factor: 2.930, year: 2016

A graph rewriting programming language for graph drawing

OpenAIRE

Rodgers, Peter

1998-01-01

This paper describes Grrr, a prototype visual graph drawing tool. Previously there were no visual languages for programming graph drawing algorithms despite the inherently visual nature of the process. The languages which gave a diagrammatic view of graphs were not computationally complete and so could not be used to implement complex graph drawing algorithms. Hence current graph drawing tools are all text based. Recent developments in graph rewriting systems have produced computationally com...

Synthesis, structural studies and biological properties of new TBA analogues containing an acyclic nucleotide.

Science.gov (United States)

Coppola, Teresa; Varra, Michela; Oliviero, Giorgia; Galeone, Aldo; D'Isa, Giuliana; Mayol, Luciano; Morelli, Elena; Bucci, Maria-Rosaria; Vellecco, Valentina; Cirino, Giuseppe; Borbone, Nicola

2008-09-01

A new modified acyclic nucleoside, namely N(1)-(3-hydroxy-2-hydroxymethyl-2-methylpropyl)-thymidine, was synthesized and transformed into a building block useful for oligonucleotide (ON) automated synthesis. A series of modified thrombin binding aptamers (TBAs) in which the new acyclic nucleoside replaces, one at the time, the thymidine residues were then synthesized and characterized by UV, CD, MS, and (1)H NMR. The biological activity of the resulting TBAs was tested by Prothrombin Time assay (PT assay) and by purified fibrinogen clotting assay. From a structural point of view, nearly all the new TBA analogues show a similar behavior as the unmodified counterpart, being able to fold into a bimolecular or monomolecular quadruplex structure depending on the nature of monovalent cations (sodium or potassium) coordinated in the quadruplex core. From the comparison of structural and biological data, some important structure-activity relationships emerged, particularly when the modification involved the TT loops. In agreement with previous studies we found that the folding ability of TBA analogues is more affected by modifications involving positions 4 and 13, rather than positions 3 and 12. On the other hand, the highest anti-thrombin activities were detected for aptamers containing the modification at T13 or T12 positions, thus indicating that the effects produced by the introduction of the acyclic nucleoside on the biological activity are not tightly connected with structure stabilities. It is noteworthy that the modification at T7 produces an ON being more stable and active than the natural TBA.

N-Branched acyclic nucleoside phosphonates as monomers for the synthesis of modified oligonucleotides

Czech Academy of Sciences Publication Activity Database

Hocková, Dana; Rosenbergová, Šárka; Ménová, Petra; Páv, Ondřej; Pohl, Radek; Novák, Pavel; Rosenberg, Ivan

2015-01-01

Roč. 13, č. 15 (2015), s. 4449-4458 ISSN 1477-0520 R&D Projects: GA ČR GAP207/11/0108; GA ČR GA13-26526S Institutional support: RVO:61388963 Keywords : acyclic nucleoside phosphonates * oligonucleotides * solid phase synthesis Subject RIV: CC - Organic Chemistry Impact factor: 3.559, year: 2015

Graph Aggregation

NARCIS (Netherlands)

Endriss, U.; Grandi, U.

Graph aggregation is the process of computing a single output graph that constitutes a good compromise between several input graphs, each provided by a different source. One needs to perform graph aggregation in a wide variety of situations, e.g., when applying a voting rule (graphs as preference

Diurnal rhythms in gonadotropins and progesterone in lactating and photoperiod induced acyclic hamsters

International Nuclear Information System (INIS)

Bridges, R.S.; Goldman, B.D.

1975-01-01

Levels of LH, FSH, and progesterone in serum were measured in lactating hamsters and in hamsters in which acyclicity was induced with altered photoperiod. Lactating hamsters were found to have low titers of LH, FSH, and progesterone in serum at 0900 (lights on 0500--1900) on Days 4, 9, 14, and 19 of lactation and increased levels of these hormones at 1600. Levels of LH and FSH in serum at both 0900 and 1600 remained relatively constant throughout lactation. In contrast, levels of progesterone in serum obtained at both 0900 and 1600 sampling times increased as lactation progressed. Ovariectomy on Day 9 of lactation reduced serum levels of progesterone at both 0900 and 1600 and eliminated the afternoon surge in progesterone in animals bled 5 days after surgery. The levels and pattern of LH in serum remained unchanged after ovariectomy in lactating hamsters. However, serum FSH levels in the ovariectomized, lactating animals were elevated at both 0900 and 1600 when compared to levels present in intact, lactating hamsters bled at the same times. Females which were acyclic due to altered photoperiod displayed similar patterns of LH, FSH, and progesterone in serum. Levels of LH, FSH, and progesterone in serum were low at 1000 (lights on 0500--1500) and were increased 2 to 10 fold at 1500. Ovariectomy was followed by lower progesterone levels in serum at 1000 and 1500 and eliminated the afternoon rise of this hormone. Serum levels of LH were unaffected by ovariectomy. As in lactating hamsters, levels of FSH in serum were elevated 3--4 days following ovariectomy at both bleeding times, but the levels were higher at 1500. These results indicate that acyclicity induced by lactation or exposure to a short photoperiod is characterized by similar diurnal patterns of circulating hormones in the hamster

Acyclic ketones in the defensive secretion of a "daddy longlegs" (Leiobunum vittatum).

Science.gov (United States)

Meinwald, J; Kluge, A F; Carrel, J E; Eisner, T

1971-07-01

The defensive secretion of the "daddy longlegs" Leiobunum vittatum was analyzed and found to contain the acyclic ketones 4-methylheptan-3-one and E-4,6-dimethyl-6-octen-3-one as its major organic components. Although 4-methylheptan-3-one has been found previously as an alarm substance in certain ant genera, the second component, whose structure is confirmed by synthesis, is new.

Proxy Graph: Visual Quality Metrics of Big Graph Sampling.

Science.gov (United States)

Nguyen, Quan Hoang; Hong, Seok-Hee; Eades, Peter; Meidiana, Amyra

2017-06-01

Data sampling has been extensively studied for large scale graph mining. Many analyses and tasks become more efficient when performed on graph samples of much smaller size. The use of proxy objects is common in software engineering for analysis and interaction with heavy objects or systems. In this paper, we coin the term 'proxy graph' and empirically investigate how well a proxy graph visualization can represent a big graph. Our investigation focuses on proxy graphs obtained by sampling; this is one of the most common proxy approaches. Despite the plethora of data sampling studies, this is the first evaluation of sampling in the context of graph visualization. For an objective evaluation, we propose a new family of quality metrics for visual quality of proxy graphs. Our experiments cover popular sampling techniques. Our experimental results lead to guidelines for using sampling-based proxy graphs in visualization.

Chromatic graph theory

CERN Document Server

Chartrand, Gary; Rosen, Kenneth H

2008-01-01

Beginning with the origin of the four color problem in 1852, the field of graph colorings has developed into one of the most popular areas of graph theory. Introducing graph theory with a coloring theme, Chromatic Graph Theory explores connections between major topics in graph theory and graph colorings as well as emerging topics. This self-contained book first presents various fundamentals of graph theory that lie outside of graph colorings, including basic terminology and results, trees and connectivity, Eulerian and Hamiltonian graphs, matchings and factorizations, and graph embeddings. The remainder of the text deals exclusively with graph colorings. It covers vertex colorings and bounds for the chromatic number, vertex colorings of graphs embedded on surfaces, and a variety of restricted vertex colorings. The authors also describe edge colorings, monochromatic and rainbow edge colorings, complete vertex colorings, several distinguishing vertex and edge colorings, and many distance-related vertex coloring...

EFSA Panel on Dietetic Products, Nutrition and Allergies (NDA); Scientific Opinion on the substantiation of a health claim related to diacylglycerol (DAG) oil and reduction of body weight pursuant to Article 13(5) of Regulation (EC) No 1924/2006

DEFF Research Database (Denmark)

Tetens, Inge

claim related to diacylglycerol oil and reduction of body weight. The food constituent, diacylglycerol (DAG) oil, and the food constituents, vegetable oils of similar fatty acid composition containing mostly (>90%) triacylglycerol (TAG), which DAG oil should replace in order to obtain the claimed effect...... conclusions to be drawn for the scientific substantiation of the claim. The results from six RCTs with respect to the effect of DAG oil (as a replacement of TAG oils) on body weight are inconsistent and apparently unrelated to the DAG dose, study size or study duration, and the evidence provided in support...... of mechanisms by which DAG oil could exert the claimed effect in humans under the proposed conditions of use is not convincing. One unpublished meta-analysis on the effects of DAG oil (as compared to TAG oils) on body weight in humans which included data from all these RCTs was also provided. The meta...

Enzymatic study on AtCCD4 and AtCCD7 and their potential to form acyclic regulatory metabolites

KAUST Repository

Bruno, Mark

2016-09-29

The Arabidopsis carotenoid cleavage dioxygenase 4 (AtCCD4) is a negative regulator of the carotenoid content of seeds and has recently been suggested as a candidate for the generation of retrograde signals that are thought to derive from the cleavage of poly-cis-configured carotene desaturation intermediates. In this work, we investigated the activity of AtCCD4 in vitro and used dynamic modeling to determine its substrate preference. Our results document strict regional specificity for cleavage at the C9–C10 double bond in carotenoids and apocarotenoids, with preference for carotenoid substrates and an obstructing effect on hydroxyl functions, and demonstrate the specificity for all-trans-configured carotenes and xanthophylls. AtCCD4 cleaved substrates with at least one ionone ring and did not convert acyclic carotene desaturation intermediates, independent of their isomeric states. These results do not support a direct involvement of AtCCD4 in generating the supposed regulatory metabolites. In contrast, the strigolactone biosynthetic enzyme AtCCD7 converted 9-cis-configured acyclic carotenes, such as 9-cis-ζ-carotene, 9\\'-cis-neurosporene, and 9-cis-lycopene, yielding 9-cis-configured products and indicating that AtCCD7, rather than AtCCD4, is the candidate for forming acyclic retrograde signals.

Enzymatic study on AtCCD4 and AtCCD7 and their potential to form acyclic regulatory metabolites

KAUST Repository

Bruno, Mark; Koschmieder, Julian; Wuest, Florian; Schaub, Patrick; Fehling-Kaschek, Mirjam; Timmer, Jens; Beyer, Peter; Al-Babili, Salim

2016-01-01

The Arabidopsis carotenoid cleavage dioxygenase 4 (AtCCD4) is a negative regulator of the carotenoid content of seeds and has recently been suggested as a candidate for the generation of retrograde signals that are thought to derive from the cleavage of poly-cis-configured carotene desaturation intermediates. In this work, we investigated the activity of AtCCD4 in vitro and used dynamic modeling to determine its substrate preference. Our results document strict regional specificity for cleavage at the C9–C10 double bond in carotenoids and apocarotenoids, with preference for carotenoid substrates and an obstructing effect on hydroxyl functions, and demonstrate the specificity for all-trans-configured carotenes and xanthophylls. AtCCD4 cleaved substrates with at least one ionone ring and did not convert acyclic carotene desaturation intermediates, independent of their isomeric states. These results do not support a direct involvement of AtCCD4 in generating the supposed regulatory metabolites. In contrast, the strigolactone biosynthetic enzyme AtCCD7 converted 9-cis-configured acyclic carotenes, such as 9-cis-ζ-carotene, 9'-cis-neurosporene, and 9-cis-lycopene, yielding 9-cis-configured products and indicating that AtCCD7, rather than AtCCD4, is the candidate for forming acyclic retrograde signals.

Enzymatic study on AtCCD4 and AtCCD7 and their potential to form acyclic regulatory metabolites

Science.gov (United States)

Bruno, Mark; Koschmieder, Julian; Wuest, Florian; Schaub, Patrick; Fehling-Kaschek, Mirjam; Timmer, Jens; Beyer, Peter; Al-Babili, Salim

2016-01-01

The Arabidopsis carotenoid cleavage dioxygenase 4 (AtCCD4) is a negative regulator of the carotenoid content of seeds and has recently been suggested as a candidate for the generation of retrograde signals that are thought to derive from the cleavage of poly-cis-configured carotene desaturation intermediates. In this work, we investigated the activity of AtCCD4 in vitro and used dynamic modeling to determine its substrate preference. Our results document strict regional specificity for cleavage at the C9–C10 double bond in carotenoids and apocarotenoids, with preference for carotenoid substrates and an obstructing effect on hydroxyl functions, and demonstrate the specificity for all-trans-configured carotenes and xanthophylls. AtCCD4 cleaved substrates with at least one ionone ring and did not convert acyclic carotene desaturation intermediates, independent of their isomeric states. These results do not support a direct involvement of AtCCD4 in generating the supposed regulatory metabolites. In contrast, the strigolactone biosynthetic enzyme AtCCD7 converted 9-cis-configured acyclic carotenes, such as 9-cis-ζ-carotene, 9'-cis-neurosporene, and 9-cis-lycopene, yielding 9-cis-configured products and indicating that AtCCD7, rather than AtCCD4, is the candidate for forming acyclic retrograde signals. PMID:27811075

Outstanding effects on antithrombin activity of modified TBA diastereomers containing an optically pure acyclic nucleotide analogue.

Science.gov (United States)

Scuotto, M; Persico, M; Bucci, M; Vellecco, V; Borbone, N; Morelli, E; Oliviero, G; Novellino, E; Piccialli, G; Cirino, G; Varra, M; Fattorusso, C; Mayol, L

2014-07-28

Herein, we report optically pure modified acyclic nucleosides as ideal probes for aptamer modification. These new monomers offer unique advantages in exploring the role played in thrombin inhibition by a single residue modification at key positions of the TBA structure.

Acyclic nucleoside phosphonate antivirals activate gene expression of monocyte chemotactic protein 1 and 3.

Czech Academy of Sciences Publication Activity Database

Potměšil, Petr; Holý, Antonín; Kmoníčková, Eva; Křížková, Jana; Zídek, Zdeněk

2007-01-01

Roč. 14, č. 1 (2007), s. 59-66 ISSN 1021-7770 R&D Projects: GA MŠk 1M0508 Institutional research plan: CEZ:AV0Z50390512; CEZ:AV0Z40550506 Keywords : Acyclic nucleoside phosponate * HIV * Monocyte chemotactic protein Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 2.024, year: 2007

The preparation of 3-H-labeled Acyclic Nucleoside Phosphonates and Study of their Stability

Czech Academy of Sciences Publication Activity Database

Elbert, Tomáš; Břehová, Petra; Holý, Antonín

2010-01-01

Roč. 75, č. 7 (2010), s. 757-766 ISSN 0010-0765 R&D Projects: GA MŠk 1M0508; GA AV ČR IAA400550801 Institutional research plan: CEZ:AV0Z40550506 Keywords : tritium * 3-H NMR * acyclic nucleotide analogues Subject RIV: CC - Organic Chemistry Impact factor: 0.853, year: 2010

Synthesis, spectroscopic and biological activities studies of acyclic and macrocyclic mono and binuclear metal complexes containing a hard-soft Schiff base.

Science.gov (United States)

Abou-Hussein, Azza A A; Linert, Wolfgang

2012-09-01

Mono- and bi-nuclear acyclic and macrocyclic complexes with hard-soft Schiff base, H(2)L, ligand derived from the reaction of 4,6-diacetylresorcinol and thiocabohydrazide, in the molar ratio 1:2 have been prepared. The H(2)L ligand reacts with Co(II), Ni(II), Cu(II), Zn(II), Mn(II) and UO(2)(VI) nitrates, VO(IV) sulfate and Ru(III) chloride to get acyclic binuclear complexes except for VO(IV) and Ru(III) which gave acyclic mono-nuclear complexes. Reaction of the acyclic mono-nuclear VO(IV) and Ru(III) complexes with 4,6-diacetylresorcinol afforded the corresponding macrocyclic mono-nuclear VO(IV) and Ru(IIII) complexes. Template reactions of the 4,6-diacetylresorcinol and thiocarbohydrazide with either VO(IV) or Ru(III) salts afforded the macrocyclic binuclear VO(IV) and Ru(III) complexes. The Schiff base, H(2)L, ligand acts as dibasic with two NSO-tridentate sites and can coordinate with two metal ions to form binuclear complexes after the deprotonation of the hydrogen atoms of the phenolic groups in all the complexes, except in the case of the acyclic mononuclear Ru(III) and VO(IV) complexes, where the Schiff base behaves as neutral tetradentate chelate with N(2)S(2) donor atoms. The ligands and the metal complexes were characterized by elemental analysis, IR, UV-vis (1)H-NMR, thermal gravimetric analysis (TGA) and ESR, as well as the measurements of conductivity and magnetic moments at room temperature. Electronic spectra and magnetic moments of the complexes indicate the geometries of the metal centers are either tetrahedral, square planar or octahedral. Kinetic and thermodynamic parameters were calculated using Coats-Redfern equation, for the different thermal decomposition steps of the complexes. The ligands and the metal complexes were screened for their antimicrobial activity against Staphylococcus aureus as Gram-positive bacteria, and Pseudomonas fluorescens as Gram-negative bacteria in addition to Fusarium oxysporum fungus. Most of the complexes exhibit

Design and Synthesis of Fluorescent Acyclic Nucleoside Phosphonates as Potent Inhibitors of Bacterial Adenylate Cyclases

Czech Academy of Sciences Publication Activity Database

Břehová, Petra; Šmídková, Markéta; Skácel, Jan; Dračínský, Martin; Mertlíková-Kaiserová, Helena; Velasquez, M. P. S.; Watts, V. J.; Janeba, Zlatko

2016-01-01

Roč. 11, č. 22 (2016), s. 2534-2546 ISSN 1860-7179 R&D Projects: GA MV VG20102015046; GA MŠk LO1302 Institutional support: RVO:61388963 Keywords : adenylate cyclase toxin * acyclic nucleoside phosphonates * anthranilic acid Subject RIV: CC - Organic Chemistry Impact factor: 3.225, year: 2016

Graph sampling

OpenAIRE

Zhang, L.-C.; Patone, M.

2017-01-01

We synthesise the existing theory of graph sampling. We propose a formal definition of sampling in finite graphs, and provide a classification of potential graph parameters. We develop a general approach of Horvitz–Thompson estimation to T-stage snowball sampling, and present various reformulations of some common network sampling methods in the literature in terms of the outlined graph sampling theory.

Acyclic Ketones in the Defensive Secretion of a “Daddy Longlegs” (Leiobunum vittatum)

Science.gov (United States)

Meinwald, J.; Kluge, A. F.; Carrel, J. E.; Eisner, T.

1971-01-01

The defensive secretion of the “daddy longlegs” Leiobunum vittatum was analyzed and found to contain the acyclic ketones 4-methylheptan-3-one and E-4,6-dimethyl-6-octen-3-one as its major organic components. Although 4-methylheptan-3-one has been found previously as an alarm substance in certain ant genera, the second component, whose structure is confirmed by synthesis, is new. PMID:5283937

Algorithms for Planar Graphs and Graphs in Metric Spaces

DEFF Research Database (Denmark)

Wulff-Nilsen, Christian

structural properties that can be exploited. For instance, a road network or a wire layout on a microchip is typically (near-)planar and distances in the network are often defined w.r.t. the Euclidean or the rectilinear metric. Specialized algorithms that take advantage of such properties are often orders...... of magnitude faster than the corresponding algorithms for general graphs. The first and main part of this thesis focuses on the development of efficient planar graph algorithms. The most important contributions include a faster single-source shortest path algorithm, a distance oracle with subquadratic...... for geometric graphs and graphs embedded in metric spaces. Roughly speaking, the stretch factor is a real value expressing how well a (geo-)metric graph approximates the underlying complete graph w.r.t. distances. We give improved algorithms for computing the stretch factor of a given graph and for augmenting...

Bayesian Estimation and Inference using Stochastic Hardware

Directory of Open Access Journals (Sweden)

Chetan Singh Thakur

2016-03-01

Full Text Available In this paper, we present the implementation of two types of Bayesian inference problems to demonstrate the potential of building probabilistic algorithms in hardware using single set of building blocks with the ability to perform these computations in real time. The first implementation, referred to as the BEAST (Bayesian Estimation and Stochastic Tracker, demonstrates a simple problem where an observer uses an underlying Hidden Markov Model (HMM to track a target in one dimension. In this implementation, sensors make noisy observations of the target position at discrete time steps. The tracker learns the transition model for target movement, and the observation model for the noisy sensors, and uses these to estimate the target position by solving the Bayesian recursive equation online. We show the tracking performance of the system and demonstrate how it can learn the observation model, the transition model, and the external distractor (noise probability interfering with the observations. In the second implementation, referred to as the Bayesian INference in DAG (BIND, we show how inference can be performed in a Directed Acyclic Graph (DAG using stochastic circuits. We show how these building blocks can be easily implemented using simple digital logic gates. An advantage of the stochastic electronic implementation is that it is robust to certain types of noise, which may become an issue in integrated circuit (IC technology with feature sizes in the order of tens of nanometers due to their low noise margin, the effect of high-energy cosmic rays and the low supply voltage. In our framework, the flipping of random individual bits would not affect the system performance because information is encoded in a bit stream.

Bayesian Estimation and Inference Using Stochastic Electronics.

Science.gov (United States)

Thakur, Chetan Singh; Afshar, Saeed; Wang, Runchun M; Hamilton, Tara J; Tapson, Jonathan; van Schaik, André

2016-01-01

In this paper, we present the implementation of two types of Bayesian inference problems to demonstrate the potential of building probabilistic algorithms in hardware using single set of building blocks with the ability to perform these computations in real time. The first implementation, referred to as the BEAST (Bayesian Estimation and Stochastic Tracker), demonstrates a simple problem where an observer uses an underlying Hidden Markov Model (HMM) to track a target in one dimension. In this implementation, sensors make noisy observations of the target position at discrete time steps. The tracker learns the transition model for target movement, and the observation model for the noisy sensors, and uses these to estimate the target position by solving the Bayesian recursive equation online. We show the tracking performance of the system and demonstrate how it can learn the observation model, the transition model, and the external distractor (noise) probability interfering with the observations. In the second implementation, referred to as the Bayesian INference in DAG (BIND), we show how inference can be performed in a Directed Acyclic Graph (DAG) using stochastic circuits. We show how these building blocks can be easily implemented using simple digital logic gates. An advantage of the stochastic electronic implementation is that it is robust to certain types of noise, which may become an issue in integrated circuit (IC) technology with feature sizes in the order of tens of nanometers due to their low noise margin, the effect of high-energy cosmic rays and the low supply voltage. In our framework, the flipping of random individual bits would not affect the system performance because information is encoded in a bit stream.

Investigating temporary acyclicity in a captive group of Asian elephants (Elephas maximus): Relationship between management, adrenal activity and social factors.

Science.gov (United States)

Edwards, Katie L; Trotter, Jessica; Jones, Martin; Brown, Janine L; Steinmetz, Hanspeter W; Walker, Susan L

2016-01-01

Routine faecal steroid monitoring has been used to aid the management of five captive Asian elephant (Elephas maximus) females at Chester Zoo, UK, since 2007. Progestagen analysis initially revealed synchronised oestrous cycles among all females. However, a 14- to 20-week period of temporary acyclicity subsequently occurred in three females, following several management changes (increased training, foot-care and intermittent matriarch removal for health reasons) and the initiation of pregnancy in another female. The aim of this study was to retrospectively investigate whether these management changes were related to increased adrenal activity and disruption of ovarian activity, or whether social factors may have been involved in the temporary cessation of cyclicity. Faecal samples collected every other day were analysed to investigate whether glucocorticoid metabolites were related to reproductive status (pregnant, cycling, acyclic) or management (training, foot-care, matriarch presence). Routine training and foot-care were not associated with adrenal activity; however, intensive foot-care to treat an abscess in one female was associated with increased glucocorticoid concentration. Matriarch presence influenced adrenal activity in three females, being lower when the matriarch was separated from the group at night compared to being always present. However, in the females that exhibited temporary acyclicity, there was no consistent relationship between glucocorticoids and cyclicity state. Although the results of this study do not fully explain this occurrence, the highly synchronised nature of oestrous cycles within this group, and the concurrent acyclicity in three females, raises the question of whether social factors could have been involved in the temporary disruption of ovarian activity. Copyright © 2015 Elsevier Inc. All rights reserved.

Degree Associated Edge Reconstruction Number of Graphs with Regular Pruned Graph

Directory of Open Access Journals (Sweden)

P. Anusha Devi

2015-10-01

Full Text Available An ecard of a graph $G$ is a subgraph formed by deleting an edge. A da-ecard specifies the degree of the deleted edge along with the ecard. The degree associated edge reconstruction number of a graph $G,~dern(G,$ is the minimum number of da-ecards that uniquely determines $G.$  The adversary degree associated edge reconstruction number of a graph $G, adern(G,$ is the minimum number $k$ such that every collection of $k$ da-ecards of $G$ uniquely determines $G.$ The maximal subgraph without end vertices of a graph $G$ which is not a tree is the pruned graph of $G.$ It is shown that $dern$ of complete multipartite graphs and some connected graphs with regular pruned graph is $1$ or $2.$ We also determine $dern$ and $adern$ of corona product of standard graphs.

The efficient synthesis of 2-arylpyrimidine acyclic nucleoside phosphonates using Liebeskind-Srogl cross-coupling reaction

Czech Academy of Sciences Publication Activity Database

Břehová, Petra; Česnek, Michal; Dračínský, Martin; Holý, Antonín; Janeba, Zlatko

2011-01-01

Roč. 67, č. 38 (2011), s. 7379-7385 ISSN 0040-4020 R&D Projects: GA MŠk 1M0508 Institutional research plan: CEZ:AV0Z40550506 Keywords : Liebeskind-Srogl cross - coupling * acyclic nucleoside phosphonates * pyrimidines * arylboronic acids * microwave Subject RIV: CC - Organic Chemistry Impact factor: 3.025, year: 2011

Synthesis of alpha-Branched Acyclic Nucleoside Phosphonates as Potential Inhibitors of Bacterial Adenylate Cyclases

Czech Academy of Sciences Publication Activity Database

Frydrych, Jan; Skácel, Jan; Šmídková, Markéta; Mertlíková-Kaiserová, Helena; Dračínský, Martin; Gnanasekaran, Ramachandran; Lepšík, Martin; Soto-Velasquez, M.; Watts, V. J.; Janeba, Zlatko

2018-01-01

Roč. 13, č. 2 (2018), s. 199-206 ISSN 1860-7179 R&D Projects: GA MV VG20102015046; GA ČR(CZ) GBP208/12/G016; GA MŠk LO1302 Institutional support: RVO:61388963 Keywords : acyclic nucleoside phosphonates * adenylate cyclase toxin * bisamidates * Bordetella pertussis * prodrugs Subject RIV: CC - Organic Chemistry OBOR OECD: Organic chemistry Impact factor: 3.225, year: 2016

Introduction to graph theory

CERN Document Server

Trudeau, Richard J

1994-01-01

Preface1. Pure Mathematics Introduction; Euclidean Geometry as Pure Mathematics; Games; Why Study Pure Mathematics?; What's Coming; Suggested Reading2. Graphs Introduction; Sets; Paradox; Graphs; Graph diagrams; Cautions; Common Graphs; Discovery; Complements and Subgraphs; Isomorphism; Recognizing Isomorphic Graphs; Semantics The Number of Graphs Having a Given nu; Exercises; Suggested Reading3. Planar Graphs Introduction; UG, K subscript 5, and the Jordan Curve Theorem; Are there More Nonplanar Graphs?; Expansions; Kuratowski's Theorem; Determining Whether a Graph is Planar or

Graph Theory. 2. Vertex Descriptors and Graph Coloring

Directory of Open Access Journals (Sweden)

Lorentz JÄNTSCHI

2002-12-01

Full Text Available This original work presents the construction of a set of ten sequence matrices and their applications for ordering vertices in graphs. For every sequence matrix three ordering criteria are applied: lexicographic ordering, based on strings of numbers, corresponding to every vertex, extracted as rows from sequence matrices; ordering by the sum of path lengths from a given vertex; and ordering by the sum of paths, starting from a given vertex. We also examine a graph that has different orderings for the above criteria. We then proceed to demonstrate that every criterion induced its own partition of graph vertex. We propose the following theoretical result: both LAVS and LVDS criteria generate identical partitioning of vertices in any graph. Finally, a coloring of graph vertices according to introduced ordering criteria was proposed.

On an edge partition and root graphs of some classes of line graphs

Directory of Open Access Journals (Sweden)

K Pravas

2017-04-01

Full Text Available The Gallai and the anti-Gallai graphs of a graph $G$ are complementary pairs of spanning subgraphs of the line graph of $G$. In this paper we find some structural relations between these graph classes by finding a partition of the edge set of the line graph of a graph $G$ into the edge sets of the Gallai and anti-Gallai graphs of $G$. Based on this, an optimal algorithm to find the root graph of a line graph is obtained. Moreover, root graphs of diameter-maximal, distance-hereditary, Ptolemaic and chordal graphs are also discussed.

Graphs and matrices

CERN Document Server

Bapat, Ravindra B

2014-01-01

This new edition illustrates the power of linear algebra in the study of graphs. The emphasis on matrix techniques is greater than in other texts on algebraic graph theory. Important matrices associated with graphs (for example, incidence, adjacency and Laplacian matrices) are treated in detail. Presenting a useful overview of selected topics in algebraic graph theory, early chapters of the text focus on regular graphs, algebraic connectivity, the distance matrix of a tree, and its generalized version for arbitrary graphs, known as the resistance matrix. Coverage of later topics include Laplacian eigenvalues of threshold graphs, the positive definite completion problem and matrix games based on a graph. Such an extensive coverage of the subject area provides a welcome prompt for further exploration. The inclusion of exercises enables practical learning throughout the book. In the new edition, a new chapter is added on the line graph of a tree, while some results in Chapter 6 on Perron-Frobenius theory are reo...

Graphs cospectral with a friendship graph or its complement

Directory of Open Access Journals (Sweden)

Alireza Abdollahi

2013-12-01

Full Text Available Let $n$ be any positive integer and let $F_n$ be the friendship (or Dutch windmill graph with $2n+1$ vertices and $3n$ edges. Here we study graphs with the same adjacency spectrum as the $F_n$. Two graphs are called cospectral if the eigenvalues multiset of their adjacency matrices are the same. Let $G$ be a graph cospectral with $F_n$. Here we prove that if $G$ has no cycle of length $4$ or $5$, then $Gcong F_n$. Moreover if $G$ is connected and planar then $Gcong F_n$.All but one of connected components of $G$ are isomorphic to $K_2$.The complement $overline{F_n}$ of the friendship graph is determined by its adjacency eigenvalues, that is, if $overline{F_n}$ is cospectral with a graph $H$, then $Hcong overline{F_n}$.

Graph embedding with rich information through heterogeneous graph

KAUST Repository

Sun, Guolei

2017-11-12

Graph embedding, aiming to learn low-dimensional representations for nodes in graphs, has attracted increasing attention due to its critical application including node classification, link prediction and clustering in social network analysis. Most existing algorithms for graph embedding only rely on the topology information and fail to use the copious information in nodes as well as edges. As a result, their performance for many tasks may not be satisfactory. In this thesis, we proposed a novel and general framework for graph embedding with rich text information (GERI) through constructing a heterogeneous network, in which we integrate node and edge content information with graph topology. Specially, we designed a novel biased random walk to explore the constructed heterogeneous network with the notion of flexible neighborhood. Our sampling strategy can compromise between BFS and DFS local search on heterogeneous graph. To further improve our algorithm, we proposed semi-supervised GERI (SGERI), which learns graph embedding in an discriminative manner through heterogeneous network with label information. The efficacy of our method is demonstrated by extensive comparison experiments with 9 baselines over multi-label and multi-class classification on various datasets including Citeseer, Cora, DBLP and Wiki. It shows that GERI improves the Micro-F1 and Macro-F1 of node classification up to 10%, and SGERI improves GERI by 5% in Wiki.

Topics in graph theory graphs and their Cartesian product

CERN Document Server

Imrich, Wilfried; Rall, Douglas F

2008-01-01

From specialists in the field, you will learn about interesting connections and recent developments in the field of graph theory by looking in particular at Cartesian products-arguably the most important of the four standard graph products. Many new results in this area appear for the first time in print in this book. Written in an accessible way, this book can be used for personal study in advanced applications of graph theory or for an advanced graph theory course.

Study of Chromatic parameters of Line, Total, Middle graphs and Graph operators of Bipartite graph

Science.gov (United States)

Nagarathinam, R.; Parvathi, N.

2018-04-01

Chromatic parameters have been explored on the basis of graph coloring process in which a couple of adjacent nodes receives different colors. But the Grundy and b-coloring executes maximum colors under certain restrictions. In this paper, Chromatic, b-chromatic and Grundy number of some graph operators of bipartite graph has been investigat

Handbook of graph grammars and computing by graph transformation

CERN Document Server

Engels, G; Kreowski, H J; Rozenberg, G

1999-01-01

Graph grammars originated in the late 60s, motivated by considerations about pattern recognition and compiler construction. Since then, the list of areas which have interacted with the development of graph grammars has grown quite impressively. Besides the aforementioned areas, it includes software specification and development, VLSI layout schemes, database design, modeling of concurrent systems, massively parallel computer architectures, logic programming, computer animation, developmental biology, music composition, visual languages, and many others.The area of graph grammars and graph tran

Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: A new class of antimalarial therapeutics

Czech Academy of Sciences Publication Activity Database

Keough, D. T.; Hocková, Dana; Holý, Antonín; Naesens, L.; Skinner-Adams, T. S.; de Jersey, J.; Guddat, L. W.

2009-01-01

Roč. 52, č. 14 (2009), s. 4391-4399 ISSN 0022-2623 R&D Projects: GA MŠk 1M0508; GA AV ČR 1QS400550501 Institutional research plan: CEZ:AV0Z40550506 Keywords : acyclic nucleoside phosphonates * phosphoribosyltransferase * enzyme inhibitors * Plasmodium falciparum Subject RIV: CC - Organic Chemistry Impact factor: 4.802, year: 2009

Centrosymmetric Graphs And A Lower Bound For Graph Energy Of Fullerenes

Directory of Open Access Journals (Sweden)

Katona Gyula Y.

2014-11-01

Full Text Available The energy of a molecular graph G is defined as the summation of the absolute values of the eigenvalues of adjacency matrix of a graph G. In this paper, an infinite class of fullerene graphs with 10n vertices, n ≥ 2, is considered. By proving centrosymmetricity of the adjacency matrix of these fullerene graphs, a lower bound for its energy is given. Our method is general and can be extended to other class of fullerene graphs.

Enhanced Topical and Transdermal Delivery of Antineoplastic and Antiviral Acyclic Nucleoside Phosphonate cPr-PMEDAP

Czech Academy of Sciences Publication Activity Database

Vávrová, K.; Kovaříková, P.; Školová, B.; Líbalová, M.; Roh, J.; Čáp, R.; Holý, Antonín; Hrabálek, A.

2011-01-01

Roč. 28, č. 12 (2011), s. 3105-3115 ISSN 0724-8741 R&D Projects: GA MŠk 1M0508 Grant - others:GA ČR(CZ) GAP207/11/0365 Institutional research plan: CEZ:AV0Z40550506 Keywords : acyclic nucleoside phosphonates * antivirals * antineoplastics * permeation enhancer * topical skin application * transdermal delivery Subject RIV: CC - Organic Chemistry Impact factor: 4.093, year: 2011

Graphs and Homomorphisms

CERN Document Server

Hell, Pavol

2004-01-01

This is a book about graph homomorphisms. Graph theory is now an established discipline but the study of graph homomorphisms has only recently begun to gain wide acceptance and interest. The subject gives a useful perspective in areas such as graph reconstruction, products, fractional and circular colourings, and has applications in complexity theory, artificial intelligence, telecommunication, and, most recently, statistical physics.Based on the authors' lecture notes for graduate courses, this book can be used as a textbook for a second course in graph theory at 4th year or master's level an

Structure-Activity Relationships of Acyclic Selenopurine Nucleosides as Antiviral Agents

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Pramod K. Sahu

2017-07-01

Full Text Available A series of acyclic selenopurine nucleosides 3a–f and 4a–g were synthesized based on the bioisosteric rationale between oxygen and selenium, and then evaluated for antiviral activity. Among the compounds tested, seleno-acyclovir (4a exhibited the most potent anti-herpes simplex virus (HSV-1 (EC50 = 1.47 µM and HSV-2 (EC50 = 6.34 µM activities without cytotoxicity up to 100 µM, while 2,6-diaminopurine derivatives 4e–g exhibited significant anti-human cytomegalovirus (HCMV activity, which is slightly more potent than the guanine derivative 4d, indicating that they might act as prodrugs of seleno-ganciclovir (4d.

Reaction of acyclic enaminones with methoxymethylene meldrum's acid: synthetic and structural implications

OpenAIRE

Cunha,Silvio; Silva,Viviane C. da; Napolitano,Hamilton B.; Lariucci,Carlito; Vencato,Ivo

2003-01-01

The reaction of acyclic enaminones with methoxymethylene Meldrum's acid afforded N-adduct and/or C-adduct of enaminones in moderate to good yields. The regiochemistry of this reaction depends on the N-amino substituent of the enaminone. The C-adduct is a precursor to 2-pyridones. X-ray analysis of two N-adducts were investigated and the Z-s-Z configuration assigned. A reação de enaminonas com o derivado metoximetilênico do ácido de Meldrum forneceu N-adutos e/ou C-adutos das enaminonas, em...

Interaction of phosphates of the acyclic nucleoside phosphonates with nucleoside diphosphate kinase from yeast and bovine liver

Czech Academy of Sciences Publication Activity Database

Horská, Květoslava; Votruba, Ivan; Holý, Antonín

2006-01-01

Roč. 71, č. 1 (2006), s. 35-43 ISSN 0010-0765 R&D Projects: GA AV ČR(CZ) IBS4055109 Institutional research plan: CEZ:AV0Z40550506 Keywords : enzymatic phosphorylation * acyclic nucleotide analogs * NTP analogues Subject RIV: CC - Organic Chemistry Impact factor: 0.881, year: 2006

Decomposing Oriented Graphs into Six Locally Irregular Oriented Graphs

DEFF Research Database (Denmark)

Bensmail, Julien; Renault, Gabriel

2016-01-01

An undirected graph G is locally irregular if every two of its adjacent vertices have distinct degrees. We say that G is decomposable into k locally irregular graphs if there exists a partition E1∪E2∪⋯∪Ek of the edge set E(G) such that each Ei induces a locally irregular graph. It was recently co...

Non-heuristic reduction of the graph in graph-cut optimization

International Nuclear Information System (INIS)

Malgouyres, François; Lermé, Nicolas

2012-01-01

During the last ten years, graph cuts had a growing impact in shape optimization. In particular, they are commonly used in applications of shape optimization such as image processing, computer vision and computer graphics. Their success is due to their ability to efficiently solve (apparently) difficult shape optimization problems which typically involve the perimeter of the shape. Nevertheless, solving problems with a large number of variables remains computationally expensive and requires a high memory usage since underlying graphs sometimes involve billion of nodes and even more edges. Several strategies have been proposed in the literature to improve graph-cuts in this regards. In this paper, we give a formal statement which expresses that a simple and local test performed on every node before its construction permits to avoid the construction of useless nodes for the graphs typically encountered in image processing and vision. A useless node is such that the value of the maximum flow in the graph does not change when removing the node from the graph. Such a test therefore permits to limit the construction of the graph to a band of useful nodes surrounding the final cut.

Graph embedding with rich information through heterogeneous graph

KAUST Repository

Sun, Guolei

2017-01-01

Graph embedding, aiming to learn low-dimensional representations for nodes in graphs, has attracted increasing attention due to its critical application including node classification, link prediction and clustering in social network analysis. Most

“Mai, inteso nominare”. La citazione in “Dio ne scampi dagli Orsenigo"

Directory of Open Access Journals (Sweden)

Sandra Carapezza

2015-06-01

Full Text Available In Dio ne scampi dagli Orsenigo Vittorio Imbriani grapples with the form of the novel. In a dialectical fashion, explicit quotations (frequently from French sources clarify his position towards generic paradigms. This article attempts to group these quotations on the basis of their literary genres in order to stress the complexities of an inclusive and versatile text. The intertextual network, ranging from feuilleton literature to academic preciosity, in the last instance reveals itself as an ironic antidote to Romantic identification. This trend is confirmed by the remarkable increase in the number of quotations from the first edition (1876 to the second publication in volume form in 1883.

Graphing trillions of triangles.

Science.gov (United States)

Burkhardt, Paul

2017-07-01

The increasing size of Big Data is often heralded but how data are transformed and represented is also profoundly important to knowledge discovery, and this is exemplified in Big Graph analytics. Much attention has been placed on the scale of the input graph but the product of a graph algorithm can be many times larger than the input. This is true for many graph problems, such as listing all triangles in a graph. Enabling scalable graph exploration for Big Graphs requires new approaches to algorithms, architectures, and visual analytics. A brief tutorial is given to aid the argument for thoughtful representation of data in the context of graph analysis. Then a new algebraic method to reduce the arithmetic operations in counting and listing triangles in graphs is introduced. Additionally, a scalable triangle listing algorithm in the MapReduce model will be presented followed by a description of the experiments with that algorithm that led to the current largest and fastest triangle listing benchmarks to date. Finally, a method for identifying triangles in new visual graph exploration technologies is proposed.

Acyclic nucleoside bisphosphonates: Synthesis and properties of chiral 2-amino-4,6-bis[(phosphonomethoxy)alkoxy]pyrimidines

Czech Academy of Sciences Publication Activity Database

Doláková, Petra; Dračínský, Martin; Masojídková, Milena; Šolínová, Veronika; Kašička, Václav; Holý, Antonín

2009-01-01

Roč. 44, č. 6 (2009), s. 2408-2424 ISSN 0223-5234 R&D Projects: GA MŠk 1M0508 Grant - others:NIH(US) 1UC1AIO62540-01 Institutional research plan: CEZ:AV0Z40550506 Keywords : acyclic nucleoside phosphonates * pyrimidine * bisphosphonates Subject RIV: CC - Organic Chemistry Impact factor: 3.269, year: 2009

Adaptive Graph Convolutional Neural Networks

OpenAIRE

Li, Ruoyu; Wang, Sheng; Zhu, Feiyun; Huang, Junzhou

2018-01-01

Graph Convolutional Neural Networks (Graph CNNs) are generalizations of classical CNNs to handle graph data such as molecular data, point could and social networks. Current filters in graph CNNs are built for fixed and shared graph structure. However, for most real data, the graph structures varies in both size and connectivity. The paper proposes a generalized and flexible graph CNN taking data of arbitrary graph structure as input. In that way a task-driven adaptive graph is learned for eac...

Asymptote Misconception on Graphing Functions: Does Graphing Software Resolve It?

Directory of Open Access Journals (Sweden)

Mehmet Fatih Öçal

2017-01-01

Full Text Available Graphing function is an important issue in mathematics education due to its use in various areas of mathematics and its potential roles for students to enhance learning mathematics. The use of some graphing software assists students’ learning during graphing functions. However, the display of graphs of functions that students sketched by hand may be relatively different when compared to the correct forms sketched using graphing software. The possible misleading effects of this situation brought a discussion of a misconception (asymptote misconception on graphing functions. The purpose of this study is two- fold. First of all, this study investigated whether using graphing software (GeoGebra in this case helps students to determine and resolve this misconception in calculus classrooms. Second, the reasons for this misconception are sought. The multiple case study was utilized in this study. University students in two calculus classrooms who received instructions with (35 students or without GeoGebra assisted instructions (32 students were compared according to whether they fell into this misconception on graphing basic functions (1/x, lnx, ex. In addition, students were interviewed to reveal the reasons behind this misconception. Data were analyzed by means of descriptive and content analysis methods. The findings indicated that those who received GeoGebra assisted instruction were better in resolving it. In addition, the reasons behind this misconception were found to be teacher-based, exam-based and some other factors.

Acid-Labile Acyclic Cucurbit[n]uril Molecular Containers for Controlled Release.

Science.gov (United States)

Mao, Dake; Liang, Yajun; Liu, Yamin; Zhou, Xianhao; Ma, Jiaqi; Jiang, Biao; Liu, Jia; Ma, Da

2017-10-02

Stimuli-responsive molecular containers are of great importance for controlled drug delivery and other biomedical applications. A new type of acid labile acyclic cucurbit[n]uril (CB[n]) molecular containers is presented that can degrade and release the encapsulated cargo at accelerated rates under mildly acidic conditions (pH 5.5-6.5). These containers retain the excellent recognition properties of CB[n]-type hosts. A cell culture study demonstrated that the cellular uptake of cargos could be fine-tuned by complexation with different containers. The release and cell uptake of cargo dye was promoted by acidic pH. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

On the structure of Bayesian network for Indonesian text document paraphrase identification

Science.gov (United States)

Prayogo, Ario Harry; Syahrul Mubarok, Mohamad; Adiwijaya

2018-03-01

Paraphrase identification is an important process within natural language processing. The idea is to automatically recognize phrases that have different forms but contain same meanings. For examples if we input query “causing fire hazard”, then the computer has to recognize this query that this query has same meaning as “the cause of fire hazard. Paraphrasing is an activity that reveals the meaning of an expression, writing, or speech using different words or forms, especially to achieve greater clarity. In this research we will focus on classifying two Indonesian sentences whether it is a paraphrase to each other or not. There are four steps in this research, first is preprocessing, second is feature extraction, third is classifier building, and the last is performance evaluation. Preprocessing consists of tokenization, non-alphanumerical removal, and stemming. After preprocessing we will conduct feature extraction in order to build new features from given dataset. There are two kinds of features in the research, syntactic features and semantic features. Syntactic features consist of normalized levenshtein distance feature, term-frequency based cosine similarity feature, and LCS (Longest Common Subsequence) feature. Semantic features consist of Wu and Palmer feature and Shortest Path Feature. We use Bayesian Networks as the method of training the classifier. Parameter estimation that we use is called MAP (Maximum A Posteriori). For structure learning of Bayesian Networks DAG (Directed Acyclic Graph), we use BDeu (Bayesian Dirichlet equivalent uniform) scoring function and for finding DAG with the best BDeu score, we use K2 algorithm. In evaluation step we perform cross-validation. The average result that we get from testing the classifier as follows: Precision 75.2%, Recall 76.5%, F1-Measure 75.8% and Accuracy 75.6%.

High Dimensional Spectral Graph Theory and Non-backtracking Random Walks on Graphs

Science.gov (United States)

Kempton, Mark

This thesis has two primary areas of focus. First we study connection graphs, which are weighted graphs in which each edge is associated with a d-dimensional rotation matrix for some fixed dimension d, in addition to a scalar weight. Second, we study non-backtracking random walks on graphs, which are random walks with the additional constraint that they cannot return to the immediately previous state at any given step. Our work in connection graphs is centered on the notion of consistency, that is, the product of rotations moving from one vertex to another is independent of the path taken, and a generalization called epsilon-consistency. We present higher dimensional versions of the combinatorial Laplacian matrix and normalized Laplacian matrix from spectral graph theory, and give results characterizing the consistency of a connection graph in terms of the spectra of these matrices. We generalize several tools from classical spectral graph theory, such as PageRank and effective resistance, to apply to connection graphs. We use these tools to give algorithms for sparsification, clustering, and noise reduction on connection graphs. In non-backtracking random walks, we address the question raised by Alon et. al. concerning how the mixing rate of a non-backtracking random walk to its stationary distribution compares to the mixing rate for an ordinary random walk. Alon et. al. address this question for regular graphs. We take a different approach, and use a generalization of Ihara's Theorem to give a new proof of Alon's result for regular graphs, and to extend the result to biregular graphs. Finally, we give a non-backtracking version of Polya's Random Walk Theorem for 2-dimensional grids.

X-Graphs: Language and Algorithms for Heterogeneous Graph Streams

Science.gov (United States)

2017-09-01

are widely used by academia and industry. 15. SUBJECT TERMS Data Analytics, Graph Analytics, High-Performance Computing 16. SECURITY CLASSIFICATION...form the core of the DeepDive Knowledge Construction System. 2 INTRODUCTION The goal of the X-Graphs project was to develop computational techniques...memory multicore machine. Ringo is based on Snap.py and SNAP, and uses Python . Ringo now allows the integration of Delite DSL Framework Graph

On the sizes of expander graphs and minimum distances of graph codes

DEFF Research Database (Denmark)

Høholdt, Tom; Justesen, Jørn

2014-01-01

We give lower bounds for the minimum distances of graph codes based on expander graphs. The bounds depend only on the second eigenvalue of the graph and the parameters of the component codes. We also give an upper bound on the size of a degree regular graph with given second eigenvalue....

Similarity Measure of Graphs

Directory of Open Access Journals (Sweden)

Amine Labriji

2017-07-01

Full Text Available The topic of identifying the similarity of graphs was considered as highly recommended research field in the Web semantic, artificial intelligence, the shape recognition and information research. One of the fundamental problems of graph databases is finding similar graphs to a graph query. Existing approaches dealing with this problem are usually based on the nodes and arcs of the two graphs, regardless of parental semantic links. For instance, a common connection is not identified as being part of the similarity of two graphs in cases like two graphs without common concepts, the measure of similarity based on the union of two graphs, or the one based on the notion of maximum common sub-graph (SCM, or the distance of edition of graphs. This leads to an inadequate situation in the context of information research. To overcome this problem, we suggest a new measure of similarity between graphs, based on the similarity measure of Wu and Palmer. We have shown that this new measure satisfies the properties of a measure of similarities and we applied this new measure on examples. The results show that our measure provides a run time with a gain of time compared to existing approaches. In addition, we compared the relevance of the similarity values obtained, it appears that this new graphs measure is advantageous and  offers a contribution to solving the problem mentioned above.

Spectra of Graphs

NARCIS (Netherlands)

Brouwer, A.E.; Haemers, W.H.

2012-01-01

This book gives an elementary treatment of the basic material about graph spectra, both for ordinary, and Laplace and Seidel spectra. The text progresses systematically, by covering standard topics before presenting some new material on trees, strongly regular graphs, two-graphs, association

Pattern graph rewrite systems

Directory of Open Access Journals (Sweden)

Aleks Kissinger

2014-03-01

Full Text Available String diagrams are a powerful tool for reasoning about physical processes, logic circuits, tensor networks, and many other compositional structures. Dixon, Duncan and Kissinger introduced string graphs, which are a combinatoric representations of string diagrams, amenable to automated reasoning about diagrammatic theories via graph rewrite systems. In this extended abstract, we show how the power of such rewrite systems can be greatly extended by introducing pattern graphs, which provide a means of expressing infinite families of rewrite rules where certain marked subgraphs, called !-boxes ("bang boxes", on both sides of a rule can be copied any number of times or removed. After reviewing the string graph formalism, we show how string graphs can be extended to pattern graphs and how pattern graphs and pattern rewrite rules can be instantiated to concrete string graphs and rewrite rules. We then provide examples demonstrating the expressive power of pattern graphs and how they can be applied to study interacting algebraic structures that are central to categorical quantum mechanics.

Comparative reactivity of different types of stable cyclic and acyclic mono- and diamino carbenes with simple organic substrates.

Science.gov (United States)

Martin, David; Canac, Yves; Lavallo, Vincent; Bertrand, Guy

2014-04-02

A series of stable carbenes, featuring a broad range of electronic properties, were reacted with simple organic substrates. The N,N-dimesityl imidazolylidene (NHC) does not react with isocyanides, whereas anti-Bredt di(amino)carbene (pyr-NHC), cyclic (alkyl)(amino)carbene (CAAC), acyclic di(amino)carbene (ADAC), and acyclic (alkyl)(amino)carbene (AAAC) give rise to the corresponding ketenimines. NHCs are known to promote the benzoin condensation, and we found that the CAAC, pyr-NHC, and ADAC react with benzaldehyde to give the ketone tautomer of the Breslow intermediate, whereas the AAAC first gives the corresponding epoxide and ultimately the Breslow intermediate, which can be isolated. Addition of excess benzaldehyde to the latter does not lead to benzoin but to a stable 1,3-dioxolane. Depending on the electronic properties of carbenes, different products are also obtained with methyl acrylate as a substrate. The critical role of the carbene electrophilicity on the outcome of reactions is discussed.

On middle cube graphs

Directory of Open Access Journals (Sweden)

C. Dalfo

2015-10-01

Full Text Available We study a family of graphs related to the $n$-cube. The middle cube graph of parameter k is the subgraph of $Q_{2k-1}$ induced by the set of vertices whose binary representation has either $k-1$ or $k$ number of ones. The middle cube graphs can be obtained from the well-known odd graphs by doubling their vertex set. Here we study some of the properties of the middle cube graphs in the light of the theory of distance-regular graphs. In particular, we completely determine their spectra (eigenvalues and their multiplicities, and associated eigenvectors.

Characterization of E and Z isomers in macrocyclic lactones and acyclic pheromones by NMR spectra

International Nuclear Information System (INIS)

Mahajan, J.R.; Resck, I.S.; Braz Filho, R.; Carvalho, M.G. de

1995-01-01

A large proportion of pheromones, isolated from a variety of insects, constitutes a big list of diversely functionalized acyclic compounds, which have been synthesized by several routes. Catalytic or chemical methods were examined for the Z to E isomerization and their efficiency checked by 1 H and 13 C NMR spectra. Nuclear magnetic resonance has been used to identify and characterize molecular structure of the compounds, besides chemical shifts was analysed

Graph visualization (Invited talk)

NARCIS (Netherlands)

Wijk, van J.J.; Kreveld, van M.J.; Speckmann, B.

2012-01-01

Black and white node link diagrams are the classic method to depict graphs, but these often fall short to give insight in large graphs or when attributes of nodes and edges play an important role. Graph visualization aims obtaining insight in such graphs using interactive graphical representations.

Adventures in graph theory

CERN Document Server

Joyner, W David

2017-01-01

This textbook acts as a pathway to higher mathematics by seeking and illuminating the connections between graph theory and diverse fields of mathematics, such as calculus on manifolds, group theory, algebraic curves, Fourier analysis, cryptography and other areas of combinatorics. An overview of graph theory definitions and polynomial invariants for graphs prepares the reader for the subsequent dive into the applications of graph theory. To pique the reader’s interest in areas of possible exploration, recent results in mathematics appear throughout the book, accompanied with examples of related graphs, how they arise, and what their valuable uses are. The consequences of graph theory covered by the authors are complicated and far-reaching, so topics are always exhibited in a user-friendly manner with copious graphs, exercises, and Sage code for the computation of equations. Samples of the book’s source code can be found at github.com/springer-math/adventures-in-graph-theory. The text is geared towards ad...

Distance-regular graphs

NARCIS (Netherlands)

van Dam, Edwin R.; Koolen, Jack H.; Tanaka, Hajime

2016-01-01

This is a survey of distance-regular graphs. We present an introduction to distance-regular graphs for the reader who is unfamiliar with the subject, and then give an overview of some developments in the area of distance-regular graphs since the monograph 'BCN'[Brouwer, A.E., Cohen, A.M., Neumaier,

On the strong metric dimension of generalized butterfly graph, starbarbell graph, and {C}_{m}\\odot {P}_{n} graph

Science.gov (United States)

Yunia Mayasari, Ratih; Atmojo Kusmayadi, Tri

2018-04-01

Let G be a connected graph with vertex set V(G) and edge set E(G). For every pair of vertices u,v\\in V(G), the interval I[u, v] between u and v to be the collection of all vertices that belong to some shortest u ‑ v path. A vertex s\\in V(G) strongly resolves two vertices u and v if u belongs to a shortest v ‑ s path or v belongs to a shortest u ‑ s path. A vertex set S of G is a strong resolving set of G if every two distinct vertices of G are strongly resolved by some vertex of S. The strong metric basis of G is a strong resolving set with minimal cardinality. The strong metric dimension sdim(G) of a graph G is defined as the cardinality of strong metric basis. In this paper we determine the strong metric dimension of a generalized butterfly graph, starbarbell graph, and {C}mȯ {P}n graph. We obtain the strong metric dimension of generalized butterfly graph is sdim(BFn ) = 2n ‑ 2. The strong metric dimension of starbarbell graph is sdim(S{B}{m1,{m}2,\\ldots,{m}n})={\\sum }i=1n({m}i-1)-1. The strong metric dimension of {C}mȯ {P}n graph are sdim({C}mȯ {P}n)=2m-1 for m > 3 and n = 2, and sdim({C}mȯ {P}n)=2m-2 for m > 3 and n > 2.

Subgraph detection using graph signals

KAUST Repository

Chepuri, Sundeep Prabhakar

2017-03-06

In this paper we develop statistical detection theory for graph signals. In particular, given two graphs, namely, a background graph that represents an usual activity and an alternative graph that represents some unusual activity, we are interested in answering the following question: To which of the two graphs does the observed graph signal fit the best? To begin with, we assume both the graphs are known, and derive an optimal Neyman-Pearson detector. Next, we derive a suboptimal detector for the case when the alternative graph is not known. The developed theory is illustrated with numerical experiments.

Subgraph detection using graph signals

KAUST Repository

Chepuri, Sundeep Prabhakar; Leus, Geert

2017-01-01

In this paper we develop statistical detection theory for graph signals. In particular, given two graphs, namely, a background graph that represents an usual activity and an alternative graph that represents some unusual activity, we are interested in answering the following question: To which of the two graphs does the observed graph signal fit the best? To begin with, we assume both the graphs are known, and derive an optimal Neyman-Pearson detector. Next, we derive a suboptimal detector for the case when the alternative graph is not known. The developed theory is illustrated with numerical experiments.

Graph spectrum

NARCIS (Netherlands)

Brouwer, A.E.; Haemers, W.H.; Brouwer, A.E.; Haemers, W.H.

2012-01-01

This chapter presents some simple results on graph spectra.We assume the reader is familiar with elementary linear algebra and graph theory. Throughout, J will denote the all-1 matrix, and 1 is the all-1 vector.

The DAG1 transcription factor negatively regulates the seed-to-seedling transition in Arabidopsis acting on ABA and GA levels

Czech Academy of Sciences Publication Activity Database

Boccaccini, A.; Lorrai, R.; Ruta, V.; Frey, A.; Mercey-Boutet, S.; Marion-Poll, F.; Tarkowská, Danuše; Strnad, Miroslav; Costantino, P.; Vittorioso, P.

2016-01-01

Roč. 16, SEP 9 (2016), s. 198 ISSN 1471-2229 R&D Projects: GA MŠk LK21306; GA MŠk(CZ) LO1204; GA ČR GA14-34792S Institutional support: RVO:61389030 Keywords : DAG1 * Seed development * Chromatin remodelling Subject RIV: EF - Botanics Impact factor: 3.964, year: 2016

Pragmatic Graph Rewriting Modifications

OpenAIRE

Rodgers, Peter; Vidal, Natalia

1999-01-01

We present new pragmatic constructs for easing programming in visual graph rewriting programming languages. The first is a modification to the rewriting process for nodes the host graph, where nodes specified as 'Once Only' in the LHS of a rewrite match at most once with a corresponding node in the host graph. This reduces the previously common use of tags to indicate the progress of matching in the graph. The second modification controls the application of LHS graphs, where those specified a...

Simplicial complexes of graphs

CERN Document Server

Jonsson, Jakob

2008-01-01

A graph complex is a finite family of graphs closed under deletion of edges. Graph complexes show up naturally in many different areas of mathematics, including commutative algebra, geometry, and knot theory. Identifying each graph with its edge set, one may view a graph complex as a simplicial complex and hence interpret it as a geometric object. This volume examines topological properties of graph complexes, focusing on homotopy type and homology. Many of the proofs are based on Robin Forman's discrete version of Morse theory. As a byproduct, this volume also provides a loosely defined toolbox for attacking problems in topological combinatorics via discrete Morse theory. In terms of simplicity and power, arguably the most efficient tool is Forman's divide and conquer approach via decision trees; it is successfully applied to a large number of graph and digraph complexes.

The STAPL Parallel Graph Library

KAUST Repository

Harshvardhan,

2013-01-01

This paper describes the stapl Parallel Graph Library, a high-level framework that abstracts the user from data-distribution and parallelism details and allows them to concentrate on parallel graph algorithm development. It includes a customizable distributed graph container and a collection of commonly used parallel graph algorithms. The library introduces pGraph pViews that separate algorithm design from the container implementation. It supports three graph processing algorithmic paradigms, level-synchronous, asynchronous and coarse-grained, and provides common graph algorithms based on them. Experimental results demonstrate improved scalability in performance and data size over existing graph libraries on more than 16,000 cores and on internet-scale graphs containing over 16 billion vertices and 250 billion edges. © Springer-Verlag Berlin Heidelberg 2013.

Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases

Czech Academy of Sciences Publication Activity Database

Kaiser, Martin Maxmilian; Hocková, Dana; Wang, T. H.; Dračínský, Martin; Poštová Slavětínská, Lenka; Procházková, Eliška; Edstein, M. D.; Chavchich, M.; Keough, D. T.; Guddat, L. W.; Janeba, Zlatko

2015-01-01

Roč. 10, č. 10 (2015), s. 1707-1723 ISSN 1860-7179 R&D Projects: GA MV VG20102015046; GA ČR GAP207/11/0108 Institutional support: RVO:61388963 Keywords : 6-oxopurine * acyclic nucleoside phosphonates * phosphoribosyltransferases * malaria * phosphoramidates Subject RIV: CC - Organic Chemistry Impact factor: 2.980, year: 2015

Topic Model for Graph Mining.

Science.gov (United States)

Xuan, Junyu; Lu, Jie; Zhang, Guangquan; Luo, Xiangfeng

2015-12-01

Graph mining has been a popular research area because of its numerous application scenarios. Many unstructured and structured data can be represented as graphs, such as, documents, chemical molecular structures, and images. However, an issue in relation to current research on graphs is that they cannot adequately discover the topics hidden in graph-structured data which can be beneficial for both the unsupervised learning and supervised learning of the graphs. Although topic models have proved to be very successful in discovering latent topics, the standard topic models cannot be directly applied to graph-structured data due to the "bag-of-word" assumption. In this paper, an innovative graph topic model (GTM) is proposed to address this issue, which uses Bernoulli distributions to model the edges between nodes in a graph. It can, therefore, make the edges in a graph contribute to latent topic discovery and further improve the accuracy of the supervised and unsupervised learning of graphs. The experimental results on two different types of graph datasets show that the proposed GTM outperforms the latent Dirichlet allocation on classification by using the unveiled topics of these two models to represent graphs.

Modern graph theory

CERN Document Server

Bollobás, Béla

1998-01-01

The time has now come when graph theory should be part of the education of every serious student of mathematics and computer science, both for its own sake and to enhance the appreciation of mathematics as a whole. This book is an in-depth account of graph theory, written with such a student in mind; it reflects the current state of the subject and emphasizes connections with other branches of pure mathematics. The volume grew out of the author's earlier book, Graph Theory -- An Introductory Course, but its length is well over twice that of its predecessor, allowing it to reveal many exciting new developments in the subject. Recognizing that graph theory is one of several courses competing for the attention of a student, the book contains extensive descriptive passages designed to convey the flavor of the subject and to arouse interest. In addition to a modern treatment of the classical areas of graph theory such as coloring, matching, extremal theory, and algebraic graph theory, the book presents a detailed ...

A graph edit dictionary for correcting errors in roof topology graphs reconstructed from point clouds

Science.gov (United States)

Xiong, B.; Oude Elberink, S.; Vosselman, G.

2014-07-01

In the task of 3D building model reconstruction from point clouds we face the problem of recovering a roof topology graph in the presence of noise, small roof faces and low point densities. Errors in roof topology graphs will seriously affect the final modelling results. The aim of this research is to automatically correct these errors. We define the graph correction as a graph-to-graph problem, similar to the spelling correction problem (also called the string-to-string problem). The graph correction is more complex than string correction, as the graphs are 2D while strings are only 1D. We design a strategy based on a dictionary of graph edit operations to automatically identify and correct the errors in the input graph. For each type of error the graph edit dictionary stores a representative erroneous subgraph as well as the corrected version. As an erroneous roof topology graph may contain several errors, a heuristic search is applied to find the optimum sequence of graph edits to correct the errors one by one. The graph edit dictionary can be expanded to include entries needed to cope with errors that were previously not encountered. Experiments show that the dictionary with only fifteen entries already properly corrects one quarter of erroneous graphs in about 4500 buildings, and even half of the erroneous graphs in one test area, achieving as high as a 95% acceptance rate of the reconstructed models.

Introduction to quantum graphs

CERN Document Server

Berkolaiko, Gregory

2012-01-01

A "quantum graph" is a graph considered as a one-dimensional complex and equipped with a differential operator ("Hamiltonian"). Quantum graphs arise naturally as simplified models in mathematics, physics, chemistry, and engineering when one considers propagation of waves of various nature through a quasi-one-dimensional (e.g., "meso-" or "nano-scale") system that looks like a thin neighborhood of a graph. Works that currently would be classified as discussing quantum graphs have been appearing since at least the 1930s, and since then, quantum graphs techniques have been applied successfully in various areas of mathematical physics, mathematics in general and its applications. One can mention, for instance, dynamical systems theory, control theory, quantum chaos, Anderson localization, microelectronics, photonic crystals, physical chemistry, nano-sciences, superconductivity theory, etc. Quantum graphs present many non-trivial mathematical challenges, which makes them dear to a mathematician's heart. Work on qu...

NMR studies of abasic sites in DNA duplexes: Deoxyadenosine stacks into the helix opposite acyclic lesions

International Nuclear Information System (INIS)

Kalnik, M.W.; Chang, Chienneng; Johnson, F.; Grollman, A.P.; Patel, D.J.

1989-01-01

Proton and phosphorus NMR studies are reported for two complementary nonanucleotide duplexes containing acyclic abasic sites. The first duplex, d(C-A-T-G-A-G-T-A-C)·d(G-T-A-C-P-C-A-T-G), contains an acyclic propanyl moiety, P, located opposite a deoxyadenosine at the center of the helix (designated AP P 9-mer duplex). The second duplex, d(C-A-T-G-A-G-T-A-C-)·d(G-T-A-C-E-C-A-T-G), contains a similarly located acyclic ethanyl moiety, E (designated AP E 9-mer duplex). The ethanyl moiety is one carbon shorter than the natural carbon-phosphodiester backbone of a single nucleotide unit of DNA. The majority of the exchangeable and nonexchangeable base and sugar protons in both the AP P 9-mer and AP E 9-mer duplexes, including those at the abasic site, have been assigned by recording and analyzing two-dimensional phase-sensitive NOESY data sets in H 2 O and D 2 O solution between -5 and 5 degree C. These spectroscopic observations establish that A5 inserts into the helix opposite the abasic site (P14 and El14) and stacks between the flanking G4·C15 and G6·C13 Watson-Crick base pairs in both the AP P 9-mer and AP E 9-mer duplexes. Proton NMR parameters for the Ap P 9-mer and AP E 9-mer duplexes are similar to those reported previously. These proton NMR experiments demonstrate that the structures at abasic sites are very similar whether the five-membered ring is open or closed or whether the phosphodiester backbone is shortened by one carbon atom. Phosphorus spectra of the AP P 9-mer and AP E 9-mer duplexes (5 degree C) indicate that the backbone conformation is similarly perturbed at three phosphodiester backbone torsion angles

Graph Generator Survey

Energy Technology Data Exchange (ETDEWEB)

Lothian, Joshua [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Powers, Sarah S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Sullivan, Blair D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Baker, Matthew B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Schrock, Jonathan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Poole, Stephen W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2013-10-01

The benchmarking effort within the Extreme Scale Systems Center at Oak Ridge National Laboratory seeks to provide High Performance Computing benchmarks and test suites of interest to the DoD sponsor. The work described in this report is a part of the effort focusing on graph generation. A previously developed benchmark, SystemBurn, allowed the emulation of different application behavior profiles within a single framework. To complement this effort, similar capabilities are desired for graph-centric problems. This report examines existing synthetic graph generator implementations in preparation for further study on the properties of their generated synthetic graphs.

Functions and graphs

CERN Document Server

Gelfand, I M; Shnol, E E

1969-01-01

The second in a series of systematic studies by a celebrated mathematician I. M. Gelfand and colleagues, this volume presents students with a well-illustrated sequence of problems and exercises designed to illuminate the properties of functions and graphs. Since readers do not have the benefit of a blackboard on which a teacher constructs a graph, the authors abandoned the customary use of diagrams in which only the final form of the graph appears; instead, the book's margins feature step-by-step diagrams for the complete construction of each graph. The first part of the book employs simple fu

Loose Graph Simulations

DEFF Research Database (Denmark)

Mansutti, Alessio; Miculan, Marino; Peressotti, Marco

2017-01-01

We introduce loose graph simulations (LGS), a new notion about labelled graphs which subsumes in an intuitive and natural way subgraph isomorphism (SGI), regular language pattern matching (RLPM) and graph simulation (GS). Being a unification of all these notions, LGS allows us to express directly...... also problems which are “mixed” instances of previous ones, and hence which would not fit easily in any of them. After the definition and some examples, we show that the problem of finding loose graph simulations is NP-complete, we provide formal translation of SGI, RLPM, and GS into LGSs, and we give...

Autoregressive Moving Average Graph Filtering

OpenAIRE

Isufi, Elvin; Loukas, Andreas; Simonetto, Andrea; Leus, Geert

2016-01-01

One of the cornerstones of the field of signal processing on graphs are graph filters, direct analogues of classical filters, but intended for signals defined on graphs. This work brings forth new insights on the distributed graph filtering problem. We design a family of autoregressive moving average (ARMA) recursions, which (i) are able to approximate any desired graph frequency response, and (ii) give exact solutions for tasks such as graph signal denoising and interpolation. The design phi...

On cyclic orthogonal double covers of circulant graphs by special infinite graphs

Directory of Open Access Journals (Sweden)

R. El-Shanawany

2017-12-01

Full Text Available In this article, a technique to construct cyclic orthogonal double covers (CODCs of regular circulant graphs by certain infinite graph classes such as complete bipartite and tripartite graphs and disjoint union of butterfly and K1,2n−10 is introduced.

Enantiopurity analysis of new types of acyclic nucleoside phosphonates by capillary electrophoresis with cyclodextrins as chiral selectors

Czech Academy of Sciences Publication Activity Database

Šolínová, Veronika; Kaiser, Martin Maxmilian; Lukáč, Miloš; Janeba, Zlatko; Kašička, Václav

2014-01-01

Roč. 37, č. 3 (2014), s. 295-303 ISSN 1615-9306 R&D Projects: GA ČR(CZ) GAP206/12/0453; GA ČR(CZ) GA13-17224S; GA MV VG20102015046 Institutional support: RVO:61388963 Keywords : acyclic nucleoside phosphonates * CE * chiral analysis * cyclodextrins * nucleotide analogs Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.737, year: 2014

Influence of Acyclic Nucleoside Phosphonate Antivirals on Gene Expression of Chemokine Receptors CCR5 and CXCR4

Czech Academy of Sciences Publication Activity Database

Potměšil, P.; Holý, Antonín; Zídek, Zdeněk

2015-01-01

Roč. 61, č. 1 (2015), s. 1-7 ISSN 0015-5500 R&D Projects: GA ČR GA305/03/1470; GA MŠk 1M0508 Institutional support: RVO:61388963 ; RVO:68378041 Keywords : acyclic nucleoside phosphonate * HIV * CCR5 * CXCR4 * cytokine * RT-PCR Subject RIV: CC - Organic Chemistry; FR - Pharmacology ; Medidal Chemistry (UEM-P) Impact factor: 0.833, year: 2015

Quantum walks on quotient graphs

International Nuclear Information System (INIS)

Krovi, Hari; Brun, Todd A.

2007-01-01

A discrete-time quantum walk on a graph Γ is the repeated application of a unitary evolution operator to a Hilbert space corresponding to the graph. If this unitary evolution operator has an associated group of symmetries, then for certain initial states the walk will be confined to a subspace of the original Hilbert space. Symmetries of the original graph, given by its automorphism group, can be inherited by the evolution operator. We show that a quantum walk confined to the subspace corresponding to this symmetry group can be seen as a different quantum walk on a smaller quotient graph. We give an explicit construction of the quotient graph for any subgroup H of the automorphism group and illustrate it with examples. The automorphisms of the quotient graph which are inherited from the original graph are the original automorphism group modulo the subgroup H used to construct it. The quotient graph is constructed by removing the symmetries of the subgroup H from the original graph. We then analyze the behavior of hitting times on quotient graphs. Hitting time is the average time it takes a walk to reach a given final vertex from a given initial vertex. It has been shown in earlier work [Phys. Rev. A 74, 042334 (2006)] that the hitting time for certain initial states of a quantum walks can be infinite, in contrast to classical random walks. We give a condition which determines whether the quotient graph has infinite hitting times given that they exist in the original graph. We apply this condition for the examples discussed and determine which quotient graphs have infinite hitting times. All known examples of quantum walks with hitting times which are short compared to classical random walks correspond to systems with quotient graphs much smaller than the original graph; we conjecture that the existence of a small quotient graph with finite hitting times is necessary for a walk to exhibit a quantum speedup

Fundamentals of algebraic graph transformation

CERN Document Server

Ehrig, Hartmut; Prange, Ulrike; Taentzer, Gabriele

2006-01-01

Graphs are widely used to represent structural information in the form of objects and connections between them. Graph transformation is the rule-based manipulation of graphs, an increasingly important concept in computer science and related fields. This is the first textbook treatment of the algebraic approach to graph transformation, based on algebraic structures and category theory. Part I is an introduction to the classical case of graph and typed graph transformation. In Part II basic and advanced results are first shown for an abstract form of replacement systems, so-called adhesive high-level replacement systems based on category theory, and are then instantiated to several forms of graph and Petri net transformation systems. Part III develops typed attributed graph transformation, a technique of key relevance in the modeling of visual languages and in model transformation. Part IV contains a practical case study on model transformation and a presentation of the AGG (attributed graph grammar) tool envir...

Graph-based modelling in engineering

CERN Document Server

Rysiński, Jacek

2017-01-01

This book presents versatile, modern and creative applications of graph theory in mechanical engineering, robotics and computer networks. Topics related to mechanical engineering include e.g. machine and mechanism science, mechatronics, robotics, gearing and transmissions, design theory and production processes. The graphs treated are simple graphs, weighted and mixed graphs, bond graphs, Petri nets, logical trees etc. The authors represent several countries in Europe and America, and their contributions show how different, elegant, useful and fruitful the utilization of graphs in modelling of engineering systems can be. .

BootGraph: probabilistic fiber tractography using bootstrap algorithms and graph theory.

Science.gov (United States)

Vorburger, Robert S; Reischauer, Carolin; Boesiger, Peter

2013-02-01

Bootstrap methods have recently been introduced to diffusion-weighted magnetic resonance imaging to estimate the measurement uncertainty of ensuing diffusion parameters directly from the acquired data without the necessity to assume a noise model. These methods have been previously combined with deterministic streamline tractography algorithms to allow for the assessment of connection probabilities in the human brain. Thereby, the local noise induced disturbance in the diffusion data is accumulated additively due to the incremental progression of streamline tractography algorithms. Graph based approaches have been proposed to overcome this drawback of streamline techniques. For this reason, the bootstrap method is in the present work incorporated into a graph setup to derive a new probabilistic fiber tractography method, called BootGraph. The acquired data set is thereby converted into a weighted, undirected graph by defining a vertex in each voxel and edges between adjacent vertices. By means of the cone of uncertainty, which is derived using the wild bootstrap, a weight is thereafter assigned to each edge. Two path finding algorithms are subsequently applied to derive connection probabilities. While the first algorithm is based on the shortest path approach, the second algorithm takes all existing paths between two vertices into consideration. Tracking results are compared to an established algorithm based on the bootstrap method in combination with streamline fiber tractography and to another graph based algorithm. The BootGraph shows a very good performance in crossing situations with respect to false negatives and permits incorporating additional constraints, such as a curvature threshold. By inheriting the advantages of the bootstrap method and graph theory, the BootGraph method provides a computationally efficient and flexible probabilistic tractography setup to compute connection probability maps and virtual fiber pathways without the drawbacks of

Data-driven execution of fast multipole methods

KAUST Repository

Ltaief, Hatem; Yokota, Rio

2013-01-01

time-consuming stages of the FMMs into smaller tasks. The algorithm can then be represented as a directed acyclic graph where nodes represent tasks and edges represent dependencies among them. The execution of the algorithm is performed

Equipackable graphs

DEFF Research Database (Denmark)

Vestergaard, Preben Dahl; Hartnell, Bert L.

2006-01-01

There are many results dealing with the problem of decomposing a fixed graph into isomorphic subgraphs. There has also been work on characterizing graphs with the property that one can delete the edges of a number of edge disjoint copies of the subgraph and, regardless of how that is done, the gr...

Khovanov homology of graph-links

Energy Technology Data Exchange (ETDEWEB)

Nikonov, Igor M [M. V. Lomonosov Moscow State University, Faculty of Mechanics and Mathematics, Moscow (Russian Federation)

2012-08-31

Graph-links arise as the intersection graphs of turning chord diagrams of links. Speaking informally, graph-links provide a combinatorial description of links up to mutations. Many link invariants can be reformulated in the language of graph-links. Khovanov homology, a well-known and useful knot invariant, is defined for graph-links in this paper (in the case of the ground field of characteristic two). Bibliography: 14 titles.

Generalized connectivity of graphs

CERN Document Server

Li, Xueliang

2016-01-01

Noteworthy results, proof techniques, open problems and conjectures in generalized (edge-) connectivity are discussed in this book. Both theoretical and practical analyses for generalized (edge-) connectivity of graphs are provided. Topics covered in this book include: generalized (edge-) connectivity of graph classes, algorithms, computational complexity, sharp bounds, Nordhaus-Gaddum-type results, maximum generalized local connectivity, extremal problems, random graphs, multigraphs, relations with the Steiner tree packing problem and generalizations of connectivity. This book enables graduate students to understand and master a segment of graph theory and combinatorial optimization. Researchers in graph theory, combinatorics, combinatorial optimization, probability, computer science, discrete algorithms, complexity analysis, network design, and the information transferring models will find this book useful in their studies.

On two energy-like invariants of line graphs and related graph operations

Directory of Open Access Journals (Sweden)

Xiaodan Chen

2016-02-01

Full Text Available Abstract For a simple graph G of order n, let μ 1 ≥ μ 2 ≥ ⋯ ≥ μ n = 0 $\\mu_{1}\\geq\\mu_{2}\\geq\\cdots\\geq\\mu_{n}=0$ be its Laplacian eigenvalues, and let q 1 ≥ q 2 ≥ ⋯ ≥ q n ≥ 0 $q_{1}\\geq q_{2}\\geq\\cdots\\geq q_{n}\\geq0$ be its signless Laplacian eigenvalues. The Laplacian-energy-like invariant and incidence energy of G are defined as, respectively, LEL ( G = ∑ i = 1 n − 1 μ i and IE ( G = ∑ i = 1 n q i . $$\\mathit{LEL}(G=\\sum_{i=1}^{n-1}\\sqrt{ \\mu_{i}} \\quad\\mbox{and}\\quad \\mathit {IE}(G=\\sum_{i=1}^{n} \\sqrt{q_{i}}. $$ In this paper, we present some new upper and lower bounds on LEL and IE of line graph, subdivision graph, para-line graph and total graph of a regular graph, some of which improve previously known results. The main tools we use here are the Cauchy-Schwarz inequality and the Ozeki inequality.

Rhodium-Catalyzed Insertion Reaction of PhP Group of Pentaphenylcyclopentaphosphine with Acyclic and Cyclic Disulfides.

Science.gov (United States)

Arisawa, Mieko; Sawahata, Kyosuke; Yamada, Tomoki; Sarkar, Debayan; Yamaguchi, Masahiko

2018-02-16

Organophosphorus compounds with a phosphorus atom attached to a phenyl group and two organothio/organoseleno groups were synthesized using the rhodium-catalyzed insertion reaction of the PhP group of pentaphenylcyclopentaphosphine (PhP) 5 with acyclic disulfides and diselenides. The method was applied to the synthesis of heterocyclic compounds containing the S-P-S group by the reaction of (PhP) 5 and cyclic disulfides such as 1,2-dithietes, 1,2-dithiocane, 1,4,5-dithiopane, and 1,2-dithiolanes.

Price Competition on Graphs

OpenAIRE

Adriaan R. Soetevent

2010-01-01

This paper extends Hotelling's model of price competition with quadratic transportation costs from a line to graphs. I propose an algorithm to calculate firm-level demand for any given graph, conditional on prices and firm locations. One feature of graph models of price competition is that spatial discontinuities in firm-level demand may occur. I show that the existence result of D'Aspremont et al. (1979) does not extend to simple star graphs. I conjecture that this non-existence result holds...

Price Competition on Graphs

OpenAIRE

Pim Heijnen; Adriaan Soetevent

2014-01-01

This paper extends Hotelling's model of price competition with quadratic transportation costs from a line to graphs. We derive an algorithm to calculate firm-level demand for any given graph, conditional on prices and firm locations. These graph models of price competition may lead to spatial discontinuities in firm-level demand. We show that the existence result of D'Aspremont et al. (1979) does not extend to simple star graphs and conjecture that this non-existence result holds more general...

Skew-adjacency matrices of graphs

NARCIS (Netherlands)

Cavers, M.; Cioaba, S.M.; Fallat, S.; Gregory, D.A.; Haemers, W.H.; Kirkland, S.J.; McDonald, J.J.; Tsatsomeros, M.

2012-01-01

The spectra of the skew-adjacency matrices of a graph are considered as a possible way to distinguish adjacency cospectral graphs. This leads to the following topics: graphs whose skew-adjacency matrices are all cospectral; relations between the matchings polynomial of a graph and the characteristic

Graph theory

CERN Document Server

Diestel, Reinhard

2017-01-01

This standard textbook of modern graph theory, now in its fifth edition, combines the authority of a classic with the engaging freshness of style that is the hallmark of active mathematics. It covers the core material of the subject with concise yet reliably complete proofs, while offering glimpses of more advanced methods in each field by one or two deeper results, again with proofs given in full detail. The book can be used as a reliable text for an introductory course, as a graduate text, and for self-study. From the reviews: “This outstanding book cannot be substituted with any other book on the present textbook market. It has every chance of becoming the standard textbook for graph theory.”Acta Scientiarum Mathematiciarum “Deep, clear, wonderful. This is a serious book about the heart of graph theory. It has depth and integrity. ”Persi Diaconis & Ron Graham, SIAM Review “The book has received a very enthusiastic reception, which it amply deserves. A masterly elucidation of modern graph theo...

Graph Sampling for Covariance Estimation

KAUST Repository

Chepuri, Sundeep Prabhakar

2017-04-25

In this paper the focus is on subsampling as well as reconstructing the second-order statistics of signals residing on nodes of arbitrary undirected graphs. Second-order stationary graph signals may be obtained by graph filtering zero-mean white noise and they admit a well-defined power spectrum whose shape is determined by the frequency response of the graph filter. Estimating the graph power spectrum forms an important component of stationary graph signal processing and related inference tasks such as Wiener prediction or inpainting on graphs. The central result of this paper is that by sampling a significantly smaller subset of vertices and using simple least squares, we can reconstruct the second-order statistics of the graph signal from the subsampled observations, and more importantly, without any spectral priors. To this end, both a nonparametric approach as well as parametric approaches including moving average and autoregressive models for the graph power spectrum are considered. The results specialize for undirected circulant graphs in that the graph nodes leading to the best compression rates are given by the so-called minimal sparse rulers. A near-optimal greedy algorithm is developed to design the subsampling scheme for the non-parametric and the moving average models, whereas a particular subsampling scheme that allows linear estimation for the autoregressive model is proposed. Numerical experiments on synthetic as well as real datasets related to climatology and processing handwritten digits are provided to demonstrate the developed theory.

Price competition on graphs

NARCIS (Netherlands)

Soetevent, A.R.

2010-01-01

This paper extends Hotelling's model of price competition with quadratic transportation costs from a line to graphs. I propose an algorithm to calculate firm-level demand for any given graph, conditional on prices and firm locations. One feature of graph models of price competition is that spatial

Graphing the order of the sexes: constructing, recalling, interpreting, and putting the self in gender difference graphs.

Science.gov (United States)

Hegarty, Peter; Lemieux, Anthony F; McQueen, Grant

2010-03-01

Graphs seem to connote facts more than words or tables do. Consequently, they seem unlikely places to spot implicit sexism at work. Yet, in 6 studies (N = 741), women and men constructed (Study 1) and recalled (Study 2) gender difference graphs with men's data first, and graphed powerful groups (Study 3) and individuals (Study 4) ahead of weaker ones. Participants who interpreted graph order as evidence of author "bias" inferred that the author graphed his or her own gender group first (Study 5). Women's, but not men's, preferences to graph men first were mitigated when participants graphed a difference between themselves and an opposite-sex friend prior to graphing gender differences (Study 6). Graph production and comprehension are affected by beliefs and suppositions about the groups represented in graphs to a greater degree than cognitive models of graph comprehension or realist models of scientific thinking have yet acknowledged.

Collective Rationality in Graph Aggregation

NARCIS (Netherlands)

Endriss, U.; Grandi, U.; Schaub, T.; Friedrich, G.; O'Sullivan, B.

2014-01-01

Suppose a number of agents each provide us with a directed graph over a common set of vertices. Graph aggregation is the problem of computing a single “collective” graph that best represents the information inherent in this profile of individual graphs. We consider this aggregation problem from the

GoFFish: A Sub-Graph Centric Framework for Large-Scale Graph Analytics1

Energy Technology Data Exchange (ETDEWEB)

Simmhan, Yogesh; Kumbhare, Alok; Wickramaarachchi, Charith; Nagarkar, Soonil; Ravi, Santosh; Raghavendra, Cauligi; Prasanna, Viktor

2014-08-25

Large scale graph processing is a major research area for Big Data exploration. Vertex centric programming models like Pregel are gaining traction due to their simple abstraction that allows for scalable execution on distributed systems naturally. However, there are limitations to this approach which cause vertex centric algorithms to under-perform due to poor compute to communication overhead ratio and slow convergence of iterative superstep. In this paper we introduce GoFFish a scalable sub-graph centric framework co-designed with a distributed persistent graph storage for large scale graph analytics on commodity clusters. We introduce a sub-graph centric programming abstraction that combines the scalability of a vertex centric approach with the flexibility of shared memory sub-graph computation. We map Connected Components, SSSP and PageRank algorithms to this model to illustrate its flexibility. Further, we empirically analyze GoFFish using several real world graphs and demonstrate its significant performance improvement, orders of magnitude in some cases, compared to Apache Giraph, the leading open source vertex centric implementation. We map Connected Components, SSSP and PageRank algorithms to this model to illustrate its flexibility. Further, we empirically analyze GoFFish using several real world graphs and demonstrate its significant performance improvement, orders of magnitude in some cases, compared to Apache Giraph, the leading open source vertex centric implementation.

Graph Theory. 1. Fragmentation of Structural Graphs

Directory of Open Access Journals (Sweden)

Lorentz JÄNTSCHI

2002-12-01

Full Text Available The investigation of structural graphs has many fields of applications in engineering, especially in applied sciences like as applied chemistry and physics, computer sciences and automation, electronics and telecommunication. The main subject of the paper is to express fragmentation criteria in graph using a new method of investigation: terminal paths. Using terminal paths are defined most of the fragmentation criteria that are in use in molecular topology, but the fields of applications are more generally than that, as I mentioned before. Graphical examples of fragmentation are given for every fragmentation criteria. Note that all fragmentation is made with a computer program that implements a routine for every criterion.[1] A web routine for tracing all terminal paths in graph can be found at the address: http://vl.academicdirect.ro/molecular_topology/tpaths/ [1] M. V. Diudea, I. Gutman, L. Jäntschi, Molecular Topology, Nova Science, Commack, New York, 2001, 2002.

Synthesis and biological evaluation of acyclic nucleotide analogues with a furo[2,3-d]pyrimidin-2(3H)-one base

Czech Academy of Sciences Publication Activity Database

Janeba, Zlatko; Holý, Antonín; Pohl, Radek; Snoeck, R.; Andrei, G.; De Clercq, E.; Balzarini, J.

2010-01-01

Roč. 88, č. 7 (2010), s. 628-638 ISSN 0008-4042 R&D Projects: GA MŠk 1M0508 Institutional research plan: CEZ:AV0Z40550506 Keywords : acyclic nucleoside phosphonates * Sonogashira reaction * intramolecular cyclization Subject RIV: CC - Organic Chemistry Impact factor: 1.374, year: 2010

Introductory graph theory

CERN Document Server

Chartrand, Gary

1984-01-01

Graph theory is used today in the physical sciences, social sciences, computer science, and other areas. Introductory Graph Theory presents a nontechnical introduction to this exciting field in a clear, lively, and informative style. Author Gary Chartrand covers the important elementary topics of graph theory and its applications. In addition, he presents a large variety of proofs designed to strengthen mathematical techniques and offers challenging opportunities to have fun with mathematics. Ten major topics - profusely illustrated - include: Mathematical Models, Elementary Concepts of Grap

Creating more effective graphs

CERN Document Server

Robbins, Naomi B

2012-01-01

A succinct and highly readable guide to creating effective graphs The right graph can be a powerful tool for communicating information, improving a presentation, or conveying your point in print. If your professional endeavors call for you to present data graphically, here's a book that can help you do it more effectively. Creating More Effective Graphs gives you the basic knowledge and techniques required to choose and create appropriate graphs for a broad range of applications. Using real-world examples everyone can relate to, the author draws on her years of experience in gr

Graph Compression by BFS

Directory of Open Access Journals (Sweden)

Alberto Apostolico

2009-08-01

Full Text Available The Web Graph is a large-scale graph that does not fit in main memory, so that lossless compression methods have been proposed for it. This paper introduces a compression scheme that combines efficient storage with fast retrieval for the information in a node. The scheme exploits the properties of the Web Graph without assuming an ordering of the URLs, so that it may be applied to more general graphs. Tests on some datasets of use achieve space savings of about 10% over existing methods.

Graphing Inequalities, Connecting Meaning

Science.gov (United States)

Switzer, J. Matt

2014-01-01

Students often have difficulty with graphing inequalities (see Filloy, Rojano, and Rubio 2002; Drijvers 2002), and J. Matt Switzer's students were no exception. Although students can produce graphs for simple inequalities, they often struggle when the format of the inequality is unfamiliar. Even when producing a correct graph of an…

Fuzzy Graph Language Recognizability

OpenAIRE

Kalampakas , Antonios; Spartalis , Stefanos; Iliadis , Lazaros

2012-01-01

Part 5: Fuzzy Logic; International audience; Fuzzy graph language recognizability is introduced along the lines of the established theory of syntactic graph language recognizability by virtue of the algebraic structure of magmoids. The main closure properties of the corresponding class are investigated and several interesting examples of fuzzy graph languages are examined.

Bell inequalities for graph states

International Nuclear Information System (INIS)

Toth, G.; Hyllus, P.; Briegel, H.J.; Guehne, O.

2005-01-01

Full text: In the last years graph states have attracted an increasing interest in the field of quantum information theory. Graph states form a family of multi-qubit states which comprises many popular states such as the GHZ states and the cluster states. They also play an important role in applications. For instance, measurement based quantum computation uses graph states as resources. From a theoretical point of view, it is remarkable that graph states allow for a simple description in terms of stabilizing operators. In this contribution, we investigate the non-local properties of graph states. We derive a family of Bell inequalities which require three measurement settings for each party and are maximally violated by graph states. In turn, any graph state violates at least one of the inequalities. We show that for certain types of graph states the violation of these inequalities increases exponentially with the number of qubits. We also discuss connections to other entanglement properties such as the positively of the partial transpose or the geometric measure of entanglement. (author)

Quantitative graph theory mathematical foundations and applications

CERN Document Server

Dehmer, Matthias

2014-01-01

The first book devoted exclusively to quantitative graph theory, Quantitative Graph Theory: Mathematical Foundations and Applications presents and demonstrates existing and novel methods for analyzing graphs quantitatively. Incorporating interdisciplinary knowledge from graph theory, information theory, measurement theory, and statistical techniques, this book covers a wide range of quantitative-graph theoretical concepts and methods, including those pertaining to real and random graphs such as:Comparative approaches (graph similarity or distance)Graph measures to characterize graphs quantitat

Dynamic Representations of Sparse Graphs

DEFF Research Database (Denmark)

Brodal, Gerth Stølting; Fagerberg, Rolf

1999-01-01

We present a linear space data structure for maintaining graphs with bounded arboricity—a large class of sparse graphs containing e.g. planar graphs and graphs of bounded treewidth—under edge insertions, edge deletions, and adjacency queries. The data structure supports adjacency queries in worst...... case O(c) time, and edge insertions and edge deletions in amortized O(1) and O(c+log n) time, respectively, where n is the number of nodes in the graph, and c is the bound on the arboricity....

Spectral fluctuations of quantum graphs

International Nuclear Information System (INIS)

Pluhař, Z.; Weidenmüller, H. A.

2014-01-01

We prove the Bohigas-Giannoni-Schmit conjecture in its most general form for completely connected simple graphs with incommensurate bond lengths. We show that for graphs that are classically mixing (i.e., graphs for which the spectrum of the classical Perron-Frobenius operator possesses a finite gap), the generating functions for all (P,Q) correlation functions for both closed and open graphs coincide (in the limit of infinite graph size) with the corresponding expressions of random-matrix theory, both for orthogonal and for unitary symmetry

Multiple graph regularized protein domain ranking.

Science.gov (United States)

Wang, Jim Jing-Yan; Bensmail, Halima; Gao, Xin

2012-11-19

Protein domain ranking is a fundamental task in structural biology. Most protein domain ranking methods rely on the pairwise comparison of protein domains while neglecting the global manifold structure of the protein domain database. Recently, graph regularized ranking that exploits the global structure of the graph defined by the pairwise similarities has been proposed. However, the existing graph regularized ranking methods are very sensitive to the choice of the graph model and parameters, and this remains a difficult problem for most of the protein domain ranking methods. To tackle this problem, we have developed the Multiple Graph regularized Ranking algorithm, MultiG-Rank. Instead of using a single graph to regularize the ranking scores, MultiG-Rank approximates the intrinsic manifold of protein domain distribution by combining multiple initial graphs for the regularization. Graph weights are learned with ranking scores jointly and automatically, by alternately minimizing an objective function in an iterative algorithm. Experimental results on a subset of the ASTRAL SCOP protein domain database demonstrate that MultiG-Rank achieves a better ranking performance than single graph regularized ranking methods and pairwise similarity based ranking methods. The problem of graph model and parameter selection in graph regularized protein domain ranking can be solved effectively by combining multiple graphs. This aspect of generalization introduces a new frontier in applying multiple graphs to solving protein domain ranking applications.

Competitive solvent extraction of alkaline-earth cations into chloroform by lipophilic acyclic polyether dicarboxylic acids

International Nuclear Information System (INIS)

Kang, S.I.; Czech, A.; Czech, B.P.; Stewart, L.E.; Bartsch, R.A.

1985-01-01

Competitive solvent extraction of alkaline-earth cations from aqueous solutions into chloroform by a series of lipophilic acyclic polyether dicarboxylic acids is reported. The influence of polyether chain length and of terminal carboxylic acid group variation upon extraction selectivity and efficiency is assessed. In the competitive extraction of concentrated magnesium, calcium, strontium and barium chloride solutions, one complexing agent exhibits pronounced selectivity for barium with Ba 2+ /S 2+ = 50, Ba 2+ /Ca 2+ = 250, and no detectable Mg 2+ extraction. 20 references, 3 figures, 1 table

ON BIPOLAR SINGLE VALUED NEUTROSOPHIC GRAPHS

OpenAIRE

Said Broumi; Mohamed Talea; Assia Bakali; Florentin Smarandache

2016-01-01

In this article, we combine the concept of bipolar neutrosophic set and graph theory. We introduce the notions of bipolar single valued neutrosophic graphs, strong bipolar single valued neutrosophic graphs, complete bipolar single valued neutrosophic graphs, regular bipolar single valued neutrosophic graphs and investigate some of their related properties.

Practical graph mining with R

CERN Document Server

Hendrix, William; Jenkins, John; Padmanabhan, Kanchana; Chakraborty, Arpan

2014-01-01

Practical Graph Mining with R presents a "do-it-yourself" approach to extracting interesting patterns from graph data. It covers many basic and advanced techniques for the identification of anomalous or frequently recurring patterns in a graph, the discovery of groups or clusters of nodes that share common patterns of attributes and relationships, the extraction of patterns that distinguish one category of graphs from another, and the use of those patterns to predict the category of new graphs. Hands-On Application of Graph Data Mining Each chapter in the book focuses on a graph mining task, such as link analysis, cluster analysis, and classification. Through applications using real data sets, the book demonstrates how computational techniques can help solve real-world problems. The applications covered include network intrusion detection, tumor cell diagnostics, face recognition, predictive toxicology, mining metabolic and protein-protein interaction networks, and community detection in social networks. De...

Failure probability analysis of optical grid

Science.gov (United States)

Zhong, Yaoquan; Guo, Wei; Sun, Weiqiang; Jin, Yaohui; Hu, Weisheng

2008-11-01

Optical grid, the integrated computing environment based on optical network, is expected to be an efficient infrastructure to support advanced data-intensive grid applications. In optical grid, the faults of both computational and network resources are inevitable due to the large scale and high complexity of the system. With the optical network based distributed computing systems extensive applied in the processing of data, the requirement of the application failure probability have been an important indicator of the quality of application and an important aspect the operators consider. This paper will present a task-based analysis method of the application failure probability in optical grid. Then the failure probability of the entire application can be quantified, and the performance of reducing application failure probability in different backup strategies can be compared, so that the different requirements of different clients can be satisfied according to the application failure probability respectively. In optical grid, when the application based DAG (directed acyclic graph) is executed in different backup strategies, the application failure probability and the application complete time is different. This paper will propose new multi-objective differentiated services algorithm (MDSA). New application scheduling algorithm can guarantee the requirement of the failure probability and improve the network resource utilization, realize a compromise between the network operator and the application submission. Then differentiated services can be achieved in optical grid.

A seminar on graph theory

CERN Document Server

Harary, Frank

2015-01-01

Presented in 1962-63 by experts at University College, London, these lectures offer a variety of perspectives on graph theory. Although the opening chapters form a coherent body of graph theoretic concepts, this volume is not a text on the subject but rather an introduction to the extensive literature of graph theory. The seminar's topics are geared toward advanced undergraduate students of mathematics.Lectures by this volume's editor, Frank Harary, include ""Some Theorems and Concepts of Graph Theory,"" ""Topological Concepts in Graph Theory,"" ""Graphical Reconstruction,"" and other introduc

Influence of Two Acyclic Homoterpenes (Tetranorterpenes) on the Foraging Behavior of Anthonomus grandis Boh.

Science.gov (United States)

Magalhães, D M; Borges, M; Laumann, R A; Woodcock, C M; Pickett, J A; Birkett, M A; Blassioli-Moraes, Maria Carolina

2016-04-01

Previous studies have shown that the boll weevil, Anthonomus grandis, is attracted to constitutive and conspecific herbivore-induced cotton volatiles, preferring the blend emitted by cotton at the reproductive over the vegetative stage. Moreover, this preference was paralleled by the release of the acyclic homoterpenes (tetranorterpenes) (E)-4,8-dimethyl-1,3,7-nonatriene (DMNT) and (E,E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene (TMTT) in Delta Opal cotton being higher at the vegetative than at the reproductive stage. Here, we evaluated whether this difference in release of acyclic homoterpenes also occurred in other cotton varieties, and if boll weevils could recognize these compounds as indicators of a specific cotton phenological stage. Results showed that cotton genotypes CNPA TB-90, BRS-293 and Delta Opal all produced higher levels of DMNT and TMTT at the vegetative stage than at the reproductive stage and that these homoterpenes allowed for principal component analysis separation of volatiles produced by the two phenological stages. Electroantennograms confirmed boll weevil antennal responses to DMNT and TMTT. Behavioral assays, using Y-tube olfactometers, showed that adding synthetic homoterpenes to reproductive cotton volatiles (mimicking cotton at the vegetative stage in terms of homoterpene levels) resulted in reduced attraction to boll weevils compared to that to unmodified reproductive cotton. Weevils showed no preference when given a choice between plants at the vegetative stage and the vegetative stage-mimicked plant. Altogether, the results show that DMNT and TMTT are used by boll weevils to distinguish between cotton phenological stages.

Uniform Single Valued Neutrosophic Graphs

Directory of Open Access Journals (Sweden)

S. Broumi

2017-09-01

Full Text Available In this paper, we propose a new concept named the uniform single valued neutrosophic graph. An illustrative example and some properties are examined. Next, we develop an algorithmic approach for computing the complement of the single valued neutrosophic graph. A numerical example is demonstrated for computing the complement of single valued neutrosophic graphs and uniform single valued neutrosophic graph.

Extremal graph theory

CERN Document Server

Bollobas, Bela

2004-01-01

The ever-expanding field of extremal graph theory encompasses a diverse array of problem-solving methods, including applications to economics, computer science, and optimization theory. This volume, based on a series of lectures delivered to graduate students at the University of Cambridge, presents a concise yet comprehensive treatment of extremal graph theory.Unlike most graph theory treatises, this text features complete proofs for almost all of its results. Further insights into theory are provided by the numerous exercises of varying degrees of difficulty that accompany each chapter. A

Multiple graph regularized protein domain ranking

KAUST Repository

Wang, Jim Jing-Yan

2012-11-19

Background: Protein domain ranking is a fundamental task in structural biology. Most protein domain ranking methods rely on the pairwise comparison of protein domains while neglecting the global manifold structure of the protein domain database. Recently, graph regularized ranking that exploits the global structure of the graph defined by the pairwise similarities has been proposed. However, the existing graph regularized ranking methods are very sensitive to the choice of the graph model and parameters, and this remains a difficult problem for most of the protein domain ranking methods.Results: To tackle this problem, we have developed the Multiple Graph regularized Ranking algorithm, MultiG-Rank. Instead of using a single graph to regularize the ranking scores, MultiG-Rank approximates the intrinsic manifold of protein domain distribution by combining multiple initial graphs for the regularization. Graph weights are learned with ranking scores jointly and automatically, by alternately minimizing an objective function in an iterative algorithm. Experimental results on a subset of the ASTRAL SCOP protein domain database demonstrate that MultiG-Rank achieves a better ranking performance than single graph regularized ranking methods and pairwise similarity based ranking methods.Conclusion: The problem of graph model and parameter selection in graph regularized protein domain ranking can be solved effectively by combining multiple graphs. This aspect of generalization introduces a new frontier in applying multiple graphs to solving protein domain ranking applications. 2012 Wang et al; licensee BioMed Central Ltd.

Multiple graph regularized protein domain ranking

KAUST Repository

Wang, Jim Jing-Yan; Bensmail, Halima; Gao, Xin

2012-01-01

Background: Protein domain ranking is a fundamental task in structural biology. Most protein domain ranking methods rely on the pairwise comparison of protein domains while neglecting the global manifold structure of the protein domain database. Recently, graph regularized ranking that exploits the global structure of the graph defined by the pairwise similarities has been proposed. However, the existing graph regularized ranking methods are very sensitive to the choice of the graph model and parameters, and this remains a difficult problem for most of the protein domain ranking methods.Results: To tackle this problem, we have developed the Multiple Graph regularized Ranking algorithm, MultiG-Rank. Instead of using a single graph to regularize the ranking scores, MultiG-Rank approximates the intrinsic manifold of protein domain distribution by combining multiple initial graphs for the regularization. Graph weights are learned with ranking scores jointly and automatically, by alternately minimizing an objective function in an iterative algorithm. Experimental results on a subset of the ASTRAL SCOP protein domain database demonstrate that MultiG-Rank achieves a better ranking performance than single graph regularized ranking methods and pairwise similarity based ranking methods.Conclusion: The problem of graph model and parameter selection in graph regularized protein domain ranking can be solved effectively by combining multiple graphs. This aspect of generalization introduces a new frontier in applying multiple graphs to solving protein domain ranking applications. 2012 Wang et al; licensee BioMed Central Ltd.

Multiple graph regularized protein domain ranking

Directory of Open Access Journals (Sweden)

Wang Jim

2012-11-01

Full Text Available Abstract Background Protein domain ranking is a fundamental task in structural biology. Most protein domain ranking methods rely on the pairwise comparison of protein domains while neglecting the global manifold structure of the protein domain database. Recently, graph regularized ranking that exploits the global structure of the graph defined by the pairwise similarities has been proposed. However, the existing graph regularized ranking methods are very sensitive to the choice of the graph model and parameters, and this remains a difficult problem for most of the protein domain ranking methods. Results To tackle this problem, we have developed the Multiple Graph regularized Ranking algorithm, MultiG-Rank. Instead of using a single graph to regularize the ranking scores, MultiG-Rank approximates the intrinsic manifold of protein domain distribution by combining multiple initial graphs for the regularization. Graph weights are learned with ranking scores jointly and automatically, by alternately minimizing an objective function in an iterative algorithm. Experimental results on a subset of the ASTRAL SCOP protein domain database demonstrate that MultiG-Rank achieves a better ranking performance than single graph regularized ranking methods and pairwise similarity based ranking methods. Conclusion The problem of graph model and parameter selection in graph regularized protein domain ranking can be solved effectively by combining multiple graphs. This aspect of generalization introduces a new frontier in applying multiple graphs to solving protein domain ranking applications.

Canonical Labelling of Site Graphs

Directory of Open Access Journals (Sweden)

Nicolas Oury

2013-06-01

Full Text Available We investigate algorithms for canonical labelling of site graphs, i.e. graphs in which edges bind vertices on sites with locally unique names. We first show that the problem of canonical labelling of site graphs reduces to the problem of canonical labelling of graphs with edge colourings. We then present two canonical labelling algorithms based on edge enumeration, and a third based on an extension of Hopcroft's partition refinement algorithm. All run in quadratic worst case time individually. However, one of the edge enumeration algorithms runs in sub-quadratic time for graphs with "many" automorphisms, and the partition refinement algorithm runs in sub-quadratic time for graphs with "few" bisimulation equivalences. This suite of algorithms was chosen based on the expectation that graphs fall in one of those two categories. If that is the case, a combined algorithm runs in sub-quadratic worst case time. Whether this expectation is reasonable remains an interesting open problem.

Domination criticality in product graphs

Directory of Open Access Journals (Sweden)

M.R. Chithra

2015-07-01

Full Text Available A connected dominating set is an important notion and has many applications in routing and management of networks. Graph products have turned out to be a good model of interconnection networks. This motivated us to study the Cartesian product of graphs G with connected domination number, γc(G=2,3 and characterize such graphs. Also, we characterize the k−γ-vertex (edge critical graphs and k−γc-vertex (edge critical graphs for k=2,3 where γ denotes the domination number of G. We also discuss the vertex criticality in grids.

Graph Creation, Visualisation and Transformation

Directory of Open Access Journals (Sweden)

Maribel Fernández

2010-03-01

Full Text Available We describe a tool to create, edit, visualise and compute with interaction nets - a form of graph rewriting systems. The editor, called GraphPaper, allows users to create and edit graphs and their transformation rules using an intuitive user interface. The editor uses the functionalities of the TULIP system, which gives us access to a wealth of visualisation algorithms. Interaction nets are not only a formalism for the specification of graphs, but also a rewrite-based computation model. We discuss graph rewriting strategies and a language to express them in order to perform strategic interaction net rewriting.

Graph Colouring Algorithms

DEFF Research Database (Denmark)

Husfeldt, Thore

2015-01-01

This chapter presents an introduction to graph colouring algorithms. The focus is on vertex-colouring algorithms that work for general classes of graphs with worst-case performance guarantees in a sequential model of computation. The presentation aims to demonstrate the breadth of available...

The fascinating world of graph theory

CERN Document Server

Benjamin, Arthur; Zhang, Ping

2015-01-01

Graph theory goes back several centuries and revolves around the study of graphs-mathematical structures showing relations between objects. With applications in biology, computer science, transportation science, and other areas, graph theory encompasses some of the most beautiful formulas in mathematics-and some of its most famous problems. The Fascinating World of Graph Theory explores the questions and puzzles that have been studied, and often solved, through graph theory. This book looks at graph theory's development and the vibrant individuals responsible for the field's growth. Introducin

Classical dynamics on graphs

International Nuclear Information System (INIS)

Barra, F.; Gaspard, P.

2001-01-01

We consider the classical evolution of a particle on a graph by using a time-continuous Frobenius-Perron operator that generalizes previous propositions. In this way, the relaxation rates as well as the chaotic properties can be defined for the time-continuous classical dynamics on graphs. These properties are given as the zeros of some periodic-orbit zeta functions. We consider in detail the case of infinite periodic graphs where the particle undergoes a diffusion process. The infinite spatial extension is taken into account by Fourier transforms that decompose the observables and probability densities into sectors corresponding to different values of the wave number. The hydrodynamic modes of diffusion are studied by an eigenvalue problem of a Frobenius-Perron operator corresponding to a given sector. The diffusion coefficient is obtained from the hydrodynamic modes of diffusion and has the Green-Kubo form. Moreover, we study finite but large open graphs that converge to the infinite periodic graph when their size goes to infinity. The lifetime of the particle on the open graph is shown to correspond to the lifetime of a system that undergoes a diffusion process before it escapes

Groupies in multitype random graphs

OpenAIRE

Shang, Yilun

2016-01-01

A groupie in a graph is a vertex whose degree is not less than the average degree of its neighbors. Under some mild conditions, we show that the proportion of groupies is very close to 1/2 in multitype random graphs (such as stochastic block models), which include Erd?s-R?nyi random graphs, random bipartite, and multipartite graphs as special examples. Numerical examples are provided to illustrate the theoretical results.

An example of numerical simulation in causal set dynamics

International Nuclear Information System (INIS)

Krugly, Alexey L; Tserkovnikov, Ivan A

2013-01-01

The model of a discrete pregeometry on a microscopic scale is an x-graph. This is a directed acyclic graph. An outdegree and an indegree of each vertex are not more than 2. The sets of vertices and edges of x-graph are particular cases of causal sets. The sequential growth of a graph is an addition of new vertices one by one. A simple stochastic algorithm of sequential growth of x-graph are considered. It is based on a random walk at the x-graph. The particles in this model must be self-organized repetitive structures. We introduce the method of search of such repetitive structures. It is based on a discrete Fourier transformation. An example of numerical simulation is introduced.

Quantum information processing with graph states

International Nuclear Information System (INIS)

Schlingemann, Dirk-Michael

2005-04-01

Graph states are multiparticle states which are associated with graphs. Each vertex of the graph corresponds to a single system or particle. The links describe quantum correlations (entanglement) between pairs of connected particles. Graph states were initiated independently by two research groups: On the one hand, graph states were introduced by Briegel and Raussendorf as a resource for a new model of one-way quantum computing, where algorithms are implemented by a sequence of measurements at single particles. On the other hand, graph states were developed by the author of this thesis and ReinhardWerner in Braunschweig, as a tool to build quantum error correcting codes, called graph codes. The connection between the two approaches was fully realized in close cooperation of both research groups. This habilitation thesis provides a survey of the theory of graph codes, focussing mainly, but not exclusively on the author's own research work. We present the theoretical and mathematical background for the analysis of graph codes. The concept of one-way quantum computing for general graph states is discussed. We explicitly show how to realize the encoding and decoding device of a graph code on a one-way quantum computer. This kind of implementation is to be seen as a mathematical description of a quantum memory device. In addition to that, we investigate interaction processes, which enable the creation of graph states on very large systems. Particular graph states can be created, for instance, by an Ising type interaction between next neighbor particles which sits at the points of an infinitely extended cubic lattice. Based on the theory of quantum cellular automata, we give a constructive characterization of general interactions which create a translationally invariant graph state. (orig.)

Fibonacci number of the tadpole graph

Directory of Open Access Journals (Sweden)

Joe DeMaio

2014-10-01

Full Text Available In 1982, Prodinger and Tichy defined the Fibonacci number of a graph G to be the number of independent sets of the graph G. They did so since the Fibonacci number of the path graph Pn is the Fibonacci number F(n+2 and the Fibonacci number of the cycle graph Cn is the Lucas number Ln. The tadpole graph Tn,k is the graph created by concatenating Cn and Pk with an edge from any vertex of Cn to a pendant of Pk for integers n=3 and k=0. This paper establishes formulae and identities for the Fibonacci number of the tadpole graph via algebraic and combinatorial methods.

On characterizing terrain visibility graphs

Directory of Open Access Journals (Sweden)

William Evans

2015-06-01

Full Text Available A terrain is an $x$-monotone polygonal line in the $xy$-plane. Two vertices of a terrain are mutually visible if and only if there is no terrain vertex on or above the open line segment connecting them. A graph whose vertices represent terrain vertices and whose edges represent mutually visible pairs of terrain vertices is called a terrain visibility graph. We would like to find properties that are both necessary and sufficient for a graph to be a terrain visibility graph; that is, we would like to characterize terrain visibility graphs.Abello et al. [Discrete and Computational Geometry, 14(3:331--358, 1995] showed that all terrain visibility graphs are “persistent”. They showed that the visibility information of a terrain point set implies some ordering requirements on the slopes of the lines connecting pairs of points in any realization, and as a step towards showing sufficiency, they proved that for any persistent graph $M$ there is a total order on the slopes of the (pseudo lines in a generalized configuration of points whose visibility graph is $M$.We give a much simpler proof of this result by establishing an orientation to every triple of vertices, reflecting some slope ordering requirements that are consistent with $M$ being the visibility graph, and prove that these requirements form a partial order. We give a faster algorithm to construct a total order on the slopes. Our approach attempts to clarify the implications of the graph theoretic properties on the ordering of the slopes, and may be interpreted as defining properties on an underlying oriented matroid that we show is a restricted type of $3$-signotope.

Network reconstruction via graph blending

Science.gov (United States)

Estrada, Rolando

2016-05-01

Graphs estimated from empirical data are often noisy and incomplete due to the difficulty of faithfully observing all the components (nodes and edges) of the true graph. This problem is particularly acute for large networks where the number of components may far exceed available surveillance capabilities. Errors in the observed graph can render subsequent analyses invalid, so it is vital to develop robust methods that can minimize these observational errors. Errors in the observed graph may include missing and spurious components, as well fused (multiple nodes are merged into one) and split (a single node is misinterpreted as many) nodes. Traditional graph reconstruction methods are only able to identify missing or spurious components (primarily edges, and to a lesser degree nodes), so we developed a novel graph blending framework that allows us to cast the full estimation problem as a simple edge addition/deletion problem. Armed with this framework, we systematically investigate the viability of various topological graph features, such as the degree distribution or the clustering coefficients, and existing graph reconstruction methods for tackling the full estimation problem. Our experimental results suggest that incorporating any topological feature as a source of information actually hinders reconstruction accuracy. We provide a theoretical analysis of this phenomenon and suggest several avenues for improving this estimation problem.

Estimation of apparent binding constant of complexes of selected acyclic nucleoside phosphonates with beta-cyclodextrin by affinity capillary electrophoresis

Czech Academy of Sciences Publication Activity Database

Šolínová, Veronika; Mikysková, Hana; Kaiser, Martin Maxmilian; Janeba, Zlatko; Holý, Antonín; Kašička, Václav

2016-01-01

Roč. 37, č. 2 (2016), s. 239-247 ISSN 0173-0835 R&D Projects: GA ČR(CZ) GA13-17224S; GA ČR(CZ) GA15-01948S Institutional support: RVO:61388963 Keywords : acyclic nucleoside phosphonates * affinity capillary electrophoresis * binding constant * nucleotide analogs * beta-cyclodextrin Subject RIV: CB - Analytical Chemistry , Separation Impact factor: 2.744, year: 2016

Interaction graphs

DEFF Research Database (Denmark)

Seiller, Thomas

2016-01-01

Interaction graphs were introduced as a general, uniform, construction of dynamic models of linear logic, encompassing all Geometry of Interaction (GoI) constructions introduced so far. This series of work was inspired from Girard's hyperfinite GoI, and develops a quantitative approach that should...... be understood as a dynamic version of weighted relational models. Until now, the interaction graphs framework has been shown to deal with exponentials for the constrained system ELL (Elementary Linear Logic) while keeping its quantitative aspect. Adapting older constructions by Girard, one can clearly define...... "full" exponentials, but at the cost of these quantitative features. We show here that allowing interpretations of proofs to use continuous (yet finite in a measure-theoretic sense) sets of states, as opposed to earlier Interaction Graphs constructions were these sets of states were discrete (and finite...

New acyclic secondary metabolites from the biologically active fraction of Albizia lebbeck flowers.

Science.gov (United States)

Al-Massarani, Shaza M; El Gamal, Ali A; Abd El Halim, Mohamed F; Al-Said, Mansour S; Abdel-Kader, Maged S; Basudan, Omer A; Alqasoumi, Saleh I

2017-01-01

The total extract of Albizia lebbeck flowers was examined in vivo for its possible hepatoprotective activity in comparison with the standard drug silymarin at two doses. The higher dose expressed promising activity especially in reducing the levels of AST, ALT and bilirubin. Fractionation via liquid-liquid partition and reexamination of the fractions revealed that the n -butanol fraction was the best in improving liver biochemical parameters followed by the n -hexane fraction. However, serum lipid parameters were best improved with CHCl 3 fraction. The promising biological activity results initiated an intensive chromatographic purification of A. lebbeck flowers fractions. Two compounds were identified from natural source for the first time, the acyclic farnesyl sesquiterpene glycoside1-O-[6-O- α -l-arabinopyranosyl- β -d-glucopyranoside]-(2 E ,6 E -)-farnesol ( 6 ) and the squalene derivative 2,3-dihydroxy-2,3-dihydrosqualene ( 9 ), in addition to eight compounds reported here for the first time from the genus Albizia ; two benzyl glycosides, benzyl 1-O- β -d-glucopyranoside ( 1 ) and benzyl 6-O- α -l-arabinopyranosyl β -d-glucopyranoside ( 2 ); three acyclic monoterpene glycosides, linalyl β -d-glucopyranoside ( 3 ) and linalyl 6-O- α -l-arabinopyranosyl- β -d-glucopyranoside ( 4 ); (2 E )-3,7-dimethylocta-2,6-dienoate-6-O- α -l arabinopyranosyl- β -d-glucopyranoside ( 5 ), two oligoglycosides, n -hexyl- α -l arabinopyranosyl-(1 → 6)- β -d-glucopyranoside (creoside) ( 7 ) and n -octyl α -l-arabinopyranosyl-(1 → 6)- β -d-glucopyranoside (rhodiooctanoside) ( 8 ); and ethyl fructofuranoside ( 10 ). The structures of the isolated compounds were elucidated based on extensive examination of their spectroscopic 1D and 2D-NMR, MS, UV, and IR data. It is worth mentioning that, some of the isolated linalol glycoside derivatives were reported as aroma precursors.

New acyclic secondary metabolites from the biologically active fraction of Albizia lebbeck flowers

Directory of Open Access Journals (Sweden)

Shaza M. Al-Massarani

2017-01-01

Full Text Available The total extract of Albizia lebbeck flowers was examined in vivo for its possible hepatoprotective activity in comparison with the standard drug silymarin at two doses. The higher dose expressed promising activity especially in reducing the levels of AST, ALT and bilirubin. Fractionation via liquid–liquid partition and reexamination of the fractions revealed that the n-butanol fraction was the best in improving liver biochemical parameters followed by the n-hexane fraction. However, serum lipid parameters were best improved with CHCl3 fraction. The promising biological activity results initiated an intensive chromatographic purification of A. lebbeck flowers fractions. Two compounds were identified from natural source for the first time, the acyclic farnesyl sesquiterpene glycoside1-O-[6-O-α-l-arabinopyranosyl-β-d-glucopyranoside]-(2E,6E--farnesol (6 and the squalene derivative 2,3-dihydroxy-2,3-dihydrosqualene (9, in addition to eight compounds reported here for the first time from the genus Albizia; two benzyl glycosides, benzyl 1-O-β-d-glucopyranoside (1 and benzyl 6-O-α-l-arabinopyranosyl β-d-glucopyranoside (2; three acyclic monoterpene glycosides, linalyl β-d-glucopyranoside (3 and linalyl 6-O-α-l-arabinopyranosyl-β-d-glucopyranoside (4; (2E-3,7-dimethylocta-2,6-dienoate-6-O-α-l arabinopyranosyl-β-d-glucopyranoside (5, two oligoglycosides, n-hexyl-α-l arabinopyranosyl-(1 → 6-β-d-glucopyranoside (creoside (7 and n-octyl α-l-arabinopyranosyl-(1 → 6-β-d-glucopyranoside (rhodiooctanoside (8; and ethyl fructofuranoside (10. The structures of the isolated compounds were elucidated based on extensive examination of their spectroscopic 1D and 2D-NMR, MS, UV, and IR data. It is worth mentioning that, some of the isolated linalol glycoside derivatives were reported as aroma precursors.

Groupies in multitype random graphs.

Science.gov (United States)

Shang, Yilun

2016-01-01

A groupie in a graph is a vertex whose degree is not less than the average degree of its neighbors. Under some mild conditions, we show that the proportion of groupies is very close to 1/2 in multitype random graphs (such as stochastic block models), which include Erdős-Rényi random graphs, random bipartite, and multipartite graphs as special examples. Numerical examples are provided to illustrate the theoretical results.

Acyclic cucurbit[n]uril-type molecular containers: influence of aromatic walls on their function as solubilizing excipients for insoluble drugs.

Science.gov (United States)

Zhang, Ben; Isaacs, Lyle

2014-11-26

We studied the influence of the aromatic sidewalls on the ability of acyclic CB[n]-type molecular containers (1a-1e) to act as solubilizing agents for 19 insoluble drugs including the developmental anticancer agent PBS-1086. All five containers exhibit good water solubility and weak self-association (Ks ≤ 624 M(-1)). We constructed phase solubility diagrams to extract Krel and Ka values for the container·drug complexes. The acyclic CB[n]-type containers generally display significantly higher Ka values than HP-β-CD toward drugs. Containers 1a-1e bind the steroidal ring system and aromatic moieties of insoluble drugs. Compound 1b displays highest affinity toward most of the drugs studied. Containers 1a and 1b are broadly applicable and can be used to formulate a wider variety of insoluble drugs than was previously possible with cyclodextrin technology. For drugs that are solubilized by both HP-β-CD and 1a-1e, lower concentrations of 1a-1e are required to achieve identical [drug].

The Harary index of a graph

CERN Document Server

Xu, Kexiang; Trinajstić, Nenad

2015-01-01

This is the first book to focus on the topological index, the Harary index, of a graph, including its mathematical properties, chemical applications and some related and attractive open problems. This book is dedicated to Professor Frank Harary (1921—2005), the grandmaster of graph theory and its applications. It has be written by experts in the field of graph theory and its applications. For a connected graph G, as an important distance-based topological index, the Harary index H(G) is defined as the sum of the reciprocals of the distance between any two unordered vertices of the graph G. In this book, the authors report on the newest results on the Harary index of a graph. These results mainly concern external graphs with respect to the Harary index; the relations to other topological indices; its properties and applications to pure graph theory and chemical graph theory; and two significant variants, i.e., additively and multiplicatively weighted Harary indices. In the last chapter, we present a number o...

A Modal-Logic Based Graph Abstraction

NARCIS (Netherlands)

Bauer, J.; Boneva, I.B.; Kurban, M.E.; Rensink, Arend; Ehrig, H; Heckel, R.; Rozenberg, G.; Taentzer, G.

2008-01-01

Infinite or very large state spaces often prohibit the successful verification of graph transformation systems. Abstract graph transformation is an approach that tackles this problem by abstracting graphs to abstract graphs of bounded size and by lifting application of productions to abstract

Graph mining for next generation sequencing: leveraging the assembly graph for biological insights.

Science.gov (United States)

Warnke-Sommer, Julia; Ali, Hesham

2016-05-06

The assembly of Next Generation Sequencing (NGS) reads remains a challenging task. This is especially true for the assembly of metagenomics data that originate from environmental samples potentially containing hundreds to thousands of unique species. The principle objective of current assembly tools is to assemble NGS reads into contiguous stretches of sequence called contigs while maximizing for both accuracy and contig length. The end goal of this process is to produce longer contigs with the major focus being on assembly only. Sequence read assembly is an aggregative process, during which read overlap relationship information is lost as reads are merged into longer sequences or contigs. The assembly graph is information rich and capable of capturing the genomic architecture of an input read data set. We have developed a novel hybrid graph in which nodes represent sequence regions at different levels of granularity. This model, utilized in the assembly and analysis pipeline Focus, presents a concise yet feature rich view of a given input data set, allowing for the extraction of biologically relevant graph structures for graph mining purposes. Focus was used to create hybrid graphs to model metagenomics data sets obtained from the gut microbiomes of five individuals with Crohn's disease and eight healthy individuals. Repetitive and mobile genetic elements are found to be associated with hybrid graph structure. Using graph mining techniques, a comparative study of the Crohn's disease and healthy data sets was conducted with focus on antibiotics resistance genes associated with transposase genes. Results demonstrated significant differences in the phylogenetic distribution of categories of antibiotics resistance genes in the healthy and diseased patients. Focus was also evaluated as a pure assembly tool and produced excellent results when compared against the Meta-velvet, Omega, and UD-IDBA assemblers. Mining the hybrid graph can reveal biological phenomena captured

Theoretic derivation of directed acyclic subgraph algorithm and comparisons with message passing algorithm

Science.gov (United States)

Ha, Jeongmok; Jeong, Hong

2016-07-01

This study investigates the directed acyclic subgraph (DAS) algorithm, which is used to solve discrete labeling problems much more rapidly than other Markov-random-field-based inference methods but at a competitive accuracy. However, the mechanism by which the DAS algorithm simultaneously achieves competitive accuracy and fast execution speed, has not been elucidated by a theoretical derivation. We analyze the DAS algorithm by comparing it with a message passing algorithm. Graphical models, inference methods, and energy-minimization frameworks are compared between DAS and message passing algorithms. Moreover, the performances of DAS and other message passing methods [sum-product belief propagation (BP), max-product BP, and tree-reweighted message passing] are experimentally compared.

Distance-transitive graphs

NARCIS (Netherlands)

Cohen, A.M.; Beineke, L.W.; Wilson, R.J.; Cameron, P.J.

2004-01-01

In this chapter we investigate the classification of distance-transitive graphs: these are graphs whose automorphism groups are transitive on each of the sets of pairs of vertices at distance i, for i = 0, 1,.... We provide an introduction into the field. By use of the classification of finite

TrajGraph: A Graph-Based Visual Analytics Approach to Studying Urban Network Centralities Using Taxi Trajectory Data.

Science.gov (United States)

Huang, Xiaoke; Zhao, Ye; Yang, Jing; Zhang, Chong; Ma, Chao; Ye, Xinyue

2016-01-01

We propose TrajGraph, a new visual analytics method, for studying urban mobility patterns by integrating graph modeling and visual analysis with taxi trajectory data. A special graph is created to store and manifest real traffic information recorded by taxi trajectories over city streets. It conveys urban transportation dynamics which can be discovered by applying graph analysis algorithms. To support interactive, multiscale visual analytics, a graph partitioning algorithm is applied to create region-level graphs which have smaller size than the original street-level graph. Graph centralities, including Pagerank and betweenness, are computed to characterize the time-varying importance of different urban regions. The centralities are visualized by three coordinated views including a node-link graph view, a map view and a temporal information view. Users can interactively examine the importance of streets to discover and assess city traffic patterns. We have implemented a fully working prototype of this approach and evaluated it using massive taxi trajectories of Shenzhen, China. TrajGraph's capability in revealing the importance of city streets was evaluated by comparing the calculated centralities with the subjective evaluations from a group of drivers in Shenzhen. Feedback from a domain expert was collected. The effectiveness of the visual interface was evaluated through a formal user study. We also present several examples and a case study to demonstrate the usefulness of TrajGraph in urban transportation analysis.

Temporal Representation in Semantic Graphs

Energy Technology Data Exchange (ETDEWEB)

Levandoski, J J; Abdulla, G M

2007-08-07

A wide range of knowledge discovery and analysis applications, ranging from business to biological, make use of semantic graphs when modeling relationships and concepts. Most of the semantic graphs used in these applications are assumed to be static pieces of information, meaning temporal evolution of concepts and relationships are not taken into account. Guided by the need for more advanced semantic graph queries involving temporal concepts, this paper surveys the existing work involving temporal representations in semantic graphs.

The complexity of the matching-cut problem for planar graphs and other graph classes

NARCIS (Netherlands)

Bonsma, P.S.

2009-01-01

The Matching-Cut problem is the problem to decide whether a graph has an edge cut that is also a matching. Previously this problem was studied under the name of the Decomposable Graph Recognition problem, and proved to be -complete when restricted to graphs with maximum degree four. In this paper it

PRIVATE GRAPHS – ACCESS RIGHTS ON GRAPHS FOR SEAMLESS NAVIGATION

Directory of Open Access Journals (Sweden)

W. Dorner

2016-06-01

Full Text Available After the success of GNSS (Global Navigational Satellite Systems and navigation services for public streets, indoor seems to be the next big development in navigational services, relying on RTLS – Real Time Locating Services (e.g. WIFI and allowing seamless navigation. In contrast to navigation and routing services on public streets, seamless navigation will cause an additional challenge: how to make routing data accessible to defined users or restrict access rights for defined areas or only to parts of the graph to a defined user group? The paper will present case studies and data from literature, where seamless and especially indoor navigation solutions are presented (hospitals, industrial complexes, building sites, but the problem of restricted access rights was only touched from a real world, but not a technical perspective. The analysis of case studies will show, that the objective of navigation and the different target groups for navigation solutions will demand well defined access rights and require solutions, how to make only parts of a graph to a user or application available to solve a navigational task. The paper will therefore introduce the concept of private graphs, which is defined as a graph for navigational purposes covering the street, road or floor network of an area behind a public street and suggest different approaches how to make graph data for navigational purposes available considering access rights and data protection, privacy and security issues as well.

Integer Flows and Circuit Covers of Graphs and Signed Graphs

Science.gov (United States)

Cheng, Jian

The work in Chapter 2 is motivated by Tutte and Jaeger's pioneering work on converting modulo flows into integer-valued flows for ordinary graphs. For a signed graphs (G, sigma), we first prove that for each k ∈ {2, 3}, if (G, sigma) is (k - 1)-edge-connected and contains an even number of negative edges when k = 2, then every modulo k-flow of (G, sigma) can be converted into an integer-valued ( k + 1)-ow with a larger or the same support. We also prove that if (G, sigma) is odd-(2p+1)-edge-connected, then (G, sigma) admits a modulo circular (2 + 1/ p)-flows if and only if it admits an integer-valued circular (2 + 1/p)-flows, which improves all previous result by Xu and Zhang (DM2005), Schubert and Steffen (EJC2015), and Zhu (JCTB2015). Shortest circuit cover conjecture is one of the major open problems in graph theory. It states that every bridgeless graph G contains a set of circuits F such that each edge is contained in at least one member of F and the length of F is at most 7/5∥E(G)∥. This concept was recently generalized to signed graphs by Macajova et al. (JGT2015). In Chapter 3, we improve their upper bound from 11∥E( G)∥ to 14/3 ∥E(G)∥, and if G is 2-edgeconnected and has even negativeness, then it can be further reduced to 11/3 ∥E(G)∥. Tutte's 3-flow conjecture has been studied by many graph theorists in the last several decades. As a new approach to this conjecture, DeVos and Thomassen considered the vectors as ow values and found that there is a close relation between vector S1-flows and integer 3-NZFs. Motivated by their observation, in Chapter 4, we prove that if a graph G admits a vector S1-flow with rank at most two, then G admits an integer 3-NZF. The concept of even factors is highly related to the famous Four Color Theorem. We conclude this dissertation in Chapter 5 with an improvement of a recent result by Chen and Fan (JCTB2016) on the upperbound of even factors. We show that if a graph G contains an even factor, then it

Port-Hamiltonian Systems on Open Graphs

NARCIS (Netherlands)

Schaft, A.J. van der; Maschke, B.M.

2010-01-01

In this talk we discuss how to define in an intrinsic manner port-Hamiltonian dynamics on open graphs. Open graphs are graphs where some of the vertices are boundary vertices (terminals), which allow interconnection with other systems. We show that a directed graph carries two natural Dirac

Towards a theory of geometric graphs

CERN Document Server

Pach, Janos

2004-01-01

The early development of graph theory was heavily motivated and influenced by topological and geometric themes, such as the Konigsberg Bridge Problem, Euler's Polyhedral Formula, or Kuratowski's characterization of planar graphs. In 1936, when Denes Konig published his classical Theory of Finite and Infinite Graphs, the first book ever written on the subject, he stressed this connection by adding the subtitle Combinatorial Topology of Systems of Segments. He wanted to emphasize that the subject of his investigations was very concrete: planar figures consisting of points connected by straight-line segments. However, in the second half of the twentieth century, graph theoretical research took an interesting turn. In the most popular and most rapidly growing areas (the theory of random graphs, Ramsey theory, extremal graph theory, algebraic graph theory, etc.), graphs were considered as abstract binary relations rather than geometric objects. Many of the powerful techniques developed in these fields have been su...

Quantum walk on a chimera graph

Science.gov (United States)

Xu, Shu; Sun, Xiangxiang; Wu, Jizhou; Zhang, Wei-Wei; Arshed, Nigum; Sanders, Barry C.

2018-05-01

We analyse a continuous-time quantum walk on a chimera graph, which is a graph of choice for designing quantum annealers, and we discover beautiful quantum walk features such as localization that starkly distinguishes classical from quantum behaviour. Motivated by technological thrusts, we study continuous-time quantum walk on enhanced variants of the chimera graph and on diminished chimera graph with a random removal of vertices. We explain the quantum walk by constructing a generating set for a suitable subgroup of graph isomorphisms and corresponding symmetry operators that commute with the quantum walk Hamiltonian; the Hamiltonian and these symmetry operators provide a complete set of labels for the spectrum and the stationary states. Our quantum walk characterization of the chimera graph and its variants yields valuable insights into graphs used for designing quantum-annealers.

Software for Graph Analysis and Visualization

Directory of Open Access Journals (Sweden)

M. I. Kolomeychenko

2014-01-01

Full Text Available This paper describes the software for graph storage, analysis and visualization. The article presents a comparative analysis of existing software for analysis and visualization of graphs, describes the overall architecture of application and basic principles of construction and operation of the main modules. Furthermore, a description of the developed graph storage oriented to storage and processing of large-scale graphs is presented. The developed algorithm for finding communities and implemented algorithms of autolayouts of graphs are the main functionality of the product. The main advantage of the developed software is high speed processing of large size networks (up to millions of nodes and links. Moreover, the proposed graph storage architecture is unique and has no analogues. The developed approaches and algorithms are optimized for operating with big graphs and have high productivity.

What Would a Graph Look Like in this Layout? A Machine Learning Approach to Large Graph Visualization.

Science.gov (United States)

Kwon, Oh-Hyun; Crnovrsanin, Tarik; Ma, Kwan-Liu

2018-01-01

Using different methods for laying out a graph can lead to very different visual appearances, with which the viewer perceives different information. Selecting a "good" layout method is thus important for visualizing a graph. The selection can be highly subjective and dependent on the given task. A common approach to selecting a good layout is to use aesthetic criteria and visual inspection. However, fully calculating various layouts and their associated aesthetic metrics is computationally expensive. In this paper, we present a machine learning approach to large graph visualization based on computing the topological similarity of graphs using graph kernels. For a given graph, our approach can show what the graph would look like in different layouts and estimate their corresponding aesthetic metrics. An important contribution of our work is the development of a new framework to design graph kernels. Our experimental study shows that our estimation calculation is considerably faster than computing the actual layouts and their aesthetic metrics. Also, our graph kernels outperform the state-of-the-art ones in both time and accuracy. In addition, we conducted a user study to demonstrate that the topological similarity computed with our graph kernel matches perceptual similarity assessed by human users.

Text-Filled Stacked Area Graphs

DEFF Research Database (Denmark)

Kraus, Martin

2011-01-01

-filled stacked area graphs; i.e., graphs that feature stacked areas that are filled with small-typed text. Since these graphs allow for computing the text layout automatically, it is possible to include large amounts of textual detail with very little effort. We discuss the most important challenges and some...... solutions for the design of text-filled stacked area graphs with the help of an exemplary visualization of the genres, publication years, and titles of a database of several thousand PC games....

On Graph Rewriting, Reduction and Evaluation

DEFF Research Database (Denmark)

Zerny, Ian

2010-01-01

We inter-derive two prototypical styles of graph reduction: reduction machines à la Turner and graph rewriting systems à la Barendregt et al. To this end, we adapt Danvy et al.'s mechanical program derivations from the world of terms to the world of graphs. We also outline how to inter-derive a t......We inter-derive two prototypical styles of graph reduction: reduction machines à la Turner and graph rewriting systems à la Barendregt et al. To this end, we adapt Danvy et al.'s mechanical program derivations from the world of terms to the world of graphs. We also outline how to inter...

Bayesian networks and food security - An introduction

NARCIS (Netherlands)

Stein, A.

2004-01-01

This paper gives an introduction to Bayesian networks. Networks are defined and put into a Bayesian context. Directed acyclical graphs play a crucial role here. Two simple examples from food security are addressed. Possible uses of Bayesian networks for implementation and further use in decision

Graph transformation tool contest 2008

NARCIS (Netherlands)

Rensink, Arend; van Gorp, Pieter

This special section is the outcome of the graph transformation tool contest organised during the Graph-Based Tools (GraBaTs) 2008 workshop, which took place as a satellite event of the International Conference on Graph Transformation (ICGT) 2008. The contest involved two parts: three “off-line case

On dominator colorings in graphs

Indian Academy of Sciences (India)

colors required for a dominator coloring of G is called the dominator .... Theorem 1.3 shows that the complete graph Kn is the only connected graph of order n ... Conversely, if a graph G satisfies condition (i) or (ii), it is easy to see that χd(G) =.

Graphs with branchwidth at most three

NARCIS (Netherlands)

Bodlaender, H.L.; Thilikos, D.M.

1997-01-01

In this paper we investigate both the structure of graphs with branchwidth at most three, as well as algorithms to recognise such graphs. We show that a graph has branchwidth at most three, if and only if it has treewidth at most three and does not contain the three-dimensional binary cube graph

Acyclic N-halamine-immobilized polyurethane: Preparation and antimicrobial and biofilm-controlling functions

Science.gov (United States)

Luo, Jie; Porteous, Nuala; Lin, Jiajin; Sun, Yuyu

2015-01-01

Hydroxyl groups were introduced onto polyurethane surfaces through 1,6-hexamethylene diisocyanate activation, followed by diethanolamine hydroxylation. Polymethacrylamide was covalently attached to the hydroxylated polyurethane through surface grafting polymerization of methacrylamide using cerium (IV) ammonium nitrate as an initiator. After bleach treatment, the amide groups of the covalently bound polymethacrylamide chains were transformed into N-halamines. The new N-halamine-immobilized polyurethane provided a total sacrifice of 107–108 colony forming units per milliliter of Staphylococcus aureus (Gram-positive bacteria), Escherichia coli (Gram-negative bacteria), and Candida albicans (fungi) within 10 min and successfully prevented bacterial and fungal biofilm formation. The antimicrobial and biofilm-controlling effects were both durable and rechargeable, pointing to great potentials of the new acyclic N-halamine-immobilized polyurethane for a broad range of related applications. PMID:26089593

Planar graphs theory and algorithms

CERN Document Server

Nishizeki, T

1988-01-01

Collected in this volume are most of the important theorems and algorithms currently known for planar graphs, together with constructive proofs for the theorems. Many of the algorithms are written in Pidgin PASCAL, and are the best-known ones; the complexities are linear or 0(nlogn). The first two chapters provide the foundations of graph theoretic notions and algorithmic techniques. The remaining chapters discuss the topics of planarity testing, embedding, drawing, vertex- or edge-coloring, maximum independence set, subgraph listing, planar separator theorem, Hamiltonian cycles, and single- or multicommodity flows. Suitable for a course on algorithms, graph theory, or planar graphs, the volume will also be useful for computer scientists and graph theorists at the research level. An extensive reference section is included.

Graph Quasicontinuous Functions and Densely Continuous Forms

Directory of Open Access Journals (Sweden)

Lubica Hola

2017-07-01

Full Text Available Let $X, Y$ be topological spaces. A function $f: X \\to Y$ is said to be graph quasicontinuous if there is a quasicontinuous function $g: X \\to Y$ with the graph of $g$ contained in the closure of the graph of $f$. There is a close relation between the notions of graph quasicontinuous functions and minimal usco maps as well as the notions of graph quasicontinuous functions and densely continuous forms. Every function with values in a compact Hausdorff space is graph quasicontinuous; more generally every locally compact function is graph quasicontinuous.

CORECLUSTER: A Degeneracy Based Graph Clustering Framework

OpenAIRE

Giatsidis , Christos; Malliaros , Fragkiskos; Thilikos , Dimitrios M. ,; Vazirgiannis , Michalis

2014-01-01

International audience; Graph clustering or community detection constitutes an important task forinvestigating the internal structure of graphs, with a plethora of applications in several domains. Traditional tools for graph clustering, such asspectral methods, typically suffer from high time and space complexity. In thisarticle, we present \\textsc{CoreCluster}, an efficient graph clusteringframework based on the concept of graph degeneracy, that can be used along withany known graph clusteri...

Coloring sums of extensions of certain graphs

Directory of Open Access Journals (Sweden)

Johan Kok

2017-12-01

Full Text Available We recall that the minimum number of colors that allow a proper coloring of graph $G$ is called the chromatic number of $G$ and denoted $\\chi(G$. Motivated by the introduction of the concept of the $b$-chromatic sum of a graph the concept of $\\chi'$-chromatic sum and $\\chi^+$-chromatic sum are introduced in this paper. The extended graph $G^x$ of a graph $G$ was recently introduced for certain regular graphs. This paper furthers the concepts of $\\chi'$-chromatic sum and $\\chi^+$-chromatic sum to extended paths and cycles. Bipartite graphs also receive some attention. The paper concludes with patterned structured graphs. These last said graphs are typically found in chemical and biological structures.

On a conjecture concerning helly circle graphs

Directory of Open Access Journals (Sweden)

Durán Guillermo

2003-01-01

Full Text Available We say that G is an e-circle graph if there is a bijection between its vertices and straight lines on the cartesian plane such that two vertices are adjacent in G if and only if the corresponding lines intersect inside the circle of radius one. This definition suggests a method for deciding whether a given graph G is an e-circle graph, by constructing a convenient system S of equations and inequations which represents the structure of G, in such a way that G is an e-circle graph if and only if S has a solution. In fact, e-circle graphs are exactly the circle graphs (intersection graphs of chords in a circle, and thus this method provides an analytic way for recognizing circle graphs. A graph G is a Helly circle graph if G is a circle graph and there exists a model of G by chords such that every three pairwise intersecting chords intersect at the same point. A conjecture by Durán (2000 states that G is a Helly circle graph if and only if G is a circle graph and contains no induced diamonds (a diamond is a graph formed by four vertices and five edges. Many unsuccessful efforts - mainly based on combinatorial and geometrical approaches - have been done in order to validate this conjecture. In this work, we utilize the ideas behind the definition of e-circle graphs and restate this conjecture in terms of an equivalence between two systems of equations and inequations, providing a new, analytic tool to deal with it.

Optimization Problems on Threshold Graphs

Directory of Open Access Journals (Sweden)

Elena Nechita

2010-06-01

Full Text Available During the last three decades, different types of decompositions have been processed in the field of graph theory. Among these we mention: decompositions based on the additivity of some characteristics of the graph, decompositions where the adjacency law between the subsets of the partition is known, decompositions where the subgraph induced by every subset of the partition must have predeterminate properties, as well as combinations of such decompositions. In this paper we characterize threshold graphs using the weakly decomposition, determine: density and stability number, Wiener index and Wiener polynomial for threshold graphs.

Hierarchy of modular graph identities

Energy Technology Data Exchange (ETDEWEB)

D’Hoker, Eric; Kaidi, Justin [Mani L. Bhaumik Institute for Theoretical Physics, Department of Physics and Astronomy,University of California,Los Angeles, CA 90095 (United States)

2016-11-09

The low energy expansion of Type II superstring amplitudes at genus one is organized in terms of modular graph functions associated with Feynman graphs of a conformal scalar field on the torus. In earlier work, surprising identities between two-loop graphs at all weights, and between higher-loop graphs of weights four and five were constructed. In the present paper, these results are generalized in two complementary directions. First, all identities at weight six and all dihedral identities at weight seven are obtained and proven. Whenever the Laurent polynomial at the cusp is available, the form of these identities confirms the pattern by which the vanishing of the Laurent polynomial governs the full modular identity. Second, the family of modular graph functions is extended to include all graphs with derivative couplings and worldsheet fermions. These extended families of modular graph functions are shown to obey a hierarchy of inhomogeneous Laplace eigenvalue equations. The eigenvalues are calculated analytically for the simplest infinite sub-families and obtained by Maple for successively more complicated sub-families. The spectrum is shown to consist solely of eigenvalues s(s−1) for positive integers s bounded by the weight, with multiplicities which exhibit rich representation-theoretic patterns.

Hierarchy of modular graph identities

International Nuclear Information System (INIS)

D’Hoker, Eric; Kaidi, Justin

2016-01-01

The low energy expansion of Type II superstring amplitudes at genus one is organized in terms of modular graph functions associated with Feynman graphs of a conformal scalar field on the torus. In earlier work, surprising identities between two-loop graphs at all weights, and between higher-loop graphs of weights four and five were constructed. In the present paper, these results are generalized in two complementary directions. First, all identities at weight six and all dihedral identities at weight seven are obtained and proven. Whenever the Laurent polynomial at the cusp is available, the form of these identities confirms the pattern by which the vanishing of the Laurent polynomial governs the full modular identity. Second, the family of modular graph functions is extended to include all graphs with derivative couplings and worldsheet fermions. These extended families of modular graph functions are shown to obey a hierarchy of inhomogeneous Laplace eigenvalue equations. The eigenvalues are calculated analytically for the simplest infinite sub-families and obtained by Maple for successively more complicated sub-families. The spectrum is shown to consist solely of eigenvalues s(s−1) for positive integers s bounded by the weight, with multiplicities which exhibit rich representation-theoretic patterns.

Well-covered graphs and factors

DEFF Research Database (Denmark)

Randerath, Bert; Vestergaard, Preben D.

2006-01-01

A maximum independent set of vertices in a graph is a set of pairwise nonadjacent vertices of largest cardinality α. Plummer defined a graph to be well-covered, if every independent set is contained in a maximum independent set of G. Every well-covered graph G without isolated vertices has a perf...

On the centrality of some graphs

Directory of Open Access Journals (Sweden)

Vecdi Aytac

2017-10-01

Full Text Available A central issue in the analysis of complex networks is the assessment of their stability and vulnerability. A variety of measures have been proposed in the literature to quantify the stability of networks and a number of graph-theoretic parameters have been used to derive formulas for calculating network reliability. Different measures for graph vulnerability have been introduced so far to study different aspects of the graph behavior after removal of vertices or links such as connectivity, toughness, scattering number, binding number, residual closeness and integrity. In this paper, we consider betweenness centrality of a graph. Betweenness centrality of a vertex of a graph is portion of the shortest paths all pairs of vertices passing through a given vertex. In this paper, we obtain exact values for betweenness centrality for some wheel related graphs namely gear, helm, sunflower and friendship graphs.

Bayes Academy - An Educational Game for Learning Bayesian Networks

OpenAIRE

Sotala, Kaj

2015-01-01

This thesis describes the development of 'Bayes Academy', an educational game which aims to teach an understanding of Bayesian networks. A Bayesian network is a directed acyclic graph describing a joint probability distribution function over n random variables, where each node in the graph represents a random variable. To find a way to turn this subject into an interesting game, this work draws on the theoretical background of meaningful play. Among other requirements, actions in the game...

Enabling Graph Appliance for Genome Assembly

Energy Technology Data Exchange (ETDEWEB)

Singh, Rina [ORNL; Graves, Jeffrey A [ORNL; Lee, Sangkeun (Matt) [ORNL; Sukumar, Sreenivas R [ORNL; Shankar, Mallikarjun [ORNL

2015-01-01

In recent years, there has been a huge growth in the amount of genomic data available as reads generated from various genome sequencers. The number of reads generated can be huge, ranging from hundreds to billions of nucleotide, each varying in size. Assembling such large amounts of data is one of the challenging computational problems for both biomedical and data scientists. Most of the genome assemblers developed have used de Bruijn graph techniques. A de Bruijn graph represents a collection of read sequences by billions of vertices and edges, which require large amounts of memory and computational power to store and process. This is the major drawback to de Bruijn graph assembly. Massively parallel, multi-threaded, shared memory systems can be leveraged to overcome some of these issues. The objective of our research is to investigate the feasibility and scalability issues of de Bruijn graph assembly on Cray s Urika-GD system; Urika-GD is a high performance graph appliance with a large shared memory and massively multithreaded custom processor designed for executing SPARQL queries over large-scale RDF data sets. However, to the best of our knowledge, there is no research on representing a de Bruijn graph as an RDF graph or finding Eulerian paths in RDF graphs using SPARQL for potential genome discovery. In this paper, we address the issues involved in representing a de Bruin graphs as RDF graphs and propose an iterative querying approach for finding Eulerian paths in large RDF graphs. We evaluate the performance of our implementation on real world ebola genome datasets and illustrate how genome assembly can be accomplished with Urika-GD using iterative SPARQL queries.

On 4-critical t-perfect graphs

OpenAIRE

Benchetrit, Yohann

2016-01-01

It is an open question whether the chromatic number of $t$-perfect graphs is bounded by a constant. The largest known value for this parameter is 4, and the only example of a 4-critical $t$-perfect graph, due to Laurent and Seymour, is the complement of the line graph of the prism $\\Pi$ (a graph is 4-critical if it has chromatic number 4 and all its proper induced subgraphs are 3-colorable). In this paper, we show a new example of a 4-critical $t$-perfect graph: the complement of the line gra...

Local adjacency metric dimension of sun graph and stacked book graph

Science.gov (United States)

Yulisda Badri, Alifiah; Darmaji

2018-03-01

A graph is a mathematical system consisting of a non-empty set of nodes and a set of empty sides. One of the topics to be studied in graph theory is the metric dimension. Application in the metric dimension is the navigation robot system on a path. Robot moves from one vertex to another vertex in the field by minimizing the errors that occur in translating the instructions (code) obtained from the vertices of that location. To move the robot must give different instructions (code). In order for the robot to move efficiently, the robot must be fast to translate the code of the nodes of the location it passes. so that the location vertex has a minimum distance. However, if the robot must move with the vertex location on a very large field, so the robot can not detect because the distance is too far.[6] In this case, the robot can determine its position by utilizing location vertices based on adjacency. The problem is to find the minimum cardinality of the required location vertex, and where to put, so that the robot can determine its location. The solution to this problem is the dimension of adjacency metric and adjacency metric bases. Rodrguez-Velzquez and Fernau combine the adjacency metric dimensions with local metric dimensions, thus becoming the local adjacency metric dimension. In the local adjacency metric dimension each vertex in the graph may have the same adjacency representation as the terms of the vertices. To obtain the local metric dimension of values in the graph of the Sun and the stacked book graph is used the construction method by considering the representation of each adjacent vertex of the graph.

Use of DAGMan in CRAB3 to Improve the Splitting of CMS User Jobs

Energy Technology Data Exchange (ETDEWEB)

Wolf, M. [Notre Dame U.; Mascheroni, M. [Fermilab; Woodard, A. [Notre Dame U.; Belforte, S. [INFN, Trieste; Bockelman, B. [Nebraska U.; Hernandez, J. M. [Madrid, CIEMAT; Vaandering, E. [Fermilab

2017-11-22

CRAB3 is a workload management tool used by CMS physicists to analyze data acquired by the Compact Muon Solenoid (CMS) detector at the CERN Large Hadron Collider (LHC). Research in high energy physics often requires the analysis of large collections of files, referred to as datasets. The task is divided into jobs that are distributed among a large collection of worker nodes throughout the Worldwide LHC Computing Grid (WLCG). Splitting a large analysis task into optimally sized jobs is critical to efficient use of distributed computing resources. Jobs that are too big will have excessive runtimes and will not distribute the work across all of the available nodes. However, splitting the project into a large number of very small jobs is also inefficient, as each job creates additional overhead which increases load on infrastructure resources. Currently this splitting is done manually, using parameters provided by the user. However the resources needed for each job are difficult to predict because of frequent variations in the performance of the user code and the content of the input dataset. As a result, dividing a task into jobs by hand is difficult and often suboptimal. In this work we present a new feature called “automatic splitting” which removes the need for users to manually specify job splitting parameters. We discuss how HTCondor DAGMan can be used to build dynamic Directed Acyclic Graphs (DAGs) to optimize the performance of large CMS analysis jobs on the Grid. We use DAGMan to dynamically generate interconnected DAGs that estimate the processing time the user code will require to analyze each event. This is used to calculate an estimate of the total processing time per job, and a set of analysis jobs are run using this estimate as a specified time limit. Some jobs may not finish within the alloted time; they are terminated at the time limit, and the unfinished data is regrouped into smaller jobs and resubmitted.

Use of DAGMan in CRAB3 to improve the splitting of CMS user jobs

Science.gov (United States)

Wolf, M.; Mascheroni, M.; Woodard, A.; Belforte, S.; Bockelman, B.; Hernandez, J. M.; Vaandering, E.

2017-10-01

CRAB3 is a workload management tool used by CMS physicists to analyze data acquired by the Compact Muon Solenoid (CMS) detector at the CERN Large Hadron Collider (LHC). Research in high energy physics often requires the analysis of large collections of files, referred to as datasets. The task is divided into jobs that are distributed among a large collection of worker nodes throughout the Worldwide LHC Computing Grid (WLCG). Splitting a large analysis task into optimally sized jobs is critical to efficient use of distributed computing resources. Jobs that are too big will have excessive runtimes and will not distribute the work across all of the available nodes. However, splitting the project into a large number of very small jobs is also inefficient, as each job creates additional overhead which increases load on infrastructure resources. Currently this splitting is done manually, using parameters provided by the user. However the resources needed for each job are difficult to predict because of frequent variations in the performance of the user code and the content of the input dataset. As a result, dividing a task into jobs by hand is difficult and often suboptimal. In this work we present a new feature called “automatic splitting” which removes the need for users to manually specify job splitting parameters. We discuss how HTCondor DAGMan can be used to build dynamic Directed Acyclic Graphs (DAGs) to optimize the performance of large CMS analysis jobs on the Grid. We use DAGMan to dynamically generate interconnected DAGs that estimate the processing time the user code will require to analyze each event. This is used to calculate an estimate of the total processing time per job, and a set of analysis jobs are run using this estimate as a specified time limit. Some jobs may not finish within the alloted time; they are terminated at the time limit, and the unfinished data is regrouped into smaller jobs and resubmitted.

Mechatronic modeling and simulation using bond graphs

CERN Document Server

Das, Shuvra

2009-01-01

Introduction to Mechatronics and System ModelingWhat Is Mechatronics?What Is a System and Why Model Systems?Mathematical Modeling Techniques Used in PracticeSoftwareBond Graphs: What Are They?Engineering SystemsPortsGeneralized VariablesBond GraphsBasic Components in SystemsA Brief Note about Bond Graph Power DirectionsSummary of Bond Direction RulesDrawing Bond Graphs for Simple Systems: Electrical and MechanicalSimplification Rules for Junction StructureDrawing Bond Graphs for Electrical SystemsDrawing Bond Graphs for Mechanical SystemsCausalityDrawing Bond Graphs for Hydraulic and Electronic Components and SystemsSome Basic Properties and Concepts for FluidsBond Graph Model of Hydraulic SystemsElectronic SystemsDeriving System Equations from Bond GraphsSystem VariablesDeriving System EquationsTackling Differential CausalityAlgebraic LoopsSolution of Model Equations and Their InterpretationZeroth Order SystemsFirst Order SystemsSecond Order SystemTransfer Functions and Frequency ResponsesNumerical Solution ...

Expert interpretation of bar and line graphs: The role of graphicacy in reducing the effect of graph format.

Directory of Open Access Journals (Sweden)

David ePeebles

2015-10-01

Full Text Available The distinction between informational and computational equivalence of representations, first articulated by Larkin and Simon (1987 has been a fundamental principle in the analysis of diagrammatic reasoning which has been supported empirically on numerous occasions. We present an experiment that investigates this principle in relation to the performance of expert graph users of 2 x 2 'interaction' bar and line graphs. The study sought to determine whether expert interpretation is affected by graph format in the same way that novice interpretations are. The findings revealed that, unlike novices - and contrary to the assumptions of several graph comprehension models - experts' performance was the same for both graph formats, with their interpretation of bar graphs being no worse than that for line graphs. We discuss the implications of the study for guidelines for presenting such data and for models of expert graph comprehension.

Proving termination of graph transformation systems using weighted type graphs over semirings

NARCIS (Netherlands)

Bruggink, H.J.S.; König, B.; Nolte, D.; Zantema, H.; Parisi-Presicce, F.; Westfechtel, B.

2015-01-01

We introduce techniques for proving uniform termination of graph transformation systems, based on matrix interpretations for string rewriting. We generalize this technique by adapting it to graph rewriting instead of string rewriting and by generalizing to ordered semirings. In this way we obtain a

DIMENSI METRIK GRAPH LOBSTER Ln (q;r

Directory of Open Access Journals (Sweden)

PANDE GDE DONY GUMILAR

2013-05-01

Full Text Available The metric dimension of connected graph G is the cardinality of minimum resolving set in graph G. In this research, we study how to find the metric dimension of lobster graph Ln (q;r. Lobster graph Ln (q;r is a regular lobster graph with vertices backbone on the main path, every backbone vertex is connected to q hand vertices and every hand vertex is connected to r finger vertices, with n, q, r element of N. We obtain the metric dimension of lobster graph L2 (1;1 is 1, the metric dimension of lobster graph L2 (1;1 for n > 2 is 2.

Summary: beyond fault trees to fault graphs

International Nuclear Information System (INIS)

Alesso, H.P.; Prassinos, P.; Smith, C.F.

1984-09-01

Fault Graphs are the natural evolutionary step over a traditional fault-tree model. A Fault Graph is a failure-oriented directed graph with logic connectives that allows cycles. We intentionally construct the Fault Graph to trace the piping and instrumentation drawing (P and ID) of the system, but with logical AND and OR conditions added. Then we evaluate the Fault Graph with computer codes based on graph-theoretic methods. Fault Graph computer codes are based on graph concepts, such as path set (a set of nodes traveled on a path from one node to another) and reachability (the complete set of all possible paths between any two nodes). These codes are used to find the cut-sets (any minimal set of component failures that will fail the system) and to evaluate the system reliability

Interactive Graph Layout of a Million Nodes

Directory of Open Access Journals (Sweden)

Peng Mi

2016-12-01

Full Text Available Sensemaking of large graphs, specifically those with millions of nodes, is a crucial task in many fields. Automatic graph layout algorithms, augmented with real-time human-in-the-loop interaction, can potentially support sensemaking of large graphs. However, designing interactive algorithms to achieve this is challenging. In this paper, we tackle the scalability problem of interactive layout of large graphs, and contribute a new GPU-based force-directed layout algorithm that exploits graph topology. This algorithm can interactively layout graphs with millions of nodes, and support real-time interaction to explore alternative graph layouts. Users can directly manipulate the layout of vertices in a force-directed fashion. The complexity of traditional repulsive force computation is reduced by approximating calculations based on the hierarchical structure of multi-level clustered graphs. We evaluate the algorithm performance, and demonstrate human-in-the-loop layout in two sensemaking case studies. Moreover, we summarize lessons learned for designing interactive large graph layout algorithms on the GPU.

Eulerian Graphs and Related Topics

CERN Document Server

Fleischner, Herbert

1990-01-01

The two volumes comprising Part 1 of this work embrace the theme of Eulerian trails and covering walks. They should appeal both to researchers and students, as they contain enough material for an undergraduate or graduate graph theory course which emphasizes Eulerian graphs, and thus can be read by any mathematician not yet familiar with graph theory. But they are also of interest to researchers in graph theory because they contain many recent results, some of which are only partial solutions to more general problems. A number of conjectures have been included as well. Various problems (such a

The One Universal Graph — a free and open graph database

Science.gov (United States)

Ng, Liang S.; Champion, Corbin

2016-02-01

Recent developments in graph database mostly are huge projects involving big organizations, big operations and big capital, as the name Big Data attests. We proposed the concept of One Universal Graph (OUG) which states that all observable and known objects and concepts (physical, conceptual or digitally represented) can be connected with only one single graph; furthermore the OUG can be implemented with a very simple text file format with free software, capable of being executed on Android or smaller devices. As such the One Universal Graph Data Exchange (GOUDEX) modules can potentially be installed on hundreds of millions of Android devices and Intel compatible computers shipped annually. Coupled with its open nature and ability to connect to existing leading search engines and databases currently in operation, GOUDEX has the potential to become the largest and a better interface for users and programmers to interact with the data on the Internet. With a Web User Interface for users to use and program in native Linux environment, Free Crowdware implemented in GOUDEX can help inexperienced users learn programming with better organized documentation for free software, and is able to manage programmer's contribution down to a single line of code or a single variable in software projects. It can become the first practically realizable “Internet brain” on which a global artificial intelligence system can be implemented. Being practically free and open, One Universal Graph can have significant applications in robotics, artificial intelligence as well as social networks.

Degree-based graph construction

International Nuclear Information System (INIS)

Kim, Hyunju; Toroczkai, Zoltan; Erdos, Peter L; Miklos, Istvan; Szekely, Laszlo A

2009-01-01

Degree-based graph construction is a ubiquitous problem in network modelling (Newman et al 2006 The Structure and Dynamics of Networks (Princeton Studies in Complexity) (Princeton, NJ: Princeton University Press), Boccaletti et al 2006 Phys. Rep. 424 175), ranging from social sciences to chemical compounds and biochemical reaction networks in the cell. This problem includes existence, enumeration, exhaustive construction and sampling questions with aspects that are still open today. Here we give necessary and sufficient conditions for a sequence of nonnegative integers to be realized as a simple graph's degree sequence, such that a given (but otherwise arbitrary) set of connections from an arbitrarily given node is avoided. We then use this result to present a swap-free algorithm that builds all simple graphs realizing a given degree sequence. In a wider context, we show that our result provides a greedy construction method to build all the f-factor subgraphs (Tutte 1952 Can. J. Math. 4 314) embedded within K n setmn S k , where K n is the complete graph and S k is a star graph centred on one of the nodes. (fast track communication)

Downhill Domination in Graphs

Directory of Open Access Journals (Sweden)

Haynes Teresa W.

2014-08-01

Full Text Available A path π = (v1, v2, . . . , vk+1 in a graph G = (V,E is a downhill path if for every i, 1 ≤ i ≤ k, deg(vi ≥ deg(vi+1, where deg(vi denotes the degree of vertex vi ∈ V. The downhill domination number equals the minimum cardinality of a set S ⊆ V having the property that every vertex v ∈ V lies on a downhill path originating from some vertex in S. We investigate downhill domination numbers of graphs and give upper bounds. In particular, we show that the downhill domination number of a graph is at most half its order, and that the downhill domination number of a tree is at most one third its order. We characterize the graphs obtaining each of these bounds

Subsampling for graph power spectrum estimation

KAUST Repository

Chepuri, Sundeep Prabhakar; Leus, Geert

2016-01-01

In this paper we focus on subsampling stationary random signals that reside on the vertices of undirected graphs. Second-order stationary graph signals are obtained by filtering white noise and they admit a well-defined power spectrum. Estimating the graph power spectrum forms a central component of stationary graph signal processing and related inference tasks. We show that by sampling a significantly smaller subset of vertices and using simple least squares, we can reconstruct the power spectrum of the graph signal from the subsampled observations, without any spectral priors. In addition, a near-optimal greedy algorithm is developed to design the subsampling scheme.

Proving relations between modular graph functions

International Nuclear Information System (INIS)

Basu, Anirban

2016-01-01

We consider modular graph functions that arise in the low energy expansion of the four graviton amplitude in type II string theory. The vertices of these graphs are the positions of insertions of vertex operators on the toroidal worldsheet, while the links are the scalar Green functions connecting the vertices. Graphs with four and five links satisfy several non-trivial relations, which have been proved recently. We prove these relations by using elementary properties of Green functions and the details of the graphs. We also prove a relation between modular graph functions with six links. (paper)

Subsampling for graph power spectrum estimation

KAUST Repository

Chepuri, Sundeep Prabhakar

2016-10-06

In this paper we focus on subsampling stationary random signals that reside on the vertices of undirected graphs. Second-order stationary graph signals are obtained by filtering white noise and they admit a well-defined power spectrum. Estimating the graph power spectrum forms a central component of stationary graph signal processing and related inference tasks. We show that by sampling a significantly smaller subset of vertices and using simple least squares, we can reconstruct the power spectrum of the graph signal from the subsampled observations, without any spectral priors. In addition, a near-optimal greedy algorithm is developed to design the subsampling scheme.

Semantic graphs and associative memories

Science.gov (United States)

Pomi, Andrés; Mizraji, Eduardo

2004-12-01

Graphs have been increasingly utilized in the characterization of complex networks from diverse origins, including different kinds of semantic networks. Human memories are associative and are known to support complex semantic nets; these nets are represented by graphs. However, it is not known how the brain can sustain these semantic graphs. The vision of cognitive brain activities, shown by modern functional imaging techniques, assigns renewed value to classical distributed associative memory models. Here we show that these neural network models, also known as correlation matrix memories, naturally support a graph representation of the stored semantic structure. We demonstrate that the adjacency matrix of this graph of associations is just the memory coded with the standard basis of the concept vector space, and that the spectrum of the graph is a code invariant of the memory. As long as the assumptions of the model remain valid this result provides a practical method to predict and modify the evolution of the cognitive dynamics. Also, it could provide us with a way to comprehend how individual brains that map the external reality, almost surely with different particular vector representations, are nevertheless able to communicate and share a common knowledge of the world. We finish presenting adaptive association graphs, an extension of the model that makes use of the tensor product, which provides a solution to the known problem of branching in semantic nets.

RNA graph partitioning for the discovery of RNA modularity: a novel application of graph partition algorithm to biology.

Directory of Open Access Journals (Sweden)

Namhee Kim

Full Text Available Graph representations have been widely used to analyze and design various economic, social, military, political, and biological networks. In systems biology, networks of cells and organs are useful for understanding disease and medical treatments and, in structural biology, structures of molecules can be described, including RNA structures. In our RNA-As-Graphs (RAG framework, we represent RNA structures as tree graphs by translating unpaired regions into vertices and helices into edges. Here we explore the modularity of RNA structures by applying graph partitioning known in graph theory to divide an RNA graph into subgraphs. To our knowledge, this is the first application of graph partitioning to biology, and the results suggest a systematic approach for modular design in general. The graph partitioning algorithms utilize mathematical properties of the Laplacian eigenvector (µ2 corresponding to the second eigenvalues (λ2 associated with the topology matrix defining the graph: λ2 describes the overall topology, and the sum of µ2's components is zero. The three types of algorithms, termed median, sign, and gap cuts, divide a graph by determining nodes of cut by median, zero, and largest gap of µ2's components, respectively. We apply these algorithms to 45 graphs corresponding to all solved RNA structures up through 11 vertices (∼ 220 nucleotides. While we observe that the median cut divides a graph into two similar-sized subgraphs, the sign and gap cuts partition a graph into two topologically-distinct subgraphs. We find that the gap cut produces the best biologically-relevant partitioning for RNA because it divides RNAs at less stable connections while maintaining junctions intact. The iterative gap cuts suggest basic modules and assembly protocols to design large RNA structures. Our graph substructuring thus suggests a systematic approach to explore the modularity of biological networks. In our applications to RNA structures, subgraphs

A generalization of total graphs

Indian Academy of Sciences (India)

M Afkhami

2018-04-12

Apr 12, 2018 ... product of any lower triangular matrix with the transpose of any element of U belongs to U. The ... total graph of R, which is denoted by T( (R)), is a simple graph with all elements of R as vertices, and ...... [9] Badawi A, On dot-product graph of a commutative ring, Communications in Algebra 43 (2015). 43–50.

Decomposing a planar graph into an independent set and a 3-degenerate graph

DEFF Research Database (Denmark)

Thomassen, Carsten

2001-01-01

We prove the conjecture made by O. V. Borodin in 1976 that the vertex set of every planar graph can be decomposed into an independent set and a set inducing a 3-degenerate graph. (C) 2001 Academic Press....

Commuting graphs of matrix algebras

International Nuclear Information System (INIS)

Akbari, S.; Bidkhori, H.; Mohammadian, A.

2006-08-01

The commuting graph of a ring R, denoted by Γ(R), is a graph whose vertices are all non- central elements of R and two distinct vertices x and y are adjacent if and only if xy = yx. The commuting graph of a group G, denoted by Γ(G), is similarly defined. In this paper we investigate some graph theoretic properties of Γ(M n (F)), where F is a field and n ≥ 2. Also we study the commuting graphs of some classical groups such as GL n (F) and SL n (F). We show that Γ(M n (F)) is a connected graph if and only if every field extension of F of degree n contains a proper intermediate field. We prove that apart from finitely many fields, a similar result is true for Γ(GL n (F)) and Γ(SL n (F)). Also we show that for two fields E and F and integers m, n ≥> 2, if Γ(M m (E)) ≅ Γ(M n (F)), then m = n and vertical bar E vertical bar = vertical bar F vertical bar. (author)

Graph-theoretical concepts and physicochemical data

Directory of Open Access Journals (Sweden)

Lionello Pogliani

2003-02-01

Full Text Available Graph theoretical concepts have been used to model the molecular polarizabilities of fifty-four organic derivatives, and the induced dipole moment of a set of fifty-seven organic compounds divided into three subsets. The starting point of these modeling strategies is the hydrogen-suppressed chemical graph and pseudograph of a molecule, which works very well for second row atoms. From these types of graphs a set of graph-theoretical basis indices, the molecular connectivity indices, can be derived and used to model properties and activities of molecules. With the aid of the molecular connectivity basis indices it is then possible to build higher-order descriptors. The problem of 'graph' encoding the contribution of the inner-core electrons of heteroatoms can here be solved with the aid of odd complete graphs, Kp-(p-odd. The use of these graph tools allow to draw an optimal modeling of the molecular polarizabilities and a satisfactory modeling of the induced dipole moment of a wide set of organic derivatives.

Graphs whose complement and square are isomorphic

DEFF Research Database (Denmark)

Pedersen, Anders Sune

2014-01-01

We study square-complementary graphs, that is, graphs whose complement and square are isomorphic. We prove several necessary conditions for a graph to be square-complementary, describe ways of building new square-complementary graphs from existing ones, construct infinite families of square-compl...

Graphs & digraphs

CERN Document Server

Chartrand, Gary; Zhang, Ping

2010-01-01

Gary Chartrand has influenced the world of Graph Theory for almost half a century. He has supervised more than a score of Ph.D. dissertations and written several books on the subject. The most widely known of these texts, Graphs and Digraphs, … has much to recommend it, with clear exposition, and numerous challenging examples [that] make it an ideal textbook for the advanced undergraduate or beginning graduate course. The authors have updated their notation to reflect the current practice in this still-growing area of study. By the authors' estimation, the 5th edition is approximately 50% longer than the 4th edition. … the legendary Frank Harary, author of the second graph theory text ever produced, is one of the figures profiled. His book was the standard in the discipline for several decades. Chartrand, Lesniak and Zhang have produced a worthy successor.-John T. Saccoman, MAA Reviews, June 2012 (This book is in the MAA's basic library list.)As with the earlier editions, the current text emphasizes clear...

Packing Degenerate Graphs Greedily

Czech Academy of Sciences Publication Activity Database

Allen, P.; Böttcher, J.; Hladký, J.; Piguet, Diana

2017-01-01

Roč. 61, August (2017), s. 45-51 ISSN 1571-0653 R&D Projects: GA ČR GJ16-07822Y Institutional support: RVO:67985807 Keywords : tree packing conjecture * graph packing * graph processes Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics

Continuous-time quantum walks on star graphs

International Nuclear Information System (INIS)

Salimi, S.

2009-01-01

In this paper, we investigate continuous-time quantum walk on star graphs. It is shown that quantum central limit theorem for a continuous-time quantum walk on star graphs for N-fold star power graph, which are invariant under the quantum component of adjacency matrix, converges to continuous-time quantum walk on K 2 graphs (complete graph with two vertices) and the probability of observing walk tends to the uniform distribution.

Tailored Random Graph Ensembles

International Nuclear Information System (INIS)

Roberts, E S; Annibale, A; Coolen, A C C

2013-01-01

Tailored graph ensembles are a developing bridge between biological networks and statistical mechanics. The aim is to use this concept to generate a suite of rigorous tools that can be used to quantify and compare the topology of cellular signalling networks, such as protein-protein interaction networks and gene regulation networks. We calculate exact and explicit formulae for the leading orders in the system size of the Shannon entropies of random graph ensembles constrained with degree distribution and degree-degree correlation. We also construct an ergodic detailed balance Markov chain with non-trivial acceptance probabilities which converges to a strictly uniform measure and is based on edge swaps that conserve all degrees. The acceptance probabilities can be generalized to define Markov chains that target any alternative desired measure on the space of directed or undirected graphs, in order to generate graphs with more sophisticated topological features.

The Smallest Valid Extension-Based Efficient, Rare Graph Pattern Mining, Considering Length-Decreasing Support Constraints and Symmetry Characteristics of Graphs

Directory of Open Access Journals (Sweden)

Unil Yun

2016-05-01

Full Text Available Frequent graph mining has been proposed to find interesting patterns (i.e., frequent sub-graphs from databases composed of graph transaction data, which can effectively express complex and large data in the real world. In addition, various applications for graph mining have been suggested. Traditional graph pattern mining methods use a single minimum support threshold factor in order to check whether or not mined patterns are interesting. However, it is not a sufficient factor that can consider valuable characteristics of graphs such as graph sizes and features of graph elements. That is, previous methods cannot consider such important characteristics in their mining operations since they only use a fixed minimum support threshold in the mining process. For this reason, in this paper, we propose a novel graph mining algorithm that can consider various multiple, minimum support constraints according to the types of graph elements and changeable minimum support conditions, depending on lengths of graph patterns. In addition, the proposed algorithm performs in mining operations more efficiently because it can minimize duplicated operations and computational overheads by considering symmetry features of graphs. Experimental results provided in this paper demonstrate that the proposed algorithm outperforms previous mining approaches in terms of pattern generation, runtime and memory usage.

Relating zeta functions of discrete and quantum graphs

Science.gov (United States)

Harrison, Jonathan; Weyand, Tracy

2018-02-01

We write the spectral zeta function of the Laplace operator on an equilateral metric graph in terms of the spectral zeta function of the normalized Laplace operator on the corresponding discrete graph. To do this, we apply a relation between the spectrum of the Laplacian on a discrete graph and that of the Laplacian on an equilateral metric graph. As a by-product, we determine how the multiplicity of eigenvalues of the quantum graph, that are also in the spectrum of the graph with Dirichlet conditions at the vertices, depends on the graph geometry. Finally we apply the result to calculate the vacuum energy and spectral determinant of a complete bipartite graph and compare our results with those for a star graph, a graph in which all vertices are connected to a central vertex by a single edge.

The One Universal Graph — a free and open graph database

International Nuclear Information System (INIS)

Ng, Liang S.; Champion, Corbin

2016-01-01

Recent developments in graph database mostly are huge projects involving big organizations, big operations and big capital, as the name Big Data attests. We proposed the concept of One Universal Graph (OUG) which states that all observable and known objects and concepts (physical, conceptual or digitally represented) can be connected with only one single graph; furthermore the OUG can be implemented with a very simple text file format with free software, capable of being executed on Android or smaller devices. As such the One Universal Graph Data Exchange (GOUDEX) modules can potentially be installed on hundreds of millions of Android devices and Intel compatible computers shipped annually. Coupled with its open nature and ability to connect to existing leading search engines and databases currently in operation, GOUDEX has the potential to become the largest and a better interface for users and programmers to interact with the data on the Internet. With a Web User Interface for users to use and program in native Linux environment, Free Crowdware implemented in GOUDEX can help inexperienced users learn programming with better organized documentation for free software, and is able to manage programmer's contribution down to a single line of code or a single variable in software projects. It can become the first practically realizable “Internet brain” on which a global artificial intelligence system can be implemented. Being practically free and open, One Universal Graph can have significant applications in robotics, artificial intelligence as well as social networks. (paper)

Recognition of fractal graphs

NARCIS (Netherlands)

Perepelitsa, VA; Sergienko, [No Value; Kochkarov, AM

1999-01-01

Definitions of prefractal and fractal graphs are introduced, and they are used to formulate mathematical models in different fields of knowledge. The topicality of fractal-graph recognition from the point of view, of fundamental improvement in the efficiency of the solution of algorithmic problems

Interactive Graph Layout of a Million Nodes

OpenAIRE

Peng Mi; Maoyuan Sun; Moeti Masiane; Yong Cao; Chris North

2016-01-01

Sensemaking of large graphs, specifically those with millions of nodes, is a crucial task in many fields. Automatic graph layout algorithms, augmented with real-time human-in-the-loop interaction, can potentially support sensemaking of large graphs. However, designing interactive algorithms to achieve this is challenging. In this paper, we tackle the scalability problem of interactive layout of large graphs, and contribute a new GPU-based force-directed layout algorithm that exploits graph to...

RATGRAPH: Computer Graphing of Rational Functions.

Science.gov (United States)

Minch, Bradley A.

1987-01-01

Presents an easy-to-use Applesoft BASIC program that graphs rational functions and any asymptotes that the functions might have. Discusses the nature of rational functions, graphing them manually, employing a computer to graph rational functions, and describes how the program works. (TW)

Graph algorithms in the titan toolkit.

Energy Technology Data Exchange (ETDEWEB)

McLendon, William Clarence, III; Wylie, Brian Neil

2009-10-01

Graph algorithms are a key component in a wide variety of intelligence analysis activities. The Graph-Based Informatics for Non-Proliferation and Counter-Terrorism project addresses the critical need of making these graph algorithms accessible to Sandia analysts in a manner that is both intuitive and effective. Specifically we describe the design and implementation of an open source toolkit for doing graph analysis, informatics, and visualization that provides Sandia with novel analysis capability for non-proliferation and counter-terrorism.

A Graph Calculus for Predicate Logic

Directory of Open Access Journals (Sweden)

Paulo A. S. Veloso

2013-03-01

Full Text Available We introduce a refutation graph calculus for classical first-order predicate logic, which is an extension of previous ones for binary relations. One reduces logical consequence to establishing that a constructed graph has empty extension, i. e. it represents bottom. Our calculus establishes that a graph has empty extension by converting it to a normal form, which is expanded to other graphs until we can recognize conflicting situations (equivalent to a formula and its negation.

Deep Learning with Dynamic Computation Graphs

OpenAIRE

Looks, Moshe; Herreshoff, Marcello; Hutchins, DeLesley; Norvig, Peter

2017-01-01

Neural networks that compute over graph structures are a natural fit for problems in a variety of domains, including natural language (parse trees) and cheminformatics (molecular graphs). However, since the computation graph has a different shape and size for every input, such networks do not directly support batched training or inference. They are also difficult to implement in popular deep learning libraries, which are based on static data-flow graphs. We introduce a technique called dynami...

Constructs for Programming with Graph Rewrites

OpenAIRE

Rodgers, Peter

2000-01-01

Graph rewriting is becoming increasingly popular as a method for programming with graph based data structures. We present several modifications to a basic serial graph rewriting paradigm and discuss how they improve coding programs in the Grrr graph rewriting programming language. The constructs we present are once only nodes, attractor nodes and single match rewrites. We illustrate the operation of the constructs by example. The advantages of adding these new rewrite modifiers is to reduce t...

Quantum chaos on discrete graphs

International Nuclear Information System (INIS)

Smilansky, Uzy

2007-01-01

Adapting a method developed for the study of quantum chaos on quantum (metric) graphs (Kottos and Smilansky 1997 Phys. Rev. Lett. 79 4794, Kottos and Smilansky 1999 Ann. Phys., NY 274 76), spectral ζ functions and trace formulae for discrete Laplacians on graphs are derived. This is achieved by expressing the spectral secular equation in terms of the periodic orbits of the graph and obtaining functions which belong to the class of ζ functions proposed originally by Ihara (1966 J. Mat. Soc. Japan 18 219) and expanded by subsequent authors (Stark and Terras 1996 Adv. Math. 121 124, Kotani and Sunada 2000 J. Math. Sci. Univ. Tokyo 7 7). Finally, a model of 'classical dynamics' on the discrete graph is proposed. It is analogous to the corresponding classical dynamics derived for quantum graphs (Kottos and Smilansky 1997 Phys. Rev. Lett. 79 4794, Kottos and Smilansky 1999 Ann. Phys., NY 274 76). (fast track communication)

RJSplot: Interactive Graphs with R.

Science.gov (United States)

Barrios, David; Prieto, Carlos

2018-03-01

Data visualization techniques provide new methods for the generation of interactive graphs. These graphs allow a better exploration and interpretation of data but their creation requires advanced knowledge of graphical libraries. Recent packages have enabled the integration of interactive graphs in R. However, R provides limited graphical packages that allow the generation of interactive graphs for computational biology applications. The present project has joined the analytical power of R with the interactive graphical features of JavaScript in a new R package (RJSplot). It enables the easy generation of interactive graphs in R, provides new visualization capabilities, and contributes to the advance of computational biology analytical methods. At present, 16 interactive graphics are available in RJSplot, such as the genome viewer, Manhattan plots, 3D plots, heatmaps, dendrograms, networks, and so on. The RJSplot package is freely available online at http://rjsplot.net. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bipartite separability and nonlocal quantum operations on graphs

Science.gov (United States)

Dutta, Supriyo; Adhikari, Bibhas; Banerjee, Subhashish; Srikanth, R.

2016-07-01

In this paper we consider the separability problem for bipartite quantum states arising from graphs. Earlier it was proved that the degree criterion is the graph-theoretic counterpart of the familiar positive partial transpose criterion for separability, although there are entangled states with positive partial transpose for which the degree criterion fails. Here we introduce the concept of partially symmetric graphs and degree symmetric graphs by using the well-known concept of partial transposition of a graph and degree criteria, respectively. Thus, we provide classes of bipartite separable states of dimension m ×n arising from partially symmetric graphs. We identify partially asymmetric graphs that lack the property of partial symmetry. We develop a combinatorial procedure to create a partially asymmetric graph from a given partially symmetric graph. We show that this combinatorial operation can act as an entanglement generator for mixed states arising from partially symmetric graphs.

Algorithms and Data Structures for Graphs

DEFF Research Database (Denmark)

Rotenberg, Eva

are planar graphs, which are those that can be drawn on a piece of paper without any pair of edges crossing. For planar graphs where each edge can only be traversed in one direction, a fundamental question is whether there is a route from vertex A to vertex B in the graph. We show how such a graph can...... of the form: "Is there an edge such that all paths between A and B go via that edge?" and which can quickly be updated when edges are inserted or deleted. We further show how to represent a planar graph such that we can quickly update our representation when an edge is deleted, and such that questions...

On the nullity number of graphs

Directory of Open Access Journals (Sweden)

Mustapha Aouchiche

2017-10-01

Full Text Available The paper discusses bounds on the nullity number of graphs. It is proved in [B. Cheng and B. Liu, On the nullity of graphs. Electron. J. Linear Algebra 16 (2007 60--67] that $\\eta \\le n - D$, where $\\eta$, n and D denote the nullity number, the order and the diameter of a connected graph, respectively. We first give a necessary condition on the extremal graphs corresponding to that bound, and then we strengthen the bound itself using the maximum clique number. In addition, we prove bounds on the nullity using the number of pendant neighbors in a graph. One of those bounds is an improvement of a known bound involving the domination number.

Graph Transforming Java Data

NARCIS (Netherlands)

de Mol, M.J.; Rensink, Arend; Hunt, James J.

This paper introduces an approach for adding graph transformation-based functionality to existing JAVA programs. The approach relies on a set of annotations to identify the intended graph structure, as well as on user methods to manipulate that structure, within the user’s own JAVA class

Graph processing platforms at scale: practices and experiences

Energy Technology Data Exchange (ETDEWEB)

Lim, Seung-Hwan [ORNL; Lee, Sangkeun (Matt) [ORNL; Brown, Tyler C [ORNL; Sukumar, Sreenivas R [ORNL; Ganesh, Gautam [ORNL

2015-01-01

Graph analysis unveils hidden associations of data in many phenomena and artifacts, such as road network, social networks, genomic information, and scientific collaboration. Unfortunately, a wide diversity in the characteristics of graphs and graph operations make it challenging to find a right combination of tools and implementation of algorithms to discover desired knowledge from the target data set. This study presents an extensive empirical study of three representative graph processing platforms: Pegasus, GraphX, and Urika. Each system represents a combination of options in data model, processing paradigm, and infrastructure. We benchmarked each platform using three popular graph operations, degree distribution, connected components, and PageRank over a variety of real-world graphs. Our experiments show that each graph processing platform shows different strength, depending the type of graph operations. While Urika performs the best in non-iterative operations like degree distribution, GraphX outputforms iterative operations like connected components and PageRank. In addition, we discuss challenges to optimize the performance of each platform over large scale real world graphs.

Generalized hypercube graph $\\Q_n(S$, graph products and self-orthogonal codes

Directory of Open Access Journals (Sweden)

Pani Seneviratne

2016-01-01

Full Text Available A generalized hypercube graph $\\Q_n(S$ has $\\F_{2}^{n}=\\{0,1\\}^n$ as the vertex set and two vertices being adjacent whenever their mutual Hamming distance belongs to $S$, where $n \\ge 1$ and $S\\subseteq \\{1,2,\\ldots, n\\}$. The graph $\\Q_n(\\{1\\}$ is the $n$-cube, usually denoted by $\\Q_n$.We study graph boolean products $G_1 = \\Q_n(S\\times \\Q_1, G_2 = \\Q_{n}(S\\wedge \\Q_1$, $G_3 = \\Q_{n}(S[\\Q_1]$ and show that binary codes from neighborhood designs of $G_1, G_2$ and $G_3$ are self-orthogonal for all choices of $n$ and $S$. More over, we show that the class of codes $C_1$ are self-dual. Further we find subgroups of the automorphism group of these graphs and use these subgroups to obtain PD-sets for permutation decoding. As an example we find a full error-correcting PD set for the binary $[32, 16, 8]$ extremal self-dual code.

Survey of Approaches to Generate Realistic Synthetic Graphs

Energy Technology Data Exchange (ETDEWEB)

Lim, Seung-Hwan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Lee, Sangkeun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Powers, Sarah S [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Shankar, Mallikarjun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Imam, Neena [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2016-10-01

A graph is a flexible data structure that can represent relationships between entities. As with other data analysis tasks, the use of realistic graphs is critical to obtaining valid research results. Unfortunately, using the actual ("real-world") graphs for research and new algorithm development is difficult due to the presence of sensitive information in the data or due to the scale of data. This results in practitioners developing algorithms and systems that employ synthetic graphs instead of real-world graphs. Generating realistic synthetic graphs that provide reliable statistical confidence to algorithmic analysis and system evaluation involves addressing technical hurdles in a broad set of areas. This report surveys the state of the art in approaches to generate realistic graphs that are derived from fitted graph models on real-world graphs.

Antiviral activities of 2,6-diaminopurine-based acyclic nucleoside phosphonates against herpesviruses: In vitro study results with pseudorabies virus (PrV, SuHV-1)

Czech Academy of Sciences Publication Activity Database

Zouharová, D.; Lipenská, I.; Fojtiková, M.; Kulich, P.; Neca, J.; Slaný, M.; Kovařčík, K.; Turanek-Knotigová, P.; Hubatka, F.; Celechovská, H.; Mašek, J.; Koudelka, Š.; Procházka, L.; Eyer, L.; Plocková, J.; Bartheldyová, E.; Miller, A. D.; Růžek, Daniel; Raška, M.; Janeba, Zlatko; Turánek, J.

2016-01-01

Roč. 184, FEB 29 (2016), s. 84-93 ISSN 0378-1135 Institutional support: RVO:60077344 ; RVO:61388963 Keywords : Pseudorabies * Acyclic nucleoside phosphonates * DNA viruses * Cidofovir * Antiviral drugs * DNA polymerase Subject RIV: EE - Microbiology, Virology; CC - Organic Chemistry (UOCHB-X) Impact factor: 2.628, year: 2016

Constructing Dense Graphs with Unique Hamiltonian Cycles

Science.gov (United States)

Lynch, Mark A. M.

2012-01-01

It is not difficult to construct dense graphs containing Hamiltonian cycles, but it is difficult to generate dense graphs that are guaranteed to contain a unique Hamiltonian cycle. This article presents an algorithm for generating arbitrarily large simple graphs containing "unique" Hamiltonian cycles. These graphs can be turned into dense graphs…

The effect of maturation on the configurations of acyclic isoprenoid acids in sediments

Science.gov (United States)

Mackenzie, A. S.; Patience, R. L.; Yon, D. A.; Maxwell, J. R.

1982-05-01

Within a variety of sedimentary rocks of differing maturity, the configurations of a suite of acyclic isoprenoid acids have been examined by gas Chromatographic (in a few cases also by combined gas chromatography-mass spectrometry) analysis of their diastereoisomeric methyl and (-)-menthyl esters. The samples include the Eocene Messel (Germany) and Green River (U.S.) shales, the Permian Irati shale (Brazil) and a number of Lower Toarcian shales from the Paris Basin. The isomer distributions show that isomerisation occurs at the chiral centres with increasing maturation (to increase the number of isomers) and that the rate of isomerisation increases for centres (C-2,C-3) closest to the carboxyl group. These results suggest that adsorption of the carboxyl group to a catalyst surface may control the isomerisation rates by way of access to the catalyst.

Chromatic polynomials of random graphs

International Nuclear Information System (INIS)

Van Bussel, Frank; Fliegner, Denny; Timme, Marc; Ehrlich, Christoph; Stolzenberg, Sebastian

2010-01-01

Chromatic polynomials and related graph invariants are central objects in both graph theory and statistical physics. Computational difficulties, however, have so far restricted studies of such polynomials to graphs that were either very small, very sparse or highly structured. Recent algorithmic advances (Timme et al 2009 New J. Phys. 11 023001) now make it possible to compute chromatic polynomials for moderately sized graphs of arbitrary structure and number of edges. Here we present chromatic polynomials of ensembles of random graphs with up to 30 vertices, over the entire range of edge density. We specifically focus on the locations of the zeros of the polynomial in the complex plane. The results indicate that the chromatic zeros of random graphs have a very consistent layout. In particular, the crossing point, the point at which the chromatic zeros with non-zero imaginary part approach the real axis, scales linearly with the average degree over most of the density range. While the scaling laws obtained are purely empirical, if they continue to hold in general there are significant implications: the crossing points of chromatic zeros in the thermodynamic limit separate systems with zero ground state entropy from systems with positive ground state entropy, the latter an exception to the third law of thermodynamics.

On some labelings of triangular snake and central graph of triangular snake graph

Science.gov (United States)

Agasthi, P.; Parvathi, N.

2018-04-01

A Triangular snake Tn is obtained from a path u 1 u 2 … u n by joining ui and u i+1 to a new vertex wi for 1≤i≤n‑1. A Central graph of Triangular snake C(T n ) is obtained by subdividing each edge of Tn exactly once and joining all the non adjacent vertices of Tn . In this paper the ways to construct square sum, square difference, Root Mean square, strongly Multiplicative, Even Mean and Odd Mean labeling for Triangular Snake and Central graph of Triangular Snake graphs are reported.

Orientations of infinite graphs with prescribed edge-connectivity

DEFF Research Database (Denmark)

Thomassen, Carsten

2016-01-01

We prove a decomposition result for locally finite graphs which can be used to extend results on edge-connectivity from finite to infinite graphs. It implies that every 4k-edge-connected graph G contains an immersion of some finite 2k-edge-connected Eulerian graph containing any prescribed vertex...... set (while planar graphs show that G need not containa subdivision of a simple finite graph of large edge-connectivity). Also, every 8k-edge connected infinite graph has a k-arc-connected orientation, as conjectured in 1989....

Genus Ranges of 4-Regular Rigid Vertex Graphs.

Science.gov (United States)

Buck, Dorothy; Dolzhenko, Egor; Jonoska, Nataša; Saito, Masahico; Valencia, Karin

2015-01-01

A rigid vertex of a graph is one that has a prescribed cyclic order of its incident edges. We study orientable genus ranges of 4-regular rigid vertex graphs. The (orientable) genus range is a set of genera values over all orientable surfaces into which a graph is embedded cellularly, and the embeddings of rigid vertex graphs are required to preserve the prescribed cyclic order of incident edges at every vertex. The genus ranges of 4-regular rigid vertex graphs are sets of consecutive integers, and we address two questions: which intervals of integers appear as genus ranges of such graphs, and what types of graphs realize a given genus range. For graphs with 2 n vertices ( n > 1), we prove that all intervals [ a, b ] for all a genus ranges. For graphs with 2 n - 1 vertices ( n ≥ 1), we prove that all intervals [ a, b ] for all a genus ranges. We also provide constructions of graphs that realize these ranges.

A new cluster algorithm for graphs

NARCIS (Netherlands)

S. van Dongen

1998-01-01

textabstractA new cluster algorithm for graphs called the emph{Markov Cluster algorithm ($MCL$ algorithm) is introduced. The graphs may be both weighted (with nonnegative weight) and directed. Let~$G$~be such a graph. The $MCL$ algorithm simulates flow in $G$ by first identifying $G$ in a

Chemical Graph Transformation with Stereo-Information

DEFF Research Database (Denmark)

Andersen, Jakob Lykke; Flamm, Christoph; Merkle, Daniel

2017-01-01

Double Pushout graph transformation naturally facilitates the modelling of chemical reactions: labelled undirected graphs model molecules and direct derivations model chemical reactions. However, the most straightforward modelling approach ignores the relative placement of atoms and their neighbo......Double Pushout graph transformation naturally facilitates the modelling of chemical reactions: labelled undirected graphs model molecules and direct derivations model chemical reactions. However, the most straightforward modelling approach ignores the relative placement of atoms...... and their neighbours in space. Stereoisomers of chemical compounds thus cannot be distinguished, even though their chemical activity may differ substantially. In this contribution we propose an extended chemical graph transformation system with attributes that encode information about local geometry. The modelling...... of graph transformation, but we here propose a framework that also allows for partially specified stereoinformation. While there are several stereochemical configurations to be considered, we focus here on the tetrahedral molecular shape, and suggest general principles for how to treat all other chemically...

Large-Scale Graph Processing Using Apache Giraph

KAUST Repository

Sakr, Sherif

2017-01-07

This book takes its reader on a journey through Apache Giraph, a popular distributed graph processing platform designed to bring the power of big data processing to graph data. Designed as a step-by-step self-study guide for everyone interested in large-scale graph processing, it describes the fundamental abstractions of the system, its programming models and various techniques for using the system to process graph data at scale, including the implementation of several popular and advanced graph analytics algorithms.

Large-Scale Graph Processing Using Apache Giraph

KAUST Repository

Sakr, Sherif; Orakzai, Faisal Moeen; Abdelaziz, Ibrahim; Khayyat, Zuhair

2017-01-01

This book takes its reader on a journey through Apache Giraph, a popular distributed graph processing platform designed to bring the power of big data processing to graph data. Designed as a step-by-step self-study guide for everyone interested in large-scale graph processing, it describes the fundamental abstractions of the system, its programming models and various techniques for using the system to process graph data at scale, including the implementation of several popular and advanced graph analytics algorithms.

Graph Algorithm Animation with Grrr

OpenAIRE

Rodgers, Peter; Vidal, Natalia

2000-01-01

We discuss geometric positioning, highlighting of visited nodes and user defined highlighting that form the algorithm animation facilities in the Grrr graph rewriting programming language. The main purpose of animation was initially for the debugging and profiling of Grrr code, but recently it has been extended for the purpose of teaching algorithms to undergraduate students. The animation is restricted to graph based algorithms such as graph drawing, list manipulation or more traditional gra...

Synthesis of New Acadesine (AICA-riboside Analogues Having Acyclic d-Ribityl or 4-Hydroxybutyl Chains in Place of the Ribose

Directory of Open Access Journals (Sweden)

Gennaro Piccialli

2013-08-01

Full Text Available The antiviral activity of certain acyclic nucleosides drew our attention to the fact that the replacement of the furanose ring by an alkyl group bearing hydroxyl(s could be a useful structural modification to modulate the biological properties of those nucleosides. Herein, we report on the synthesis of some novel acadesine analogues, where the ribose moiety is mimicked by a d-ribityl or by a hydroxybutyl chain.

My Bar Graph Tells a Story

Science.gov (United States)

McMillen, Sue; McMillen, Beth

2010-01-01

Connecting stories to qualitative coordinate graphs has been suggested as an effective instructional strategy. Even students who are able to "create" bar graphs may struggle to correctly "interpret" them. Giving children opportunities to work with qualitative graphs can help them develop the skills to interpret, describe, and compare information…

An intersection graph of straight lines

DEFF Research Database (Denmark)

Thomassen, Carsten

2002-01-01

G. Ehrlich, S. Even, and R.E. Tarjan conjectured that the graph obtained from a complete 3 partite graph K4,4,4 by deleting the edges of four disjoint triangles is not the intersection graph of straight line segments in the plane. We show that it is....

Trajectories entropy in dynamical graphs with memory

Directory of Open Access Journals (Sweden)

Francesco eCaravelli

2016-04-01

Full Text Available In this paper we investigate the application of non-local graph entropy to evolving and dynamical graphs. The measure is based upon the notion of Markov diffusion on a graph, and relies on the entropy applied to trajectories originating at a specific node. In particular, we study the model of reinforcement-decay graph dynamics, which leads to scale free graphs. We find that the node entropy characterizes the structure of the network in the two parameter phase-space describing the dynamical evolution of the weighted graph. We then apply an adapted version of the entropy measure to purely memristive circuits. We provide evidence that meanwhile in the case of DC voltage the entropy based on the forward probability is enough to characterize the graph properties, in the case of AC voltage generators one needs to consider both forward and backward based transition probabilities. We provide also evidence that the entropy highlights the self-organizing properties of memristive circuits, which re-organizes itself to satisfy the symmetries of the underlying graph.

On revealing graph cycles via boundary measurements

International Nuclear Information System (INIS)

Belishev, M I; Wada, N

2009-01-01

This paper deals with boundary value inverse problems on a metric graph, the structure of the graph being assumed unknown. The question under consideration is how to detect from the dynamical and/or spectral inverse data whether the graph contains cycles (is not a tree). For any graph Ω, the dynamical as well as spectral boundary inverse data determine the so-called wave diameter d w : H -1 (Ω) → R defined on functionals supported in the graph. The known fact is that if Ω is a tree then d w ≥ 0 holds and, in this case, the inverse data determine Ω up to isometry. A graph Ω is said to be coordinate if the functions {dist Ω (., γ)} γin∂Ω constitute a coordinate system on Ω. For such graphs, we propose a procedure, which reveals the presence/absence of cycles. The hypothesis is that Ω contains cycles if and only if d w takes negative values. We do not justify this hypothesis in the general case but reduce it to a certain special class of graphs (suns)

Constructing a clinical decision-making framework for image-guided radiotherapy using a Bayesian Network

International Nuclear Information System (INIS)

Hargrave, C; Deegan, T; Gibbs, A; Poulsen, M; Moores, M; Harden, F; Mengersen, K

2014-01-01

A decision-making framework for image-guided radiotherapy (IGRT) is being developed using a Bayesian Network (BN) to graphically describe, and probabilistically quantify, the many interacting factors that are involved in this complex clinical process. Outputs of the BN will provide decision-support for radiation therapists to assist them to make correct inferences relating to the likelihood of treatment delivery accuracy for a given image-guided set-up correction. The framework is being developed as a dynamic object-oriented BN, allowing for complex modelling with specific subregions, as well as representation of the sequential decision-making and belief updating associated with IGRT. A prototype graphic structure for the BN was developed by analysing IGRT practices at a local radiotherapy department and incorporating results obtained from a literature review. Clinical stakeholders reviewed the BN to validate its structure. The BN consists of a sub-network for evaluating the accuracy of IGRT practices and technology. The directed acyclic graph (DAG) contains nodes and directional arcs representing the causal relationship between the many interacting factors such as tumour site and its associated critical organs, technology and technique, and inter-user variability. The BN was extended to support on-line and off-line decision-making with respect to treatment plan compliance. Following conceptualisation of the framework, the BN will be quantified. It is anticipated that the finalised decision-making framework will provide a foundation to develop better decision-support strategies and automated correction algorithms for IGRT.

Constructing a clinical decision-making framework for image-guided radiotherapy using a Bayesian Network

Science.gov (United States)

Hargrave, C.; Moores, M.; Deegan, T.; Gibbs, A.; Poulsen, M.; Harden, F.; Mengersen, K.

2014-03-01

A decision-making framework for image-guided radiotherapy (IGRT) is being developed using a Bayesian Network (BN) to graphically describe, and probabilistically quantify, the many interacting factors that are involved in this complex clinical process. Outputs of the BN will provide decision-support for radiation therapists to assist them to make correct inferences relating to the likelihood of treatment delivery accuracy for a given image-guided set-up correction. The framework is being developed as a dynamic object-oriented BN, allowing for complex modelling with specific subregions, as well as representation of the sequential decision-making and belief updating associated with IGRT. A prototype graphic structure for the BN was developed by analysing IGRT practices at a local radiotherapy department and incorporating results obtained from a literature review. Clinical stakeholders reviewed the BN to validate its structure. The BN consists of a sub-network for evaluating the accuracy of IGRT practices and technology. The directed acyclic graph (DAG) contains nodes and directional arcs representing the causal relationship between the many interacting factors such as tumour site and its associated critical organs, technology and technique, and inter-user variability. The BN was extended to support on-line and off-line decision-making with respect to treatment plan compliance. Following conceptualisation of the framework, the BN will be quantified. It is anticipated that the finalised decision-making framework will provide a foundation to develop better decision-support strategies and automated correction algorithms for IGRT.

OPEX: Optimized Eccentricity Computation in Graphs

Energy Technology Data Exchange (ETDEWEB)

Henderson, Keith [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2011-11-14

Real-world graphs have many properties of interest, but often these properties are expensive to compute. We focus on eccentricity, radius and diameter in this work. These properties are useful measures of the global connectivity patterns in a graph. Unfortunately, computing eccentricity for all nodes is O(n2) for a graph with n nodes. We present OPEX, a novel combination of optimizations which improves computation time of these properties by orders of magnitude in real-world experiments on graphs of many different sizes. We run OPEX on graphs with up to millions of links. OPEX gives either exact results or bounded approximations, unlike its competitors which give probabilistic approximations or sacrifice node-level information (eccentricity) to compute graphlevel information (diameter).

Pixels to Graphs by Associative Embedding

KAUST Repository

Newell, Alejandro

2017-06-22

Graphs are a useful abstraction of image content. Not only can graphs represent details about individual objects in a scene but they can capture the interactions between pairs of objects. We present a method for training a convolutional neural network such that it takes in an input image and produces a full graph. This is done end-to-end in a single stage with the use of associative embeddings. The network learns to simultaneously identify all of the elements that make up a graph and piece them together. We benchmark on the Visual Genome dataset, and report a Recall@50 of 9.7% compared to the prior state-of-the-art at 3.4%, a nearly threefold improvement on the challenging task of scene graph generation.

Flexible indexing of repetitive collections

DEFF Research Database (Denmark)

Belazzougui, Djamal; Cunial, Fabio; Gagie, Travis

2017-01-01

, at the cost of slower locate queries. Combining the RLBWT with the compact directed acyclic word graph answers locate queries for short patterns between four and ten times faster than a version of the run-length compressed suffix array (RLCSA) that uses comparable memory, and with very short patterns our...

Direct unavailability computation of a maintained highly reliable system

Czech Academy of Sciences Publication Activity Database

Briš, R.; Byczanski, Petr

2010-01-01

Roč. 224, č. 3 (2010), s. 159-170 ISSN 1748-0078 Grant - others:GA Mšk(CZ) MSM6198910007 Institutional research plan: CEZ:AV0Z30860518 Keywords : high reliability * availability * directed acyclic graph Subject RIV: BA - General Mathematics http:// journals .pepublishing.com/content/rtp3178l17923m46/

A faithful functor among algebras and graphs

OpenAIRE

Falcón Ganfornina, Óscar Jesús; Falcón Ganfornina, Raúl Manuel; Núñez Valdés, Juan; Pacheco Martínez, Ana María; Villar Liñán, María Trinidad; Vigo Aguiar, Jesús (Coordinador)

2016-01-01

The problem of identifying a functor between the categories of algebras and graphs is currently open. Based on a known algorithm that identifies isomorphisms of Latin squares with isomorphism of vertex-colored graphs, we describe here a pair of graphs that enable us to find a faithful functor between finite-dimensional algebras over finite fields and these graphs.

Cellular Automata on Graphs: Topological Properties of ER Graphs Evolved towards Low-Entropy Dynamics

Directory of Open Access Journals (Sweden)

Marc-Thorsten Hütt

2012-06-01

Full Text Available Cellular automata (CA are a remarkably  efficient tool for exploring general properties of complex systems and spatiotemporal patterns arising from local rules. Totalistic cellular automata,  where the update  rules depend  only on the density of neighboring states, are at the same time a versatile  tool for exploring  dynamical  processes on graphs. Here we briefly review our previous results on cellular automata on graphs, emphasizing some systematic relationships between network architecture and dynamics identified in this way. We then extend the investigation  towards graphs obtained in a simulated-evolution procedure, starting from Erdő s–Rényi (ER graphs and selecting for low entropies of the CA dynamics. Our key result is a strong association of low Shannon entropies with a broadening of the graph’s degree distribution.

The color space of a graph

DEFF Research Database (Denmark)

Jensen, T.R.; Thomassen, Carsten

2000-01-01

If k is a prime power, and G is a graph with n vertices, then a k-coloring of G may be considered as a vector in GF(k)(n). We prove that the subspace of GF(3)(n) spanned by all 3-colorings of a planar triangle-free graph with n vertices has dimension n. In particular, any such graph has at least n...... - 1 nonequivalent 3-colorings, and the addition of any edge or any vertex of degree 3 results in a 3-colorable graph. (C) 2000 John Wiley & Sons, Inc....

Box graphs and resolutions I

Directory of Open Access Journals (Sweden)

Andreas P. Braun

2016-04-01

Full Text Available Box graphs succinctly and comprehensively characterize singular fibers of elliptic fibrations in codimension two and three, as well as flop transitions connecting these, in terms of representation theoretic data. We develop a framework that provides a systematic map between a box graph and a crepant algebraic resolution of the singular elliptic fibration, thus allowing an explicit construction of the fibers from a singular Weierstrass or Tate model. The key tool is what we call a fiber face diagram, which shows the relevant information of a (partial toric triangulation and allows the inclusion of more general algebraic blowups. We shown that each such diagram defines a sequence of weighted algebraic blowups, thus providing a realization of the fiber defined by the box graph in terms of an explicit resolution. We show this correspondence explicitly for the case of SU(5 by providing a map between box graphs and fiber faces, and thereby a sequence of algebraic resolutions of the Tate model, which realizes each of the box graphs.

Forbidden Structures for Planar Perfect Consecutively Colourable Graphs

Directory of Open Access Journals (Sweden)

Borowiecka-Olszewska Marta

2017-05-01

Full Text Available A consecutive colouring of a graph is a proper edge colouring with posi- tive integers in which the colours of edges incident with each vertex form an interval of integers. The idea of this colouring was introduced in 1987 by Asratian and Kamalian under the name of interval colouring. Sevast- janov showed that the corresponding decision problem is NP-complete even restricted to the class of bipartite graphs. We focus our attention on the class of consecutively colourable graphs whose all induced subgraphs are consecutively colourable, too. We call elements of this class perfect consecutively colourable to emphasise the conceptual similarity to perfect graphs. Obviously, the class of perfect consecutively colourable graphs is induced hereditary, so it can be characterized by the family of induced forbidden graphs. In this work we give a necessary and sufficient conditions that must be satisfied by the generalized Sevastjanov rosette to be an induced forbid- den graph for the class of perfect consecutively colourable graphs. Along the way, we show the exact values of the deficiency of all generalized Sevastjanov rosettes, which improves the earlier known estimating result. It should be mentioned that the deficiency of a graph measures its closeness to the class of consecutively colourable graphs. We motivate the investigation of graphs considered here by showing their connection to the class of planar perfect consecutively colourable graphs.

47 CFR 80.761 - Conversion graphs.

Science.gov (United States)

2010-10-01

... MARITIME SERVICES Standards for Computing Public Coast Station VHF Coverage § 80.761 Conversion graphs. The following graphs must be employed where conversion from one to the other of the indicated types of units is... 47 Telecommunication 5 2010-10-01 2010-10-01 false Conversion graphs. 80.761 Section 80.761...

Building Scalable Knowledge Graphs for Earth Science

Science.gov (United States)

Ramachandran, Rahul; Maskey, Manil; Gatlin, Patrick; Zhang, Jia; Duan, Xiaoyi; Miller, J. J.; Bugbee, Kaylin; Christopher, Sundar; Freitag, Brian

2017-01-01

Knowledge Graphs link key entities in a specific domain with other entities via relationships. From these relationships, researchers can query knowledge graphs for probabilistic recommendations to infer new knowledge. Scientific papers are an untapped resource which knowledge graphs could leverage to accelerate research discovery. Goal: Develop an end-to-end (semi) automated methodology for constructing Knowledge Graphs for Earth Science.

On the diameter of dot-critical graphs

Directory of Open Access Journals (Sweden)

Doost Ali Mojdeh

2009-01-01

Full Text Available A graph G is \\(k\\-dot-critical (totaly \\(k\\-dot-critical if \\(G\\ is dot-critical (totaly dot-critical and the domination number is \\(k\\. In the paper [T. Burtona, D. P. Sumner, Domination dot-critical graphs, Discrete Math, 306 (2006, 11-18] the following question is posed: What are the best bounds for the diameter of a \\(k\\-dot-critical graph and a totally \\(k\\-dot-critical graph \\(G\\ with no critical vertices for \\(k \\geq 4\\? We find the best bound for the diameter of a \\(k\\-dot-critical graph, where \\(k \\in\\{4,5,6\\}\\ and we give a family of \\(k\\-dot-critical graphs (with no critical vertices with sharp diameter \\(2k-3\\ for even \\(k \\geq 4\\.

graphkernels: R and Python packages for graph comparison.

Science.gov (United States)

Sugiyama, Mahito; Ghisu, M Elisabetta; Llinares-López, Felipe; Borgwardt, Karsten

2018-02-01

Measuring the similarity of graphs is a fundamental step in the analysis of graph-structured data, which is omnipresent in computational biology. Graph kernels have been proposed as a powerful and efficient approach to this problem of graph comparison. Here we provide graphkernels, the first R and Python graph kernel libraries including baseline kernels such as label histogram based kernels, classic graph kernels such as random walk based kernels, and the state-of-the-art Weisfeiler-Lehman graph kernel. The core of all graph kernels is implemented in C ++ for efficiency. Using the kernel matrices computed by the package, we can easily perform tasks such as classification, regression and clustering on graph-structured samples. The R and Python packages including source code are available at https://CRAN.R-project.org/package=graphkernels and https://pypi.python.org/pypi/graphkernels. mahito@nii.ac.jp or elisabetta.ghisu@bsse.ethz.ch. Supplementary data are available online at Bioinformatics. © The Author(s) 2017. Published by Oxford University Press.

Optimization of β-decision rules relative to number of misclassifications

KAUST Repository

Zielosko, Beata

2012-01-01

In the paper, we present an algorithm for optimization of approximate decision rules relative to the number of misclassifications. The considered algorithm is based on extensions of dynamic programming and constructs a directed acyclic graph Δ β (T). Based on this graph we can describe the whole set of so-called irredundant β-decision rules. We can optimize rules from this set according to the number of misclassifications. Results of experiments with decision tables from the UCI Machine Learning Repository are presented. © 2012 Springer-Verlag.

Graph anomalies in cyber communications

Energy Technology Data Exchange (ETDEWEB)

Vander Wiel, Scott A [Los Alamos National Laboratory; Storlie, Curtis B [Los Alamos National Laboratory; Sandine, Gary [Los Alamos National Laboratory; Hagberg, Aric A [Los Alamos National Laboratory; Fisk, Michael [Los Alamos National Laboratory

2011-01-11

Enterprises monitor cyber traffic for viruses, intruders and stolen information. Detection methods look for known signatures of malicious traffic or search for anomalies with respect to a nominal reference model. Traditional anomaly detection focuses on aggregate traffic at central nodes or on user-level monitoring. More recently, however, traffic is being viewed more holistically as a dynamic communication graph. Attention to the graph nature of the traffic has expanded the types of anomalies that are being sought. We give an overview of several cyber data streams collected at Los Alamos National Laboratory and discuss current work in modeling the graph dynamics of traffic over the network. We consider global properties and local properties within the communication graph. A method for monitoring relative entropy on multiple correlated properties is discussed in detail.

Graphs, groups and surfaces

CERN Document Server

White, AT

1985-01-01

The field of topological graph theory has expanded greatly in the ten years since the first edition of this book appeared. The original nine chapters of this classic work have therefore been revised and updated. Six new chapters have been added, dealing with: voltage graphs, non-orientable imbeddings, block designs associated with graph imbeddings, hypergraph imbeddings, map automorphism groups and change ringing.Thirty-two new problems have been added to this new edition, so that there are now 181 in all; 22 of these have been designated as ``difficult'''' and 9 as ``unsolved''''. Three of the four unsolved problems from the first edition have been solved in the ten years between editions; they are now marked as ``difficult''''.

Subdominant pseudoultrametric on graphs

Energy Technology Data Exchange (ETDEWEB)

Dovgoshei, A A; Petrov, E A [Institute of Applied Mathematics and Mechanics, National Academy of Sciences of Ukraine, Donetsk (Ukraine)

2013-08-31

Let (G,w) be a weighted graph. We find necessary and sufficient conditions under which the weight w:E(G)→R{sup +} can be extended to a pseudoultrametric on V(G), and establish a criterion for the uniqueness of such an extension. We demonstrate that (G,w) is a complete k-partite graph, for k≥2, if and only if for any weight that can be extended to a pseudoultrametric, among all such extensions one can find the least pseudoultrametric consistent with w. We give a structural characterization of graphs for which the subdominant pseudoultrametric is an ultrametric for any strictly positive weight that can be extended to a pseudoultrametric. Bibliography: 14 titles.

Equitable Colorings Of Corona Multiproducts Of Graphs

Directory of Open Access Journals (Sweden)

Furmánczyk Hanna

2017-11-01

Full Text Available A graph is equitably k-colorable if its vertices can be partitioned into k independent sets in such a way that the numbers of vertices in any two sets differ by at most one. The smallest k for which such a coloring exists is known as the equitable chromatic number of G and denoted by =(G. It is known that the problem of computation of =(G is NP-hard in general and remains so for corona graphs. In this paper we consider the same model of coloring in the case of corona multiproducts of graphs. In particular, we obtain some results regarding the equitable chromatic number for the l-corona product G ◦l H, where G is an equitably 3- or 4-colorable graph and H is an r-partite graph, a cycle or a complete graph. Our proofs are mostly constructive in that they lead to polynomial algorithms for equitable coloring of such graph products provided that there is given an equitable coloring of G. Moreover, we confirm the Equitable Coloring Conjecture for corona products of such graphs. This paper extends the results from [H. Furmánczyk, K. Kaliraj, M. Kubale and V.J. Vivin, Equitable coloring of corona products of graphs, Adv. Appl. Discrete Math. 11 (2013 103–120].

Sphere and dot product representations of graphs

NARCIS (Netherlands)

R.J. Kang (Ross); T. Müller (Tobias)

2012-01-01

textabstractA graph $G$ is a $k$-sphere graph if there are $k$-dimensional real vectors $v_1,\\dots,v_n$ such that $ij\\in E(G)$ if and only if the distance between $v_i$ and $v_j$ is at most $1$. A graph $G$ is a $k$-dot product graph if there are $k$-dimensional real vectors $v_1,\\dots,v_n$ such

Graph Query Portal

OpenAIRE

Dayal, Amit; Brock, David

2018-01-01

Prashant Chandrasekar, a lead developer for the Social Interactome project, has tasked the team with creating a graph representation of the data collected from the social networks involved in that project. The data is currently stored in a MySQL database. The client requested that the graph database be Cayley, but after a literature review, Neo4j was chosen. The reasons for this shift will be explained in the design section. Secondarily, the team was tasked with coming up with three scena...

An Association-Oriented Partitioning Approach for Streaming Graph Query

Directory of Open Access Journals (Sweden)

Yun Hao

2017-01-01

Full Text Available The volumes of real-world graphs like knowledge graph are increasing rapidly, which makes streaming graph processing a hot research area. Processing graphs in streaming setting poses significant challenges from different perspectives, among which graph partitioning method plays a key role. Regarding graph query, a well-designed partitioning method is essential for achieving better performance. Existing offline graph partitioning methods often require full knowledge of the graph, which is not possible during streaming graph processing. In order to handle this problem, we propose an association-oriented streaming graph partitioning method named Assc. This approach first computes the rank values of vertices with a hybrid approximate PageRank algorithm. After splitting these vertices with an adapted variant affinity propagation algorithm, the process order on vertices in the sliding window can be determined. Finally, according to the level of these vertices and their association, the partition where the vertices should be distributed is decided. We compare its performance with a set of streaming graph partition methods and METIS, a widely adopted offline approach. The results show that our solution can partition graphs with hundreds of millions of vertices in streaming setting on a large collection of graph datasets and our approach outperforms other graph partitioning methods.

A comparative study of applying Mason’s Rule in the case of flow-graphs and bond-graphs

Directory of Open Access Journals (Sweden)

Adriana Grava

2009-05-01

Full Text Available The paper presents two methods to analyzethe electric circuits using the flow-graphs and thebond-graphs studying the differences between thesemethods.As it can be noticed, the two methods are totallydifferent; their common point being Mason’s rule thatis applied in both cases but it is applied differently foreach type of graphs.

An algebraic approach to graph codes

DEFF Research Database (Denmark)

Pinero, Fernando

This thesis consists of six chapters. The first chapter, contains a short introduction to coding theory in which we explain the coding theory concepts we use. In the second chapter, we present the required theory for evaluation codes and also give an example of some fundamental codes in coding...... theory as evaluation codes. Chapter three consists of the introduction to graph based codes, such as Tanner codes and graph codes. In Chapter four, we compute the dimension of some graph based codes with a result combining graph based codes and subfield subcodes. Moreover, some codes in chapter four...

Replica methods for loopy sparse random graphs

International Nuclear Information System (INIS)

Coolen, ACC

2016-01-01

I report on the development of a novel statistical mechanical formalism for the analysis of random graphs with many short loops, and processes on such graphs. The graphs are defined via maximum entropy ensembles, in which both the degrees (via hard constraints) and the adjacency matrix spectrum (via a soft constraint) are prescribed. The sum over graphs can be done analytically, using a replica formalism with complex replica dimensions. All known results for tree-like graphs are recovered in a suitable limit. For loopy graphs, the emerging theory has an appealing and intuitive structure, suggests how message passing algorithms should be adapted, and what is the structure of theories describing spin systems on loopy architectures. However, the formalism is still largely untested, and may require further adjustment and refinement. (paper)

The STAPL Parallel Graph Library

KAUST Repository

Harshvardhan,; Fidel, Adam; Amato, Nancy M.; Rauchwerger, Lawrence

2013-01-01

This paper describes the stapl Parallel Graph Library, a high-level framework that abstracts the user from data-distribution and parallelism details and allows them to concentrate on parallel graph algorithm development. It includes a customizable

Optimal allocation of multi-state retransmitters in acyclic transmission networks

International Nuclear Information System (INIS)

Levitin, Gregory

2002-01-01

In this paper, an algorithm for optimal allocation of multi-state elements (MEs) in acyclic transmission networks (ATNs) is suggested. The ATNs consist of a number of positions (nodes) in which MEs capable of receiving and sending a signal are allocated. Each network has a root position where the signal source is located, a number of leaf positions that can only receive a signal, and a number of intermediate positions containing MEs capable of transmitting the received signal to some other nodes. Each ME that is located in a nonleaf node can have different states determined by a set of nodes receiving the signal directly from this ME. The probability of each state is assumed to be known for each ME. The ATN reliability is defined as the probability that a signal from the root node is transmitted to each leaf node. The optimal distribution of MEs with different characteristics among ATN positions provides the greatest possible ATN reliability. The suggested algorithm is based on using a universal generating function technique for network reliability evaluation. A genetic algorithm is used as the optimization tool. Illustrative examples are presented

Coloring and The Lonely Graph

OpenAIRE

Rabern, Landon

2007-01-01

We improve upper bounds on the chromatic number proven independently in \\cite{reedNote} and \\cite{ingo}. Our main lemma gives a sufficient condition for two paths in graph to be completely joined. Using this, we prove that if a graph has an optimal coloring with more than $\\frac{\\omega}{2}$ singleton color classes, then it satisfies $\\chi \\leq \\frac{\\omega + \\Delta + 1}{2}$. It follows that a graph satisfying $n - \\Delta < \\alpha + \\frac{\\omega - 1}{2}$ must also satisfy $\\chi \\leq \\frac{\\ome...

Graph Mining Meets the Semantic Web

Energy Technology Data Exchange (ETDEWEB)

Lee, Sangkeun (Matt) [ORNL; Sukumar, Sreenivas R [ORNL; Lim, Seung-Hwan [ORNL

2015-01-01

The Resource Description Framework (RDF) and SPARQL Protocol and RDF Query Language (SPARQL) were introduced about a decade ago to enable flexible schema-free data interchange on the Semantic Web. Today, data scientists use the framework as a scalable graph representation for integrating, querying, exploring and analyzing data sets hosted at different sources. With increasing adoption, the need for graph mining capabilities for the Semantic Web has emerged. We address that need through implementation of three popular iterative Graph Mining algorithms (Triangle count, Connected component analysis, and PageRank). We implement these algorithms as SPARQL queries, wrapped within Python scripts. We evaluate the performance of our implementation on 6 real world data sets and show graph mining algorithms (that have a linear-algebra formulation) can indeed be unleashed on data represented as RDF graphs using the SPARQL query interface.

A model of language inflection graphs

Science.gov (United States)

Fukś, Henryk; Farzad, Babak; Cao, Yi

2014-01-01

Inflection graphs are highly complex networks representing relationships between inflectional forms of words in human languages. For so-called synthetic languages, such as Latin or Polish, they have particularly interesting structure due to the abundance of inflectional forms. We construct the simplest form of inflection graphs, namely a bipartite graph in which one group of vertices corresponds to dictionary headwords and the other group to inflected forms encountered in a given text. We, then, study projection of this graph on the set of headwords. The projection decomposes into a large number of connected components, to be called word groups. Distribution of sizes of word group exhibits some remarkable properties, resembling cluster distribution in a lattice percolation near the critical point. We propose a simple model which produces graphs of this type, reproducing the desired component distribution and other topological features.

Incremental Frequent Subgraph Mining on Large Evolving Graphs

KAUST Repository

Abdelhamid, Ehab

2017-08-22

Frequent subgraph mining is a core graph operation used in many domains, such as graph data management and knowledge exploration, bioinformatics and security. Most existing techniques target static graphs. However, modern applications, such as social networks, utilize large evolving graphs. Mining these graphs using existing techniques is infeasible, due to the high computational cost. In this paper, we propose IncGM+, a fast incremental approach for continuous frequent subgraph mining problem on a single large evolving graph. We adapt the notion of “fringe” to the graph context, that is the set of subgraphs on the border between frequent and infrequent subgraphs. IncGM+ maintains fringe subgraphs and exploits them to prune the search space. To boost the efficiency, we propose an efficient index structure to maintain selected embeddings with minimal memory overhead. These embeddings are utilized to avoid redundant expensive subgraph isomorphism operations. Moreover, the proposed system supports batch updates. Using large real-world graphs, we experimentally verify that IncGM+ outperforms existing methods by up to three orders of magnitude, scales to much larger graphs and consumes less memory.

Smooth Bundling of Large Streaming and Sequence Graphs

NARCIS (Netherlands)

Hurter, C.; Ersoy, O.; Telea, A.

2013-01-01

Dynamic graphs are increasingly pervasive in modern information systems. However, understanding how a graph changes in time is difficult. We present here two techniques for simplified visualization of dynamic graphs using edge bundles. The first technique uses a recent image-based graph bundling

The groupies of random multipartite graphs

OpenAIRE

Portmann, Marius; Wang, Hongyun

2012-01-01

If a vertex $v$ in a graph $G$ has degree larger than the average of the degrees of its neighbors, we call it a groupie in $G$. In the current work, we study the behavior of groupie in random multipartite graphs with the link probability between sets of nodes fixed. Our results extend the previous ones on random (bipartite) graphs.

Open Graphs and Computational Reasoning

Directory of Open Access Journals (Sweden)

Lucas Dixon

2010-06-01

Full Text Available We present a form of algebraic reasoning for computational objects which are expressed as graphs. Edges describe the flow of data between primitive operations which are represented by vertices. These graphs have an interface made of half-edges (edges which are drawn with an unconnected end and enjoy rich compositional principles by connecting graphs along these half-edges. In particular, this allows equations and rewrite rules to be specified between graphs. Particular computational models can then be encoded as an axiomatic set of such rules. Further rules can be derived graphically and rewriting can be used to simulate the dynamics of a computational system, e.g. evaluating a program on an input. Examples of models which can be formalised in this way include traditional electronic circuits as well as recent categorical accounts of quantum information.

Properly colored connectivity of graphs

CERN Document Server

Li, Xueliang; Qin, Zhongmei

2018-01-01

A comprehensive survey of proper connection of graphs is discussed in this book with real world applications in computer science and network security. Beginning with a brief introduction, comprising relevant definitions and preliminary results, this book moves on to consider a variety of properties of graphs that imply bounds on the proper connection number. Detailed proofs of significant advancements toward open problems and conjectures are presented with complete references. Researchers and graduate students with an interest in graph connectivity and colorings will find this book useful as it builds upon fundamental definitions towards modern innovations, strategies, and techniques. The detailed presentation lends to use as an introduction to proper connection of graphs for new and advanced researchers, a solid book for a graduate level topics course, or as a reference for those interested in expanding and further developing research in the area.

Optical generation of matter qubit graph states

International Nuclear Information System (INIS)

Benjamin, S C; Eisert, J; Stace, T M

2005-01-01

We present a scheme for rapidly entangling matter qubits in order to create graph states for one-way quantum computing. The qubits can be simple three-level systems in separate cavities. Coupling involves only local fields and a static (unswitched) linear optics network. Fusion of graph-state sections occurs with, in principle, zero probability of damaging the nascent graph state. We avoid the finite thresholds of other schemes by operating on two entangled pairs, so that each generates exactly one photon. We do not require the relatively slow single qubit local flips to be applied during the growth phase: growth of the graph state can then become a purely optical process. The scheme naturally generates graph states with vertices of high degree and so is easily able to construct minimal graph states, with consequent resource savings. The most efficient approach will be to create new graph-state edges even as qubits elsewhere are measured, in a 'just in time' approach. An error analysis indicates that the scheme is relatively robust against imperfections in the apparatus

XML Graphs in Program Analysis

DEFF Research Database (Denmark)

Møller, Anders; Schwartzbach, Michael I.

2011-01-01

of XML graphs against different XML schema languages, and provide a software package that enables others to make use of these ideas. We also survey the use of XML graphs for program analysis with four very different languages: XACT (XML in Java), Java Servlets (Web application programming), XSugar......XML graphs have shown to be a simple and effective formalism for representing sets of XML documents in program analysis. It has evolved through a six year period with variants tailored for a range of applications. We present a unified definition, outline the key properties including validation...

Graphs with Eulerian unit spheres

OpenAIRE

Knill, Oliver

2015-01-01

d-spheres in graph theory are inductively defined as graphs for which all unit spheres S(x) are (d-1)-spheres and that the removal of one vertex renders the graph contractible. Eulerian d-spheres are geometric d-spheres which are d+1 colorable. We prove here that G is an Eulerian sphere if and only if the degrees of all the (d-2)-dimensional sub-simplices in G are even. This generalizes a Kempe-Heawood result for d=2 and is work related to the conjecture that all d-spheres have chromatic numb...

The Container Problem in Bubble-Sort Graphs

Science.gov (United States)

Suzuki, Yasuto; Kaneko, Keiichi

Bubble-sort graphs are variants of Cayley graphs. A bubble-sort graph is suitable as a topology for massively parallel systems because of its simple and regular structure. Therefore, in this study, we focus on n-bubble-sort graphs and propose an algorithm to obtain n-1 disjoint paths between two arbitrary nodes in time bounded by a polynomial in n, the degree of the graph plus one. We estimate the time complexity of the algorithm and the sum of the path lengths after proving the correctness of the algorithm. In addition, we report the results of computer experiments evaluating the average performance of the algorithm.

The many faces of graph dynamics

Science.gov (United States)

Pignolet, Yvonne Anne; Roy, Matthieu; Schmid, Stefan; Tredan, Gilles

2017-06-01

The topological structure of complex networks has fascinated researchers for several decades, resulting in the discovery of many universal properties and reoccurring characteristics of different kinds of networks. However, much less is known today about the network dynamics: indeed, complex networks in reality are not static, but rather dynamically evolve over time. Our paper is motivated by the empirical observation that network evolution patterns seem far from random, but exhibit structure. Moreover, the specific patterns appear to depend on the network type, contradicting the existence of a ‘one fits it all’ model. However, we still lack observables to quantify these intuitions, as well as metrics to compare graph evolutions. Such observables and metrics are needed for extrapolating or predicting evolutions, as well as for interpolating graph evolutions. To explore the many faces of graph dynamics and to quantify temporal changes, this paper suggests to build upon the concept of centrality, a measure of node importance in a network. In particular, we introduce the notion of centrality distance, a natural similarity measure for two graphs which depends on a given centrality, characterizing the graph type. Intuitively, centrality distances reflect the extent to which (non-anonymous) node roles are different or, in case of dynamic graphs, have changed over time, between two graphs. We evaluate the centrality distance approach for five evolutionary models and seven real-world social and physical networks. Our results empirically show the usefulness of centrality distances for characterizing graph dynamics compared to a null-model of random evolution, and highlight the differences between the considered scenarios. Interestingly, our approach allows us to compare the dynamics of very different networks, in terms of scale and evolution speed.

Low-algorithmic-complexity entropy-deceiving graphs

KAUST Repository

Zenil, Hector

2017-07-08

In estimating the complexity of objects, in particular, of graphs, it is common practice to rely on graphand information-theoretic measures. Here, using integer sequences with properties such as Borel normality, we explain how these measures are not independent of the way in which an object, such as a graph, can be described or observed. From observations that can reconstruct the same graph and are therefore essentially translations of the same description, we see that when applying a computable measure such as the Shannon entropy, not only is it necessary to preselect a feature of interest where there is one, and to make an arbitrary selection where there is not, but also more general properties, such as the causal likelihood of a graph as a measure (opposed to randomness), can be largely misrepresented by computable measures such as the entropy and entropy rate. We introduce recursive and nonrecursive (uncomputable) graphs and graph constructions based on these integer sequences, whose different lossless descriptions have disparate entropy values, thereby enabling the study and exploration of a measure\\'s range of applications and demonstrating the weaknesses of computable measures of complexity.

Multiple graph regularized nonnegative matrix factorization

KAUST Repository

Wang, Jim Jing-Yan

2013-10-01

Non-negative matrix factorization (NMF) has been widely used as a data representation method based on components. To overcome the disadvantage of NMF in failing to consider the manifold structure of a data set, graph regularized NMF (GrNMF) has been proposed by Cai et al. by constructing an affinity graph and searching for a matrix factorization that respects graph structure. Selecting a graph model and its corresponding parameters is critical for this strategy. This process is usually carried out by cross-validation or discrete grid search, which are time consuming and prone to overfitting. In this paper, we propose a GrNMF, called MultiGrNMF, in which the intrinsic manifold is approximated by a linear combination of several graphs with different models and parameters inspired by ensemble manifold regularization. Factorization metrics and linear combination coefficients of graphs are determined simultaneously within a unified object function. They are alternately optimized in an iterative algorithm, thus resulting in a novel data representation algorithm. Extensive experiments on a protein subcellular localization task and an Alzheimer\\'s disease diagnosis task demonstrate the effectiveness of the proposed algorithm. © 2013 Elsevier Ltd. All rights reserved.

Low-algorithmic-complexity entropy-deceiving graphs

KAUST Repository

Zenil, Hector; Kiani, Narsis A.; Tegner, Jesper

2017-01-01

In estimating the complexity of objects, in particular, of graphs, it is common practice to rely on graphand information-theoretic measures. Here, using integer sequences with properties such as Borel normality, we explain how these measures are not independent of the way in which an object, such as a graph, can be described or observed. From observations that can reconstruct the same graph and are therefore essentially translations of the same description, we see that when applying a computable measure such as the Shannon entropy, not only is it necessary to preselect a feature of interest where there is one, and to make an arbitrary selection where there is not, but also more general properties, such as the causal likelihood of a graph as a measure (opposed to randomness), can be largely misrepresented by computable measures such as the entropy and entropy rate. We introduce recursive and nonrecursive (uncomputable) graphs and graph constructions based on these integer sequences, whose different lossless descriptions have disparate entropy values, thereby enabling the study and exploration of a measure's range of applications and demonstrating the weaknesses of computable measures of complexity.

Graph Sampling for Covariance Estimation

KAUST Repository

Chepuri, Sundeep Prabhakar; Leus, Geert

2017-01-01

specialize for undirected circulant graphs in that the graph nodes leading to the best compression rates are given by the so-called minimal sparse rulers. A near-optimal greedy algorithm is developed to design the subsampling scheme for the non

Particle transport in breathing quantum graph

International Nuclear Information System (INIS)

Matrasulov, D.U.; Yusupov, J.R.; Sabirov, K.K.; Sobirov, Z.A.

2012-01-01

Full text: Particle transport in nanoscale networks and discrete structures is of fundamental and practical importance. Usually such systems are modeled by so-called quantum graphs, the systems attracting much attention in physics and mathematics during past two decades [1-5]. During last two decades quantum graphs found numerous applications in modeling different discrete structures and networks in nanoscale and mesoscopic physics (e.g., see reviews [1-3]). Despite considerable progress made in the study of particle dynamics most of the problems deal with unperturbed case and the case of time-dependent perturbation has not yet be explored. In this work we treat particle dynamics for quantum star graph with time-dependent bonds. In particular, we consider harmonically breathing quantum star graphs, the cases of monotonically contracting and expanding graphs. The latter can be solved exactly analytically. Edge boundaries are considered to be time-dependent, while branching point is assumed to be fixed. Quantum dynamics of a particle in such graphs is studied by solving Schrodinger equation with time-dependent boundary conditions given on a star graph. Time-dependence of the average kinetic energy is analyzed. Space-time evolution of the Gaussian wave packet is treated for harmonically breathing star graph. It is found that for certain frequencies energy is a periodic function of time, while for others it can be non-monotonically growing function of time. Such a feature can be caused by possible synchronization of the particles motion and the motions of the moving edges of graph bonds. (authors) References: [1] Tsampikos Kottos and Uzy Smilansky, Ann. Phys., 76, 274 (1999). [2] Sven Gnutzmann and Uzy Smilansky, Adv. Phys. 55, 527 (2006). [3] S. GnutzmannJ.P. Keating, F. Piotet, Ann. Phys., 325, 2595 (2010). [4] P.Exner, P.Seba, P.Stovicek, J. Phys. A: Math. Gen. 21, 4009 (1988). [5] J. Boman, P. Kurasov, Adv. Appl. Math., 35, 58 (2005)

Interacting particle systems on graphs

Science.gov (United States)

Sood, Vishal

In this dissertation, the dynamics of socially or biologically interacting populations are investigated. The individual members of the population are treated as particles that interact via links on a social or biological network represented as a graph. The effect of the structure of the graph on the properties of the interacting particle system is studied using statistical physics techniques. In the first chapter, the central concepts of graph theory and social and biological networks are presented. Next, interacting particle systems that are drawn from physics, mathematics and biology are discussed in the second chapter. In the third chapter, the random walk on a graph is studied. The mean time for a random walk to traverse between two arbitrary sites of a random graph is evaluated. Using an effective medium approximation it is found that the mean first-passage time between pairs of sites, as well as all moments of this first-passage time, are insensitive to the density of links in the graph. The inverse of the mean-first passage time varies non-monotonically with the density of links near the percolation transition of the random graph. Much of the behavior can be understood by simple heuristic arguments. Evolutionary dynamics, by which mutants overspread an otherwise uniform population on heterogeneous graphs, are studied in the fourth chapter. Such a process underlies' epidemic propagation, emergence of fads, social cooperation or invasion of an ecological niche by a new species. The first part of this chapter is devoted to neutral dynamics, in which the mutant genotype does not have a selective advantage over the resident genotype. The time to extinction of one of the two genotypes is derived. In the second part of this chapter, selective advantage or fitness is introduced such that the mutant genotype has a higher birth rate or a lower death rate. This selective advantage leads to a dynamical competition in which selection dominates for large populations

Transduction on Directed Graphs via Absorbing Random Walks.

Science.gov (United States)

De, Jaydeep; Zhang, Xiaowei; Lin, Feng; Cheng, Li

2017-08-11

In this paper we consider the problem of graph-based transductive classification, and we are particularly interested in the directed graph scenario which is a natural form for many real world applications.Different from existing research efforts that either only deal with undirected graphs or circumvent directionality by means of symmetrization, we propose a novel random walk approach on directed graphs using absorbing Markov chains, which can be regarded as maximizing the accumulated expected number of visits from the unlabeled transient states. Our algorithm is simple, easy to implement, and works with large-scale graphs on binary, multiclass, and multi-label prediction problems. Moreover, it is capable of preserving the graph structure even when the input graph is sparse and changes over time, as well as retaining weak signals presented in the directed edges. We present its intimate connections to a number of existing methods, including graph kernels, graph Laplacian based methods, and interestingly, spanning forest of graphs. Its computational complexity and the generalization error are also studied. Empirically our algorithm is systematically evaluated on a wide range of applications, where it has shown to perform competitively comparing to a suite of state-of-the-art methods. In particular, our algorithm is shown to work exceptionally well with large sparse directed graphs with e.g. millions of nodes and tens of millions of edges, where it significantly outperforms other state-of-the-art methods. In the dynamic graph setting involving insertion or deletion of nodes and edge-weight changes over time, it also allows efficient online updates that produce the same results as of the batch update counterparts.

Pd-Catalyzed N-Arylation of Secondary Acyclic Amides: Catalyst Development, Scope, and Computational Study

Science.gov (United States)

Hicks, Jacqueline D.; Hyde, Alan M.; Cuezva, Alberto Martinez; Buchwald, Stephen L.

2009-01-01

We report the efficient N-arylation of acyclic secondary amides and related nucleophiles with aryl nonaflates, triflates, and chlorides. This method allows for easy variation of the aromatic component in tertiary aryl amides. A new biaryl phosphine with P-bound 3,5-(bis)trifluoromethylphenyl groups was found to be uniquely effective for this amidation. The critical aspects of the ligand were explored through synthetic, mechanistic, and computational studies. Systematic variation of the ligand revealed the importance of (1) a methoxy group on the aromatic carbon of the “top ring” ortho to the phosphorus and (2) two highly electron-withdrawing P-bound 3,5-(bis)trifluoromethylphenyl groups. Computational studies suggest the electron-deficient nature of the ligand is important in facilitating amide binding to the LPd(II)(Ph)(X) intermediate. PMID:19886610

High-performance analysis of filtered semantic graphs

OpenAIRE

Buluç, A; Fox, A; Gilbert, JR; Kamil, S; Lugowski, A; Oliker, L; Williams, S

2012-01-01

High performance is a crucial consideration when executing a complex analytic query on a massive semantic graph. In a semantic graph, vertices and edges carry \\attributes" of various types. Analytic queries on semantic graphs typically depend on the values of these attributes; thus, the computation must either view the graph through a filter that passes only those individual vertices and edges of interest, or else must first materialize a subgraph or subgraphs consisting of only the vertices ...

Bond graph modeling of centrifugal compression systems

OpenAIRE

Uddin, Nur; Gravdahl, Jan Tommy

2015-01-01

A novel approach to model unsteady fluid dynamics in a compressor network by using a bond graph is presented. The model is intended in particular for compressor control system development. First, we develop a bond graph model of a single compression system. Bond graph modeling offers a different perspective to previous work by modeling the compression system based on energy flow instead of fluid dynamics. Analyzing the bond graph model explains the energy flow during compressor surge. Two pri...

On the local edge antimagicness of m-splitting graphs

Science.gov (United States)

Albirri, E. R.; Dafik; Slamin; Agustin, I. H.; Alfarisi, R.

2018-04-01

Let G be a connected and simple graph. A split graph is a graph derived by adding new vertex v‧ in every vertex v‧ such that v‧ adjacent to v in graph G. An m-splitting graph is a graph which has m v‧-vertices, denoted by mSpl(G). A local edge antimagic coloring in G = (V, E) graph is a bijection f:V (G)\\to \\{1,2,3,\\ldots,|V(G)|\\} in which for any two adjacent edges e 1 and e 2 satisfies w({e}1)\

Augmented marked graphs

CERN Document Server

Cheung, King Sing

2014-01-01

Petri nets are a formal and theoretically rich model for the modelling and analysis of systems. A subclass of Petri nets, augmented marked graphs possess a structure that is especially desirable for the modelling and analysis of systems with concurrent processes and shared resources.This monograph consists of three parts: Part I provides the conceptual background for readers who have no prior knowledge on Petri nets; Part II elaborates the theory of augmented marked graphs; finally, Part III discusses the application to system integration. The book is suitable as a first self-contained volume

Co-Roman domination in graphs

Indian Academy of Sciences (India)

1National Centre for Advanced Research in Discrete Mathematics ... 3Department of Computer Science, Ball State University, Muncie, IN, USA .... The corona of two disjoint graphs G1 and G2 is defined to be the graph G = G1 ◦ G2,.

Nested Dynamic Condition Response Graphs

DEFF Research Database (Denmark)

Hildebrandt, Thomas; Mukkamala, Raghava Rao; Slaats, Tijs

2012-01-01

We present an extension of the recently introduced declarative process model Dynamic Condition Response Graphs ( DCR Graphs) to allow nested subgraphs and a new milestone relation between events. The extension was developed during a case study carried out jointly with our industrial partner...

A cluster algorithm for graphs

NARCIS (Netherlands)

S. van Dongen

2000-01-01

textabstractA cluster algorithm for graphs called the emph{Markov Cluster algorithm (MCL~algorithm) is introduced. The algorithm provides basically an interface to an algebraic process defined on stochastic matrices, called the MCL~process. The graphs may be both weighted (with nonnegative weight)

Generating random networks and graphs

CERN Document Server

Coolen, Ton; Roberts, Ekaterina

2017-01-01

This book supports researchers who need to generate random networks, or who are interested in the theoretical study of random graphs. The coverage includes exponential random graphs (where the targeted probability of each network appearing in the ensemble is specified), growth algorithms (i.e. preferential attachment and the stub-joining configuration model), special constructions (e.g. geometric graphs and Watts Strogatz models) and graphs on structured spaces (e.g. multiplex networks). The presentation aims to be a complete starting point, including details of both theory and implementation, as well as discussions of the main strengths and weaknesses of each approach. It includes extensive references for readers wishing to go further. The material is carefully structured to be accessible to researchers from all disciplines while also containing rigorous mathematical analysis (largely based on the techniques of statistical mechanics) to support those wishing to further develop or implement the theory of rand...

On the Recognition of Fuzzy Circular Interval Graphs

OpenAIRE

Oriolo, Gianpaolo; Pietropaoli, Ugo; Stauffer, Gautier

2011-01-01

Fuzzy circular interval graphs are a generalization of proper circular arc graphs and have been recently introduced by Chudnovsky and Seymour as a fundamental subclass of claw-free graphs. In this paper, we provide a polynomial-time algorithm for recognizing such graphs, and more importantly for building a suitable representation.

The Thickness of Amalgamations and Cartesian Product of Graphs

Directory of Open Access Journals (Sweden)

Yang Yan

2017-08-01

Full Text Available The thickness of a graph is the minimum number of planar spanning subgraphs into which the graph can be decomposed. It is a measurement of the closeness to the planarity of a graph, and it also has important applications to VLSI design, but it has been known for only few graphs. We obtain the thickness of vertex-amalgamation and bar-amalgamation of graphs, the lower and upper bounds for the thickness of edge-amalgamation and 2-vertex-amalgamation of graphs, respectively. We also study the thickness of Cartesian product of graphs, and by using operations on graphs, we derive the thickness of the Cartesian product Kn □ Pm for most values of m and n.

Generating Realistic Labelled, Weighted Random Graphs

Directory of Open Access Journals (Sweden)

Michael Charles Davis

2015-12-01

Full Text Available Generative algorithms for random graphs have yielded insights into the structure and evolution of real-world networks. Most networks exhibit a well-known set of properties, such as heavy-tailed degree distributions, clustering and community formation. Usually, random graph models consider only structural information, but many real-world networks also have labelled vertices and weighted edges. In this paper, we present a generative model for random graphs with discrete vertex labels and numeric edge weights. The weights are represented as a set of Beta Mixture Models (BMMs with an arbitrary number of mixtures, which are learned from real-world networks. We propose a Bayesian Variational Inference (VI approach, which yields an accurate estimation while keeping computation times tractable. We compare our approach to state-of-the-art random labelled graph generators and an earlier approach based on Gaussian Mixture Models (GMMs. Our results allow us to draw conclusions about the contribution of vertex labels and edge weights to graph structure.

On The Roman Domination Stable Graphs

Directory of Open Access Journals (Sweden)

Hajian Majid

2017-11-01

Full Text Available A Roman dominating function (or just RDF on a graph G = (V,E is a function f : V → {0, 1, 2} satisfying the condition that every vertex u for which f(u = 0 is adjacent to at least one vertex v for which f(v = 2. The weight of an RDF f is the value f(V (G = Pu2V (G f(u. The Roman domination number of a graph G, denoted by R(G, is the minimum weight of a Roman dominating function on G. A graph G is Roman domination stable if the Roman domination number of G remains unchanged under removal of any vertex. In this paper we present upper bounds for the Roman domination number in the class of Roman domination stable graphs, improving bounds posed in [V. Samodivkin, Roman domination in graphs: the class RUV R, Discrete Math. Algorithms Appl. 8 (2016 1650049].

Disease management research using event graphs.

Science.gov (United States)

Allore, H G; Schruben, L W

2000-08-01

Event Graphs, conditional representations of stochastic relationships between discrete events, simulate disease dynamics. In this paper, we demonstrate how Event Graphs, at an appropriate abstraction level, also extend and organize scientific knowledge about diseases. They can identify promising treatment strategies and directions for further research and provide enough detail for testing combinations of new medicines and interventions. Event Graphs can be enriched to incorporate and validate data and test new theories to reflect an expanding dynamic scientific knowledge base and establish performance criteria for the economic viability of new treatments. To illustrate, an Event Graph is developed for mastitis, a costly dairy cattle disease, for which extensive scientific literature exists. With only a modest amount of imagination, the methodology presented here can be seen to apply modeling to any disease, human, plant, or animal. The Event Graph simulation presented here is currently being used in research and in a new veterinary epidemiology course. Copyright 2000 Academic Press.

Measuring Two-Event Structural Correlations on Graphs

Science.gov (United States)

2012-08-01

2012 to 00-00-2012 4. TITLE AND SUBTITLE Measuring Two-Event Structural Correlations on Graphs 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ...by event simulation on the DBLP graph. Then we examine the efficiency and scala - bility of the framework with a Twitter network. The third part of...correlation pattern mining for large graphs. In Proc. of the 8th Workshop on Mining and Learning with Graphs, pages 119–126, 2010. [23] T. Smith. A

Reconstructing Nearly Simple Polytopes from their Graph

OpenAIRE

Doolittle, Joseph

2017-01-01

We present a partial description of which polytopes are reconstructible from their graphs. This is an extension of work by Blind and Mani (1987) and Kalai (1988), which showed that simple polytopes can be reconstructed from their graphs. In particular, we introduce a notion of $h$-nearly simple and prove that 1-nearly simple and 2-nearly simple polytopes are reconstructible from their graphs. We also give an example of a 3-nearly simple polytope which is not reconstructible from its graph. Fu...

Hierarchical organisation of causal graphs

International Nuclear Information System (INIS)

Dziopa, P.

1993-01-01

This paper deals with the design of a supervision system using a hierarchy of models formed by graphs, in which the variables are the nodes and the causal relations between the variables of the arcs. To obtain a representation of the variables evolutions which contains only the relevant features of their real evolutions, the causal relations are completed with qualitative transfer functions (QTFs) which produce roughly the behaviour of the classical transfer functions. Major improvements have been made in the building of the hierarchical organization. First, the basic variables of the uppermost level and the causal relations between them are chosen. The next graph is built by adding intermediary variables to the upper graph. When the undermost graph has been built, the transfer functions parameters corresponding to its causal relations are identified. The second task consists in the upwelling of the information from the undermost graph to the uppermost one. A fusion procedure of the causal relations has been designed to compute the QFTs relevant for each level. This procedure aims to reduce the number of parameters needed to represent an evolution at a high level of abstraction. These techniques have been applied to the hierarchical modelling of nuclear process. (authors). 8 refs., 12 figs

Graph Transformation Semantics for a QVT Language

NARCIS (Netherlands)

Rensink, Arend; Nederpel, Ronald; Bruni, Roberto; Varró, Dániel

It has been claimed by many in the graph transformation community that model transformation, as understood in the context of Model Driven Architecture, can be seen as an application of graph transformation. In this paper we substantiate this claim by giving a graph transformation-based semantics to

Modeling Software Evolution using Algebraic Graph Rewriting

NARCIS (Netherlands)

Ciraci, Selim; van den Broek, Pim

We show how evolution requests can be formalized using algebraic graph rewriting. In particular, we present a way to convert the UML class diagrams to colored graphs. Since changes in software may effect the relation between the methods of classes, our colored graph representation also employs the

Cycles in weighted graphs and related topics

NARCIS (Netherlands)

Zhang, Shenggui

2002-01-01

This thesis contains results on paths andcycles in graphs andon a more or less relatedtopic, the vulnerability of graphs. In the first part of the thesis, Chapters 2 through 5, we concentrate on paths andcycles in weightedgraphs. A number of sufficient conditions are presentedfor graphs to contain

Engineering Object-Oriented Semantics Using Graph Transformations

NARCIS (Netherlands)

Kastenberg, H.; Kleppe, A.G.; Rensink, Arend

In this paper we describe the application of the theory of graph transformations to the practise of language design. We have defined the semantics of a small but realistic object-oriented language (called TAAL) by mapping the language constructs to graphs and their operational semantics to graph

Probabilistic Graph Layout for Uncertain Network Visualization.

Science.gov (United States)

Schulz, Christoph; Nocaj, Arlind; Goertler, Jochen; Deussen, Oliver; Brandes, Ulrik; Weiskopf, Daniel

2017-01-01

We present a novel uncertain network visualization technique based on node-link diagrams. Nodes expand spatially in our probabilistic graph layout, depending on the underlying probability distributions of edges. The visualization is created by computing a two-dimensional graph embedding that combines samples from the probabilistic graph. A Monte Carlo process is used to decompose a probabilistic graph into its possible instances and to continue with our graph layout technique. Splatting and edge bundling are used to visualize point clouds and network topology. The results provide insights into probability distributions for the entire network-not only for individual nodes and edges. We validate our approach using three data sets that represent a wide range of network types: synthetic data, protein-protein interactions from the STRING database, and travel times extracted from Google Maps. Our approach reveals general limitations of the force-directed layout and allows the user to recognize that some nodes of the graph are at a specific position just by chance.

Optimizing graph algorithms on pregel-like systems

KAUST Repository

Salihoglu, Semih

2014-03-01

We study the problem of implementing graph algorithms efficiently on Pregel-like systems, which can be surprisingly challenging. Standard graph algorithms in this setting can incur unnecessary inefficiencies such as slow convergence or high communication or computation cost, typically due to structural properties of the input graphs such as large diameters or skew in component sizes. We describe several optimization techniques to address these inefficiencies. Our most general technique is based on the idea of performing some serial computation on a tiny fraction of the input graph, complementing Pregel\\'s vertex-centric parallelism. We base our study on thorough implementations of several fundamental graph algorithms, some of which have, to the best of our knowledge, not been implemented on Pregel-like systems before. The algorithms and optimizations we describe are fully implemented in our open-source Pregel implementation. We present detailed experiments showing that our optimization techniques improve runtime significantly on a variety of very large graph datasets.

Automorphism group of the modified bubble-sort graph

OpenAIRE

Ganesan, Ashwin

2014-01-01

The modified bubble-sort graph of dimension $n$ is the Cayley graph of $S_n$ generated by $n$ cyclically adjacent transpositions. In the present paper, it is shown that the automorphism group of the modified bubble sort graph of dimension $n$ is $S_n \\times D_{2n}$, for all $n \\ge 5$. Thus, a complete structural description of the automorphism group of the modified bubble-sort graph is obtained. A similar direct product decomposition is seen to hold for arbitrary normal Cayley graphs generate...

Total dominator chromatic number of a graph

Directory of Open Access Journals (Sweden)

Adel P. Kazemi

2015-06-01

Full Text Available Given a graph $G$, the total dominator coloring problem seeks a proper coloring of $G$ with the additional property that every vertex in the graph is adjacent to all vertices of a color class. We seek to minimize the number of color classes. We initiate to study this problem on several classes of graphs, as well as finding general bounds and characterizations. We also compare the total dominator chromatic number of a graph with the chromatic number and the total domination number of it.

Khovanov-Rozansky Graph Homology and Composition Product

DEFF Research Database (Denmark)

Wagner, Emmanuel

2008-01-01

In analogy with a recursive formula for the HOMFLY-PT polynomial of links given by Jaeger, we give a recursive formula for the graph polynomial introduced by Kauffman and Vogel. We show how this formula extends to the Khovanov–Rozansky graph homology.......In analogy with a recursive formula for the HOMFLY-PT polynomial of links given by Jaeger, we give a recursive formula for the graph polynomial introduced by Kauffman and Vogel. We show how this formula extends to the Khovanov–Rozansky graph homology....

Graph-based clustering and data visualization algorithms

CERN Document Server

Vathy-Fogarassy, Ágnes

2013-01-01

This work presents a data visualization technique that combines graph-based topology representation and dimensionality reduction methods to visualize the intrinsic data structure in a low-dimensional vector space. The application of graphs in clustering and visualization has several advantages. A graph of important edges (where edges characterize relations and weights represent similarities or distances) provides a compact representation of the entire complex data set. This text describes clustering and visualization methods that are able to utilize information hidden in these graphs, based on

Incremental View Maintenance for Deductive Graph Databases Using Generalized Discrimination Networks

Directory of Open Access Journals (Sweden)

Thomas Beyhl

2016-12-01

Full Text Available Nowadays, graph databases are employed when relationships between entities are in the scope of database queries to avoid performance-critical join operations of relational databases. Graph queries are used to query and modify graphs stored in graph databases. Graph queries employ graph pattern matching that is NP-complete for subgraph isomorphism. Graph database views can be employed that keep ready answers in terms of precalculated graph pattern matches for often stated and complex graph queries to increase query performance. However, such graph database views must be kept consistent with the graphs stored in the graph database. In this paper, we describe how to use incremental graph pattern matching as technique for maintaining graph database views. We present an incremental maintenance algorithm for graph database views, which works for imperatively and declaratively specified graph queries. The evaluation shows that our maintenance algorithm scales when the number of nodes and edges stored in the graph database increases. Furthermore, our evaluation shows that our approach can outperform existing approaches for the incremental maintenance of graph query results.

On a Fuzzy Algebra for Querying Graph Databases

OpenAIRE

Pivert , Olivier; Thion , Virginie; Jaudoin , Hélène; Smits , Grégory

2014-01-01

International audience; This paper proposes a notion of fuzzy graph database and describes a fuzzy query algebra that makes it possible to handle such database, which may be fuzzy or not, in a flexible way. The algebra, based on fuzzy set theory and the concept of a fuzzy graph, is composed of a set of operators that can be used to express preference queries on fuzzy graph databases. The preferences concern i) the content of the vertices of the graph and ii) the structure of the graph. In a s...

Graphs of groups on surfaces interactions and models

CERN Document Server

White, AT

2001-01-01

The book, suitable as both an introductory reference and as a text book in the rapidly growing field of topological graph theory, models both maps (as in map-coloring problems) and groups by means of graph imbeddings on sufaces. Automorphism groups of both graphs and maps are studied. In addition connections are made to other areas of mathematics, such as hypergraphs, block designs, finite geometries, and finite fields. There are chapters on the emerging subfields of enumerative topological graph theory and random topological graph theory, as well as a chapter on the composition of English

A Type Graph Model for Java Programs

NARCIS (Netherlands)

Rensink, Arend; Zambon, Eduardo

2009-01-01

In this report we present a type graph that models all executable constructs of the Java programming language. Such a model is useful for any graph-based technique that relies on a representation of Java programs as graphs. The model can be regarded as a common representation to which all Java

Mutual proximity graphs for improved reachability in music recommendation.

Science.gov (United States)

Flexer, Arthur; Stevens, Jeff

2018-01-01

This paper is concerned with the impact of hubness, a general problem of machine learning in high-dimensional spaces, on a real-world music recommendation system based on visualisation of a k-nearest neighbour (knn) graph. Due to a problem of measuring distances in high dimensions, hub objects are recommended over and over again while anti-hubs are nonexistent in recommendation lists, resulting in poor reachability of the music catalogue. We present mutual proximity graphs, which are an alternative to knn and mutual knn graphs, and are able to avoid hub vertices having abnormally high connectivity. We show that mutual proximity graphs yield much better graph connectivity resulting in improved reachability compared to knn graphs, mutual knn graphs and mutual knn graphs enhanced with minimum spanning trees, while simultaneously reducing the negative effects of hubness.

Efficient dynamic graph construction for inductive semi-supervised learning.

Science.gov (United States)

Dornaika, F; Dahbi, R; Bosaghzadeh, A; Ruichek, Y

2017-10-01

Most of graph construction techniques assume a transductive setting in which the whole data collection is available at construction time. Addressing graph construction for inductive setting, in which data are coming sequentially, has received much less attention. For inductive settings, constructing the graph from scratch can be very time consuming. This paper introduces a generic framework that is able to make any graph construction method incremental. This framework yields an efficient and dynamic graph construction method that adds new samples (labeled or unlabeled) to a previously constructed graph. As a case study, we use the recently proposed Two Phase Weighted Regularized Least Square (TPWRLS) graph construction method. The paper has two main contributions. First, we use the TPWRLS coding scheme to represent new sample(s) with respect to an existing database. The representative coefficients are then used to update the graph affinity matrix. The proposed method not only appends the new samples to the graph but also updates the whole graph structure by discovering which nodes are affected by the introduction of new samples and by updating their edge weights. The second contribution of the article is the application of the proposed framework to the problem of graph-based label propagation using multiple observations for vision-based recognition tasks. Experiments on several image databases show that, without any significant loss in the accuracy of the final classification, the proposed dynamic graph construction is more efficient than the batch graph construction. Copyright © 2017 Elsevier Ltd. All rights reserved.

Coloring geographical threshold graphs

Energy Technology Data Exchange (ETDEWEB)

Bradonjic, Milan [Los Alamos National Laboratory; Percus, Allon [Los Alamos National Laboratory; Muller, Tobias [EINDHOVEN UNIV. OF TECH

2008-01-01

We propose a coloring algorithm for sparse random graphs generated by the geographical threshold graph (GTG) model, a generalization of random geometric graphs (RGG). In a GTG, nodes are distributed in a Euclidean space, and edges are assigned according to a threshold function involving the distance between nodes as well as randomly chosen node weights. The motivation for analyzing this model is that many real networks (e.g., wireless networks, the Internet, etc.) need to be studied by using a 'richer' stochastic model (which in this case includes both a distance between nodes and weights on the nodes). Here, we analyze the GTG coloring algorithm together with the graph's clique number, showing formally that in spite of the differences in structure between GTG and RGG, the asymptotic behavior of the chromatic number is identical: {chi}1n 1n n / 1n n (1 + {omicron}(1)). Finally, we consider the leading corrections to this expression, again using the coloring algorithm and clique number to provide bounds on the chromatic number. We show that the gap between the lower and upper bound is within C 1n n / (1n 1n n){sup 2}, and specify the constant C.

A Reduction of the Graph Reconstruction Conjecture

Directory of Open Access Journals (Sweden)

Monikandan S.

2014-08-01

Full Text Available A graph is said to be reconstructible if it is determined up to isomor- phism from the collection of all its one-vertex deleted unlabeled subgraphs. Reconstruction Conjecture (RC asserts that all graphs on at least three vertices are reconstructible. In this paper, we prove that interval-regular graphs and some new classes of graphs are reconstructible and show that RC is true if and only if all non-geodetic and non-interval-regular blocks G with diam(G = 2 or diam(Ḡ = diam(G = 3 are reconstructible

Quantum Graphs And Their Resonance Properties

International Nuclear Information System (INIS)

Lipovsky, J.

2016-01-01

In the current review, we study the model of quantum graphs. We focus mainly on the resonance properties of quantum graphs. We define resolvent and scattering resonances and show their equivalence. We present various results on the asymptotics of the number of resolvent resonances in both non-magnetic and magnetic quantum graphs and find bounds on the coefficient by the leading term of the asymptotics. We explain methods how to find the spectral and resonance condition. Most of the notions and theorems are illustrated in examples. We show how to find resonances numerically and, in a simple example, we find trajectories of resonances in the complex plane. We discuss Fermi’s golden rule for quantum graphs and distribution of the mean intensity for the topological resonances. (author)

Determining X-chains in graph states

International Nuclear Information System (INIS)

Wu, Jun-Yi; Kampermann, Hermann; Bruß, Dagmar

2016-01-01

The representation of graph states in the X-basis as well as the calculation of graph state overlaps can efficiently be performed by using the concept of X-chains (Wu et al 2015 Phys. Rev. A 92 012322). We present a necessary and sufficient criterion for X-chains and show that they can efficiently be determined by the Bareiss algorithm. An analytical approach for searching X-chain groups of a graph state is proposed. Furthermore we generalize the concept of X-chains to so-called Euler chains, whose induced subgraphs are Eulerian. This approach helps to determine if a given vertex set is an X-chain and we show how Euler chains can be used in the construction of multipartite Bell inequalities for graph states. (paper)

Fixation probability on clique-based graphs

Science.gov (United States)

Choi, Jeong-Ok; Yu, Unjong

2018-02-01

The fixation probability of a mutant in the evolutionary dynamics of Moran process is calculated by the Monte-Carlo method on a few families of clique-based graphs. It is shown that the complete suppression of fixation can be realized with the generalized clique-wheel graph in the limit of small wheel-clique ratio and infinite size. The family of clique-star is an amplifier, and clique-arms graph changes from amplifier to suppressor as the fitness of the mutant increases. We demonstrate that the overall structure of a graph can be more important to determine the fixation probability than the degree or the heat heterogeneity. The dependence of the fixation probability on the position of the first mutant is discussed.

Molecular structure and conformation of two acyclic polythioethers: Implications for the design of heavy metal chelators

Energy Technology Data Exchange (ETDEWEB)

Desper, J.M.; Powell, D.R.; Gellman, S.H. (Univ. of Wisconsin, Madison (USA))

1990-05-23

The crystal structures of the 1,9-bis(p-tolyl)-2,5,8-trithianonane (1) and 1,12-bis(p-tolyl)-2,5,8,11-tetrathiadodecane (2) are reported. Previous studies of macrocyclic polythioethers have revealed a pronounced tendency for backbone CS-CC bonds to adopt gauche torsion angles. The same tendency is observed in the homologous acyclic polythioethers 1 and 2, demonstrating that the gauche preference is not simply the result of a macrocyclic constraint. Because of this gauche preference of CS-CC torsion units and the well-established anti preference of SC-CS torsion units, polythioethers constructed from ethylene sulfide subunits are generally far from preorganized for metal ion chelation.

Steiner Distance in Graphs--A Survey

OpenAIRE

Mao, Yaping

2017-01-01

For a connected graph $G$ of order at least $2$ and $S\\subseteq V(G)$, the \\emph{Steiner distance} $d_G(S)$ among the vertices of $S$ is the minimum size among all connected subgraphs whose vertex sets contain $S$. In this paper, we summarize the known results on the Steiner distance parameters, including Steiner distance, Steiner diameter, Steiner center, Steiner median, Steiner interval, Steiner distance hereditary graph, Steiner distance stable graph, average Steiner distance, and Steiner ...

Girth 5 graphs from relative difference sets

DEFF Research Database (Denmark)

Jørgensen, Leif Kjær

2005-01-01

We consider the problem of construction of graphs with given degree $k$ and girth 5 and as few vertices as possible. We give a construction of a family of girth 5 graphs based on relative difference sets. This family contains the smallest known graph of degree 8 and girth 5 which was constructed ...

A Type Graph Model for Java Programs

NARCIS (Netherlands)

Rensink, Arend; Zambon, Eduardo; Lee, D.; Lopes, A.; Poetzsch-Heffter, A.

2009-01-01

In this work we present a type graph that models all executable constructs of the Java programming language. Such a model is useful for any graph-based technique that relies on a representation of Java programs as graphs. The model can be regarded as a common representation to which all Java syntax

Analyzing locomotion synthesis with feature-based motion graphs.

Science.gov (United States)

Mahmudi, Mentar; Kallmann, Marcelo

2013-05-01

We propose feature-based motion graphs for realistic locomotion synthesis among obstacles. Among several advantages, feature-based motion graphs achieve improved results in search queries, eliminate the need of postprocessing for foot skating removal, and reduce the computational requirements in comparison to traditional motion graphs. Our contributions are threefold. First, we show that choosing transitions based on relevant features significantly reduces graph construction time and leads to improved search performances. Second, we employ a fast channel search method that confines the motion graph search to a free channel with guaranteed clearance among obstacles, achieving faster and improved results that avoid expensive collision checking. Lastly, we present a motion deformation model based on Inverse Kinematics applied over the transitions of a solution branch. Each transition is assigned a continuous deformation range that does not exceed the original transition cost threshold specified by the user for the graph construction. The obtained deformation improves the reachability of the feature-based motion graph and in turn also reduces the time spent during search. The results obtained by the proposed methods are evaluated and quantified, and they demonstrate significant improvements in comparison to traditional motion graph techniques.

Supporting Fourth Graders' Ability to Interpret Graphs through Real-Time Graphing Technology: A Preliminary Study

Science.gov (United States)

Deniz, Hasan; Dulger, Mehmet F.

2012-01-01

This study examined to what extent inquiry-based instruction supported with real-time graphing technology improves fourth grader's ability to interpret graphs as representations of physical science concepts such as motion and temperature. This study also examined whether there is any difference between inquiry-based instruction supported with…

Torsional rigidity, isospectrality and quantum graphs

International Nuclear Information System (INIS)

Colladay, Don; McDonald, Patrick; Kaganovskiy, Leon

2017-01-01

We study torsional rigidity for graph and quantum graph analogs of well-known pairs of isospectral non-isometric planar domains. We prove that such isospectral pairs are distinguished by torsional rigidity. (paper)

Joint Graph Layouts for Visualizing Collections of Segmented Meshes

KAUST Repository

Ren, Jing

2017-09-12

We present a novel and efficient approach for computing joint graph layouts and then use it to visualize collections of segmented meshes. Our joint graph layout algorithm takes as input the adjacency matrices for a set of graphs along with partial, possibly soft, correspondences between nodes of different graphs. We then use a two stage procedure, where in the first step, we extend spectral graph drawing to include a consistency term so that a collection of graphs can be handled jointly. Our second step extends metric multi-dimensional scaling with stress majorization to the joint layout setting, while using the output of the spectral approach as initialization. Further, we discuss a user interface for exploring a collection of graphs. Finally, we show multiple example visualizations of graphs stemming from collections of segmented meshes and we present qualitative and quantitative comparisons with previous work.

Joint Graph Layouts for Visualizing Collections of Segmented Meshes

KAUST Repository

Ren, Jing; Schneider, Jens; Ovsjanikov, Maks; Wonka, Peter

2017-01-01

We present a novel and efficient approach for computing joint graph layouts and then use it to visualize collections of segmented meshes. Our joint graph layout algorithm takes as input the adjacency matrices for a set of graphs along with partial, possibly soft, correspondences between nodes of different graphs. We then use a two stage procedure, where in the first step, we extend spectral graph drawing to include a consistency term so that a collection of graphs can be handled jointly. Our second step extends metric multi-dimensional scaling with stress majorization to the joint layout setting, while using the output of the spectral approach as initialization. Further, we discuss a user interface for exploring a collection of graphs. Finally, we show multiple example visualizations of graphs stemming from collections of segmented meshes and we present qualitative and quantitative comparisons with previous work.

Learning a Nonnegative Sparse Graph for Linear Regression.

Science.gov (United States)

Fang, Xiaozhao; Xu, Yong; Li, Xuelong; Lai, Zhihui; Wong, Wai Keung

2015-09-01

Previous graph-based semisupervised learning (G-SSL) methods have the following drawbacks: 1) they usually predefine the graph structure and then use it to perform label prediction, which cannot guarantee an overall optimum and 2) they only focus on the label prediction or the graph structure construction but are not competent in handling new samples. To this end, a novel nonnegative sparse graph (NNSG) learning method was first proposed. Then, both the label prediction and projection learning were integrated into linear regression. Finally, the linear regression and graph structure learning were unified within the same framework to overcome these two drawbacks. Therefore, a novel method, named learning a NNSG for linear regression was presented, in which the linear regression and graph learning were simultaneously performed to guarantee an overall optimum. In the learning process, the label information can be accurately propagated via the graph structure so that the linear regression can learn a discriminative projection to better fit sample labels and accurately classify new samples. An effective algorithm was designed to solve the corresponding optimization problem with fast convergence. Furthermore, NNSG provides a unified perceptiveness for a number of graph-based learning methods and linear regression methods. The experimental results showed that NNSG can obtain very high classification accuracy and greatly outperforms conventional G-SSL methods, especially some conventional graph construction methods.

GRAMI: Generalized Frequent Subgraph Mining in Large Graphs

KAUST Repository

El Saeedy, Mohammed El Sayed

2011-07-24

Mining frequent subgraphs is an important operation on graphs. Most existing work assumes a database of many small graphs, but modern applications, such as social networks, citation graphs or protein-protein interaction in bioinformatics, are modeled as a single large graph. Interesting interactions in such applications may be transitive (e.g., friend of a friend). Existing methods, however, search for frequent isomorphic (i.e., exact match) subgraphs and cannot discover many useful patterns. In this paper we propose GRAMI, a framework that generalizes frequent subgraph mining in a large single graph. GRAMI discovers frequent patterns. A pattern is a graph where edges are generalized to distance-constrained paths. Depending on the definition of the distance function, many instantiations of the framework are possible. Both directed and undirected graphs, as well as multiple labels per vertex, are supported. We developed an efficient implementation of the framework that models the frequency resolution phase as a constraint satisfaction problem, in order to avoid the costly enumeration of all instances of each pattern in the graph. We also implemented CGRAMI, a version that supports structural and semantic constraints; and AGRAMI, an approximate version that supports very large graphs. Our experiments on real data demonstrate that our framework is up to 3 orders of magnitude faster and discovers more interesting patterns than existing approaches.

Girth 5 graphs from relative difference sets

DEFF Research Database (Denmark)

Jørgensen, Leif Kjær

We consider the problem of construction of graphs with given degree and girth 5 and as few vertices as possible. We give a construction of a family of girth 5 graphs based on relative difference sets. This family contains the smallest known graph of degree 8 and girth 5 which was constructed by G...

A Characterization of 2-Tree Probe Interval Graphs

Directory of Open Access Journals (Sweden)

Brown David E.

2014-08-01

Full Text Available A graph is a probe interval graph if its vertices correspond to some set of intervals of the real line and can be partitioned into sets P and N so that vertices are adjacent if and only if their corresponding intervals intersect and at least one belongs to P. We characterize the 2-trees which are probe interval graphs and extend a list of forbidden induced subgraphs for such graphs created by Pržulj and Corneil in [2-tree probe interval graphs have a large obstruction set, Discrete Appl. Math. 150 (2005 216-231

A distributed query execution engine of big attributed graphs.

Science.gov (United States)

Batarfi, Omar; Elshawi, Radwa; Fayoumi, Ayman; Barnawi, Ahmed; Sakr, Sherif

2016-01-01

A graph is a popular data model that has become pervasively used for modeling structural relationships between objects. In practice, in many real-world graphs, the graph vertices and edges need to be associated with descriptive attributes. Such type of graphs are referred to as attributed graphs. G-SPARQL has been proposed as an expressive language, with a centralized execution engine, for querying attributed graphs. G-SPARQL supports various types of graph querying operations including reachability, pattern matching and shortest path where any G-SPARQL query may include value-based predicates on the descriptive information (attributes) of the graph edges/vertices in addition to the structural predicates. In general, a main limitation of centralized systems is that their vertical scalability is always restricted by the physical limits of computer systems. This article describes the design, implementation in addition to the performance evaluation of DG-SPARQL, a distributed, hybrid and adaptive parallel execution engine of G-SPARQL queries. In this engine, the topology of the graph is distributed over the main memory of the underlying nodes while the graph data are maintained in a relational store which is replicated on the disk of each of the underlying nodes. DG-SPARQL evaluates parts of the query plan via SQL queries which are pushed to the underlying relational stores while other parts of the query plan, as necessary, are evaluated via indexless memory-based graph traversal algorithms. Our experimental evaluation shows the efficiency and the scalability of DG-SPARQL on querying massive attributed graph datasets in addition to its ability to outperform the performance of Apache Giraph, a popular distributed graph processing system, by orders of magnitudes.

Polystyrene-Supported Acyclic Diaminocarbene Palladium Complexes in Sonogashira Cross-Coupling: Stability vs. Catalytic Activity

Directory of Open Access Journals (Sweden)

Vladimir N. Mikhaylov

2018-04-01

Full Text Available Two types of immobilized on the amino-functionalized polystyrene-supported acyclic diaminocarbene palladium complexes (ADC-PdII are investigated under Sonogashira cross-coupling conditions. Depending on substituents in the diaminocarbene fragment immobilized ADC-PdII, systems are found to have different catalytic activity and stability regarding Pd-leaching. PdII-diaminocarbenes possessing protons at both nitrogen atoms smoothly decompose into Pd0-containing species providing a catalytic “cocktail system” with high activity and ability to reuse within nine runs. Polymer-supported palladium (II complex bearing NBn–Ccarbene–NH-moiety exhibits greater stability while noticeably lower activity under Sonogashira cross-coupling. Four molecular ADC-PdII complexes are also synthesized and investigated with the aim of confirming proposed base-promoted pathway of ADC-PdII conversion through carbodiimide into an active Pd0 forms.

Interval Routing and Minor-Monotone Graph Parameters

NARCIS (Netherlands)

Bakker, E.M.; Bodlaender, H.L.; Tan, R.B.; Leeuwen, J. van

2006-01-01

We survey a number of minor-monotone graph parameters and their relationship to the complexity of routing on graphs. In particular we compare the interval routing parameters κslir(G) and κsir(G) with Colin de Verdi`ere’s graph invariant μ(G) and its variants λ(G) and κ(G). We show that for all the

Alliances and Bisection Width for Planar Graphs

DEFF Research Database (Denmark)

Olsen, Martin; Revsbæk, Morten

2013-01-01

An alliance in a graph is a set of vertices (allies) such that each vertex in the alliance has at least as many allies (counting the vertex itself) as non-allies in its neighborhood of the graph. We show that any planar graph with minimum degree at least 4 can be split into two alliances in polyn...

A new characterization of trivially perfect graphs

Directory of Open Access Journals (Sweden)

Christian Rubio Montiel

2015-03-01

Full Text Available A graph $G$ is \\emph{trivially perfect} if for every induced subgraph the cardinality of the largest set of pairwise nonadjacent vertices (the stability number $\\alpha(G$ equals the number of (maximal cliques $m(G$. We characterize the trivially perfect graphs in terms of vertex-coloring and we extend some definitions to infinite graphs.

Improper colouring of (random) unit disk graphs

NARCIS (Netherlands)

Kang, R.J.; Müller, T.; Sereni, J.S.

2008-01-01

For any graph G, the k-improper chromatic number ¿k(G) is the smallest number of colours used in a colouring of G such that each colour class induces a subgraph of maximum degree k. We investigate ¿k for unit disk graphs and random unit disk graphs to generalise results of McDiarmid and Reed

Three Syntactic Theories for Combinatory Graph Reduction

DEFF Research Database (Denmark)

Danvy, Olivier; Zerny, Ian

2011-01-01

in a third syntactic theory. The structure of the store-based abstract machine corresponding to this third syntactic theory oincides with that of Turner's original reduction machine. The three syntactic theories presented here The three syntactic heories presented here therefore have the following......We present a purely syntactic theory of graph reduction for the canonical combinators S, K, and I, where graph vertices are represented with evaluation contexts and let expressions. We express this syntactic theory as a reduction semantics, which we refocus into the first storeless abstract machine...... for combinatory graph reduction, which we refunctionalize into the first storeless natural semantics for combinatory graph reduction.We then factor out the introduction of let expressions to denote as many graph vertices as possible upfront instead of on demand, resulting in a second syntactic theory, this one...

Three Syntactic Theories for Combinatory Graph Reduction

DEFF Research Database (Denmark)

Danvy, Olivier; Zerny, Ian

2013-01-01

, as a store-based reduction semantics of combinatory term graphs. We then refocus this store-based reduction semantics into a store-based abstract machine. The architecture of this store-based abstract machine coincides with that of Turner's original reduction machine. The three syntactic theories presented......We present a purely syntactic theory of graph reduction for the canonical combinators S, K, and I, where graph vertices are represented with evaluation contexts and let expressions. We express this rst syntactic theory as a storeless reduction semantics of combinatory terms. We then factor out...... the introduction of let expressions to denote as many graph vertices as possible upfront instead of on demand . The factored terms can be interpreted as term graphs in the sense of Barendregt et al. We express this second syntactic theory, which we prove equivalent to the rst, as a storeless reduction semantics...

Approximate Computing Techniques for Iterative Graph Algorithms

Energy Technology Data Exchange (ETDEWEB)

Panyala, Ajay R.; Subasi, Omer; Halappanavar, Mahantesh; Kalyanaraman, Anantharaman; Chavarria Miranda, Daniel G.; Krishnamoorthy, Sriram

2017-12-18

Approximate computing enables processing of large-scale graphs by trading off quality for performance. Approximate computing techniques have become critical not only due to the emergence of parallel architectures but also the availability of large scale datasets enabling data-driven discovery. Using two prototypical graph algorithms, PageRank and community detection, we present several approximate computing heuristics to scale the performance with minimal loss of accuracy. We present several heuristics including loop perforation, data caching, incomplete graph coloring and synchronization, and evaluate their efficiency. We demonstrate performance improvements of up to 83% for PageRank and up to 450x for community detection, with low impact of accuracy for both the algorithms. We expect the proposed approximate techniques will enable scalable graph analytics on data of importance to several applications in science and their subsequent adoption to scale similar graph algorithms.

A Clustering Graph Generator

Energy Technology Data Exchange (ETDEWEB)

Winlaw, Manda [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); De Sterck, Hans [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Sanders, Geoffrey [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2015-10-26

In very simple terms a network can be de ned as a collection of points joined together by lines. Thus, networks can be used to represent connections between entities in a wide variety of elds including engi- neering, science, medicine, and sociology. Many large real-world networks share a surprising number of properties, leading to a strong interest in model development research and techniques for building synthetic networks have been developed, that capture these similarities and replicate real-world graphs. Modeling these real-world networks serves two purposes. First, building models that mimic the patterns and prop- erties of real networks helps to understand the implications of these patterns and helps determine which patterns are important. If we develop a generative process to synthesize real networks we can also examine which growth processes are plausible and which are not. Secondly, high-quality, large-scale network data is often not available, because of economic, legal, technological, or other obstacles [7]. Thus, there are many instances where the systems of interest cannot be represented by a single exemplar network. As one example, consider the eld of cybersecurity, where systems require testing across diverse threat scenarios and validation across diverse network structures. In these cases, where there is no single exemplar network, the systems must instead be modeled as a collection of networks in which the variation among them may be just as important as their common features. By developing processes to build synthetic models, so-called graph generators, we can build synthetic networks that capture both the essential features of a system and realistic variability. Then we can use such synthetic graphs to perform tasks such as simulations, analysis, and decision making. We can also use synthetic graphs to performance test graph analysis algorithms, including clustering algorithms and anomaly detection algorithms.

Parallel Algorithm for Incremental Betweenness Centrality on Large Graphs

KAUST Repository

Jamour, Fuad Tarek

2017-10-17

Betweenness centrality quantifies the importance of nodes in a graph in many applications, including network analysis, community detection and identification of influential users. Typically, graphs in such applications evolve over time. Thus, the computation of betweenness centrality should be performed incrementally. This is challenging because updating even a single edge may trigger the computation of all-pairs shortest paths in the entire graph. Existing approaches cannot scale to large graphs: they either require excessive memory (i.e., quadratic to the size of the input graph) or perform unnecessary computations rendering them prohibitively slow. We propose iCentral; a novel incremental algorithm for computing betweenness centrality in evolving graphs. We decompose the graph into biconnected components and prove that processing can be localized within the affected components. iCentral is the first algorithm to support incremental betweeness centrality computation within a graph component. This is done efficiently, in linear space; consequently, iCentral scales to large graphs. We demonstrate with real datasets that the serial implementation of iCentral is up to 3.7 times faster than existing serial methods. Our parallel implementation that scales to large graphs, is an order of magnitude faster than the state-of-the-art parallel algorithm, while using an order of magnitude less computational resources.

Mathematical Minute: Rotating a Function Graph

Science.gov (United States)

Bravo, Daniel; Fera, Joseph

2013-01-01

Using calculus only, we find the angles you can rotate the graph of a differentiable function about the origin and still obtain a function graph. We then apply the solution to odd and even degree polynomials.

Mizan: Optimizing Graph Mining in Large Parallel Systems

KAUST Repository

Kalnis, Panos

2012-03-01

Extracting information from graphs, from nding shortest paths to complex graph mining, is essential for many ap- plications. Due to the shear size of modern graphs (e.g., social networks), processing must be done on large paral- lel computing infrastructures (e.g., the cloud). Earlier ap- proaches relied on the MapReduce framework, which was proved inadequate for graph algorithms. More recently, the message passing model (e.g., Pregel) has emerged. Although the Pregel model has many advantages, it is agnostic to the graph properties and the architecture of the underlying com- puting infrastructure, leading to suboptimal performance. In this paper, we propose Mizan, a layer between the users\\' code and the computing infrastructure. Mizan considers the structure of the input graph and the architecture of the in- frastructure in order to: (i) decide whether it is bene cial to generate a near-optimal partitioning of the graph in a pre- processing step, and (ii) choose between typical point-to- point message passing and a novel approach that puts com- puting nodes in a virtual overlay ring. We deployed Mizan on a small local Linux cluster, on the cloud (256 virtual machines in Amazon EC2), and on an IBM Blue Gene/P supercomputer (1024 CPUs). We show that Mizan executes common algorithms on very large graphs 1-2 orders of mag- nitude faster than MapReduce-based implementations and up to one order of magnitude faster than implementations relying on Pregel-like hash-based graph partitioning.

A first course in graph theory

CERN Document Server

Chartrand, Gary

2012-01-01

This comprehensive text offers undergraduates a remarkably student-friendly introduction to graph theory. Written by two of the field's most prominent experts, it takes an engaging approach that emphasizes graph theory's history. Unique examples and lucid proofs provide a sound yet accessible treatment that stimulates interest in an evolving subject and its many applications.Optional sections designated as ""excursion"" and ""exploration"" present interesting sidelights of graph theory and touch upon topics that allow students the opportunity to experiment and use their imaginations. Three app

System dynamics and control with bond graph modeling

CERN Document Server

Kypuros, Javier

2013-01-01

Part I Dynamic System ModelingIntroduction to System DynamicsIntroductionSystem Decomposition and Model ComplexityMathematical Modeling of Dynamic SystemsAnalysis and Design of Dynamic SystemsControl of Dynamic SystemsDiagrams of Dynamic SystemsA Graph-Centered Approach to ModelingSummaryPracticeExercisesBasic Bond Graph ElementsIntroductionPower and Energy VariablesBasic 1-Port ElementsBasic 2-Ports ElementsJunction ElementsSimple Bond Graph ExamplesSummaryPracticeExercisesBond Graph Synthesis and Equation DerivationIntroductionGeneral GuidelinesMechanical TranslationMechanical RotationElectrical CircuitsHydraulic CircuitsMixed SystemsState Equation DerivationState-Space RepresentationsAlgebraic Loops and Derivative CausalitySummaryPracticeExercisesImpedance Bond GraphsIntroductionLaplace Transform of the State-Space EquationBasic 1-Port ImpedancesImpedance Bond Graph SynthesisJunctions, Transformers, and GyratorsEffort and Flow DividersSign ChangesTransfer Function DerivationAlternative Derivation of Transf...

Stability notions in synthetic graph generation: a preliminary study

NARCIS (Netherlands)

van Leeuwen, W.; Fletcher, G.H.L.; Yakovets, N.; Bonifati, A.; Markl, Volker; Orlando, Salvatore; Mitschang, Bernhard

2017-01-01

With the rise in adoption of massive graph data, it be- comes increasingly important to design graph processing algorithms which have predictable behavior as the graph scales. This work presents an initial study of stability in the context of a schema-driven synthetic graph generation. Specifically,

Optimal Embeddings of Distance Regular Graphs into Euclidean Spaces

NARCIS (Netherlands)

F. Vallentin (Frank)

2008-01-01

htmlabstractIn this paper we give a lower bound for the least distortion embedding of a distance regular graph into Euclidean space. We use the lower bound for finding the least distortion for Hamming graphs, Johnson graphs, and all strongly regular graphs. Our technique involves semidefinite

Application of Bipolar Fuzzy Sets in Graph Structures

Directory of Open Access Journals (Sweden)

Muhammad Akram

2016-01-01

Full Text Available A graph structure is a useful tool in solving the combinatorial problems in different areas of computer science and computational intelligence systems. In this paper, we apply the concept of bipolar fuzzy sets to graph structures. We introduce certain notions, including bipolar fuzzy graph structure (BFGS, strong bipolar fuzzy graph structure, bipolar fuzzy Ni-cycle, bipolar fuzzy Ni-tree, bipolar fuzzy Ni-cut vertex, and bipolar fuzzy Ni-bridge, and illustrate these notions by several examples. We study ϕ-complement, self-complement, strong self-complement, and totally strong self-complement in bipolar fuzzy graph structures, and we investigate some of their interesting properties.

Improved Conflict Detection for Graph Transformation with Attributes

Directory of Open Access Journals (Sweden)

Géza Kulcsár

2015-04-01

Full Text Available In graph transformation, a conflict describes a situation where two alternative transformations cannot be arbitrarily serialized. When enriching graphs with attributes, existing conflict detection techniques typically report a conflict whenever at least one of two transformations manipulates a shared attribute. In this paper, we propose an improved, less conservative condition for static conflict detection of graph transformation with attributes by explicitly taking the semantics of the attribute operations into account. The proposed technique is based on symbolic graphs, which extend the traditional notion of graphs by logic formulas used for attribute handling. The approach is proven complete, i.e., any potential conflict is guaranteed to be detected.

Low-Rank Matrix Factorization With Adaptive Graph Regularizer.

Science.gov (United States)

Lu, Gui-Fu; Wang, Yong; Zou, Jian

2016-05-01

In this paper, we present a novel low-rank matrix factorization algorithm with adaptive graph regularizer (LMFAGR). We extend the recently proposed low-rank matrix with manifold regularization (MMF) method with an adaptive regularizer. Different from MMF, which constructs an affinity graph in advance, LMFAGR can simultaneously seek graph weight matrix and low-dimensional representations of data. That is, graph construction and low-rank matrix factorization are incorporated into a unified framework, which results in an automatically updated graph rather than a predefined one. The experimental results on some data sets demonstrate that the proposed algorithm outperforms the state-of-the-art low-rank matrix factorization methods.

Groupies in random bipartite graphs

OpenAIRE

Yilun Shang

2010-01-01

A vertex $v$ of a graph $G$ is called a groupie if its degree is notless than the average of the degrees of its neighbors. In thispaper we study the influence of bipartition $(B_1,B_2)$ on groupiesin random bipartite graphs $G(B_1,B_2,p)$ with both fixed $p$ and$p$ tending to zero.

The planar cubic Cayley graphs

CERN Document Server

Georgakopoulos, Agelos

2018-01-01

The author obtains a complete description of the planar cubic Cayley graphs, providing an explicit presentation and embedding for each of them. This turns out to be a rich class, comprising several infinite families. He obtains counterexamples to conjectures of Mohar, Bonnington and Watkins. The author's analysis makes the involved graphs accessible to computation, corroborating a conjecture of Droms.

Genus of total graphs from rings: A survey

Directory of Open Access Journals (Sweden)

T. Tamizh Chelvam

2018-04-01

Full Text Available Let R be a commutative ring. The total graph T Γ ( R of R is the undirected graph with vertex set R and two distinct vertices x and y are adjacent if x + y is a zero divisor in R . In this paper, we present a survey of results on the genus of T Γ ( R and three of its generalizations. Keywords: Commutative ring, Total graph, Cayley graph, Genus, Planar

Quick Mining of Isomorphic Exact Large Patterns from Large Graphs

KAUST Repository

Almasri, Islam

2014-12-01

The applications of the sub graph isomorphism search are growing with the growing number of areas that model their systems using graphs or networks. Specifically, many biological systems, such as protein interaction networks, molecular structures and protein contact maps, are modeled as graphs. The sub graph isomorphism search is concerned with finding all sub graphs that are isomorphic to a relevant query graph, the existence of such sub graphs can reflect on the characteristics of the modeled system. The most computationally expensive step in the search for isomorphic sub graphs is the backtracking algorithm that traverses the nodes of the target graph. In this paper, we propose a pruning approach that is inspired by the minimum remaining value heuristic that achieves greater scalability over large query and target graphs. Our testing on various biological networks shows that performance enhancement of our approach over existing state-of-the-art approaches varies between 6x and 53x. © 2014 IEEE.

Quick Mining of Isomorphic Exact Large Patterns from Large Graphs

KAUST Repository

Almasri, Islam; Gao, Xin; Fedoroff, Nina V.

2014-01-01

The applications of the sub graph isomorphism search are growing with the growing number of areas that model their systems using graphs or networks. Specifically, many biological systems, such as protein interaction networks, molecular structures and protein contact maps, are modeled as graphs. The sub graph isomorphism search is concerned with finding all sub graphs that are isomorphic to a relevant query graph, the existence of such sub graphs can reflect on the characteristics of the modeled system. The most computationally expensive step in the search for isomorphic sub graphs is the backtracking algorithm that traverses the nodes of the target graph. In this paper, we propose a pruning approach that is inspired by the minimum remaining value heuristic that achieves greater scalability over large query and target graphs. Our testing on various biological networks shows that performance enhancement of our approach over existing state-of-the-art approaches varies between 6x and 53x. © 2014 IEEE.

Deep architectures and deep learning in chemoinformatics: the prediction of aqueous solubility for drug-like molecules.

Science.gov (United States)

Lusci, Alessandro; Pollastri, Gianluca; Baldi, Pierre

2013-07-22

Shallow machine learning methods have been applied to chemoinformatics problems with some success. As more data becomes available and more complex problems are tackled, deep machine learning methods may also become useful. Here, we present a brief overview of deep learning methods and show in particular how recursive neural network approaches can be applied to the problem of predicting molecular properties. However, molecules are typically described by undirected cyclic graphs, while recursive approaches typically use directed acyclic graphs. Thus, we develop methods to address this discrepancy, essentially by considering an ensemble of recursive neural networks associated with all possible vertex-centered acyclic orientations of the molecular graph. One advantage of this approach is that it relies only minimally on the identification of suitable molecular descriptors because suitable representations are learned automatically from the data. Several variants of this approach are applied to the problem of predicting aqueous solubility and tested on four benchmark data sets. Experimental results show that the performance of the deep learning methods matches or exceeds the performance of other state-of-the-art methods according to several evaluation metrics and expose the fundamental limitations arising from training sets that are too small or too noisy. A Web-based predictor, AquaSol, is available online through the ChemDB portal ( cdb.ics.uci.edu ) together with additional material.

Eigenfunction statistics on quantum graphs

International Nuclear Information System (INIS)

Gnutzmann, S.; Keating, J.P.; Piotet, F.

2010-01-01

We investigate the spatial statistics of the energy eigenfunctions on large quantum graphs. It has previously been conjectured that these should be described by a Gaussian Random Wave Model, by analogy with quantum chaotic systems, for which such a model was proposed by Berry in 1977. The autocorrelation functions we calculate for an individual quantum graph exhibit a universal component, which completely determines a Gaussian Random Wave Model, and a system-dependent deviation. This deviation depends on the graph only through its underlying classical dynamics. Classical criteria for quantum universality to be met asymptotically in the large graph limit (i.e. for the non-universal deviation to vanish) are then extracted. We use an exact field theoretic expression in terms of a variant of a supersymmetric σ model. A saddle-point analysis of this expression leads to the estimates. In particular, intensity correlations are used to discuss the possible equidistribution of the energy eigenfunctions in the large graph limit. When equidistribution is asymptotically realized, our theory predicts a rate of convergence that is a significant refinement of previous estimates. The universal and system-dependent components of intensity correlation functions are recovered by means of an exact trace formula which we analyse in the diagonal approximation, drawing in this way a parallel between the field theory and semiclassics. Our results provide the first instance where an asymptotic Gaussian Random Wave Model has been established microscopically for eigenfunctions in a system with no disorder.

Conformational analysis of an acyclic tetrapeptide: ab-initio structure determination from X-ray powder diffraction, Hirshfeld surface analysis and electronic structure.

Science.gov (United States)

Das, Uday; Naskar, Jishu; Mukherjee, Alok Kumar

2015-12-01

A terminally protected acyclic tetrapeptide has been synthesized, and the crystal structure of its hydrated form, Boc-Tyr-Aib-Tyr-Ile-OMe·2H2O (1), has been determined directly from powder X-ray diffraction data. The backbone conformation of tetrapeptide (1) exhibiting two consecutive β-turns is stabilized by two 4 → 1 intramolecular N-H · · · O hydrogen bonds. In the crystalline state, the tetrapeptide molecules are assembled through water-mediated O-H · · · O hydrogen bonds to form two-dimensional molecular sheets, which are further linked by intermolecular C-H · · · O hydrogen bonds into a three-dimensional supramolecular framework. The molecular electrostatic potential (MEP) surface of (1) has been used to supplement the crystallographic observations. The nature of intermolecular interactions in (1) has been analyzed quantitatively through the Hirshfeld surface and two-dimensional fingerprint plot. The DFT optimized molecular geometry of (1) agrees closely with that obtained from the X-ray structure analysis. The present structure analysis of Boc-Tyr-Aib-Tyr-Ile-OMe·2H2 O (1) represents a case where ab-initio crystal structure of an acyclic tetrapeptide with considerable molecular flexibility has been accomplished from laboratory X-ray powder diffraction data. Copyright © 2015 European Peptide Society and John Wiley & Sons, Ltd.

Regular graph construction for semi-supervised learning

International Nuclear Information System (INIS)

Vega-Oliveros, Didier A; Berton, Lilian; Eberle, Andre Mantini; Lopes, Alneu de Andrade; Zhao, Liang

2014-01-01

Semi-supervised learning (SSL) stands out for using a small amount of labeled points for data clustering and classification. In this scenario graph-based methods allow the analysis of local and global characteristics of the available data by identifying classes or groups regardless data distribution and representing submanifold in Euclidean space. Most of methods used in literature for SSL classification do not worry about graph construction. However, regular graphs can obtain better classification accuracy compared to traditional methods such as k-nearest neighbor (kNN), since kNN benefits the generation of hubs and it is not appropriate for high-dimensionality data. Nevertheless, methods commonly used for generating regular graphs have high computational cost. We tackle this problem introducing an alternative method for generation of regular graphs with better runtime performance compared to methods usually find in the area. Our technique is based on the preferential selection of vertices according some topological measures, like closeness, generating at the end of the process a regular graph. Experiments using the global and local consistency method for label propagation show that our method provides better or equal classification rate in comparison with kNN

Pristine transfinite graphs and permissive electrical networks

CERN Document Server

Zemanian, Armen H

2001-01-01

A transfinite graph or electrical network of the first rank is obtained conceptually by connecting conventionally infinite graphs and networks together at their infinite extremities. This process can be repeated to obtain a hierarchy of transfiniteness whose ranks increase through the countable ordinals. This idea, which is of recent origin, has enriched the theories of graphs and networks with radically new constructs and research problems. The book provides a more accessible introduction to the subject that, though sacrificing some generality, captures the essential ideas of transfiniteness for graphs and networks. Thus, for example, some results concerning discrete potentials and random walks on transfinite networks can now be presented more concisely. Conversely, the simplifications enable the development of many new results that were previously unavailable. Topics and features: *A simplified exposition provides an introduction to transfiniteness for graphs and networks.*Various results for conventional g...

Graph Processing on GPUs: A Survey

DEFF Research Database (Denmark)

Shi, Xuanhua; Zheng, Zhigao; Zhou, Yongluan

2018-01-01

hundreds of billions, has attracted much attention in both industry and academia. It still remains a great challenge to process such large-scale graphs. Researchers have been seeking for new possible solutions. Because of the massive degree of parallelism and the high memory access bandwidth in GPU......, utilizing GPU to accelerate graph processing proves to be a promising solution. This article surveys the key issues of graph processing on GPUs, including data layout, memory access pattern, workload mapping, and specific GPU programming. In this article, we summarize the state-of-the-art research on GPU...

A heterogeneous graph-based recommendation simulator

Energy Technology Data Exchange (ETDEWEB)

Yeonchan, Ahn [Seoul National University; Sungchan, Park [Seoul National University; Lee, Matt Sangkeun [ORNL; Sang-goo, Lee [Seoul National University

2013-01-01

Heterogeneous graph-based recommendation frameworks have flexibility in that they can incorporate various recommendation algorithms and various kinds of information to produce better results. In this demonstration, we present a heterogeneous graph-based recommendation simulator which enables participants to experience the flexibility of a heterogeneous graph-based recommendation method. With our system, participants can simulate various recommendation semantics by expressing the semantics via meaningful paths like User Movie User Movie. The simulator then returns the recommendation results on the fly based on the user-customized semantics using a fast Monte Carlo algorithm.

Giant Components in Biased Graph Processes

OpenAIRE

Amir, Gideon; Gurel-Gurevich, Ori; Lubetzky, Eyal; Singer, Amit

2005-01-01

A random graph process, $\\Gorg[1](n)$, is a sequence of graphs on $n$ vertices which begins with the edgeless graph, and where at each step a single edge is added according to a uniform distribution on the missing edges. It is well known that in such a process a giant component (of linear size) typically emerges after $(1+o(1))\\frac{n}{2}$ edges (a phenomenon known as ``the double jump''), i.e., at time $t=1$ when using a timescale of $n/2$ edges in each step. We consider a generalization of ...

Graph Theory to Pure Mathematics: Some Illustrative Examples