Yadage and Packtivity - analysis preservation using parametrized workflows

NASA Astrophysics Data System (ADS)

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.

Artificial Neural Networks for Processing Graphs with Application to Image Understanding: A Survey

NASA Astrophysics Data System (ADS)

Bianchini, Monica; Scarselli, Franco

In graphical pattern recognition, each data is represented as an arrangement of elements, that encodes both the properties of each element and the relations among them. Hence, patterns are modelled as labelled graphs where, in general, labels can be attached to both nodes and edges. Artificial neural networks able to process graphs are a powerful tool for addressing a great variety of real-world problems, where the information is naturally organized in entities and relationships among entities and, in fact, they have been widely used in computer vision, f.i. in logo recognition, in similarity retrieval, and for object detection. In this chapter, we propose a survey of neural network models able to process structured information, with a particular focus on those architectures tailored to address image understanding applications. Starting from the original recursive model (RNNs), we subsequently present different ways to represent images - by trees, forests of trees, multiresolution trees, directed acyclic graphs with labelled edges, general graphs - and, correspondingly, neural network architectures appropriate to process such structures.

Dynamic Uncertain Causality Graph for Knowledge Representation and Probabilistic Reasoning: Directed Cyclic Graph and Joint Probability Distribution.

PubMed

Zhang, Qin

2015-07-01

Probabilistic graphical models (PGMs) such as Bayesian network (BN) have been widely applied in uncertain causality representation and probabilistic reasoning. Dynamic uncertain causality graph (DUCG) is a newly presented model of PGMs, which can be applied to fault diagnosis of large and complex industrial systems, disease diagnosis, and so on. The basic methodology of DUCG has been previously presented, in which only the directed acyclic graph (DAG) was addressed. However, the mathematical meaning of DUCG was not discussed. In this paper, the DUCG with directed cyclic graphs (DCGs) is addressed. In contrast, BN does not allow DCGs, as otherwise the conditional independence will not be satisfied. The inference algorithm for the DUCG with DCGs is presented, which not only extends the capabilities of DUCG from DAGs to DCGs but also enables users to decompose a large and complex DUCG into a set of small, simple sub-DUCGs, so that a large and complex knowledge base can be easily constructed, understood, and maintained. The basic mathematical definition of a complete DUCG with or without DCGs is proved to be a joint probability distribution (JPD) over a set of random variables. The incomplete DUCG as a part of a complete DUCG may represent a part of JPD. Examples are provided to illustrate the methodology.

The Adult Mouse Anatomical Dictionary: a tool for annotating and integrating data

PubMed Central

Hayamizu, Terry F; Mangan, Mary; Corradi, John P; Kadin, James A; Ringwald, Martin

2005-01-01

We have developed an ontology to provide standardized nomenclature for anatomical terms in the postnatal mouse. The Adult Mouse Anatomical Dictionary is structured as a directed acyclic graph, and is organized hierarchically both spatially and functionally. The ontology will be used to annotate and integrate different types of data pertinent to anatomy, such as gene expression patterns and phenotype information, which will contribute to an integrated description of biological phenomena in the mouse. PMID:15774030

Labeling RDF Graphs for Linear Time and Space Querying

NASA Astrophysics Data System (ADS)

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.

GOGrapher: A Python library for GO graph representation and analysis

PubMed Central

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

2009-01-01

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. PMID:19583843

Inferring ontology graph structures using OWL reasoning.

PubMed

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.

Classifying Web Pages by Using Knowledge Bases for Entity Retrieval

NASA Astrophysics Data System (ADS)

Kiritani, Yusuke; Ma, Qiang; Yoshikawa, Masatoshi

In this paper, we propose a novel method to classify Web pages by using knowledge bases for entity search, which is a kind of typical Web search for information related to a person, location or organization. First, we map a Web page to entities according to the similarities between the page and the entities. Various methods for computing such similarity are applied. For example, we can compute the similarity between a given page and a Wikipedia article describing a certain entity. The frequency of an entity appearing in the page is another factor used in computing the similarity. Second, we construct a directed acyclic graph, named PEC graph, based on the relations among Web pages, entities, and categories, by referring to YAGO, a knowledge base built on Wikipedia and WordNet. Finally, by analyzing the PEC graph, we classify Web pages into categories. The results of some preliminary experiments validate the methods proposed in this paper.

Wasatch: An architecture-proof multiphysics development environment using a Domain Specific Language and graph theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saad, Tony; Sutherland, James C.

To address the coding and software challenges of modern hybrid architectures, we propose an approach to multiphysics code development for high-performance computing. This approach is based on using a Domain Specific Language (DSL) in tandem with a directed acyclic graph (DAG) representation of the problem to be solved that allows runtime algorithm generation. When coupled with a large-scale parallel framework, the result is a portable development framework capable of executing on hybrid platforms and handling the challenges of multiphysics applications. In addition, we share our experience developing a code in such an environment – an effort that spans an interdisciplinarymore » team of engineers and computer scientists.« less

Wasatch: An architecture-proof multiphysics development environment using a Domain Specific Language and graph theory

DOE PAGES

Saad, Tony; Sutherland, James C.

2016-05-04

To address the coding and software challenges of modern hybrid architectures, we propose an approach to multiphysics code development for high-performance computing. This approach is based on using a Domain Specific Language (DSL) in tandem with a directed acyclic graph (DAG) representation of the problem to be solved that allows runtime algorithm generation. When coupled with a large-scale parallel framework, the result is a portable development framework capable of executing on hybrid platforms and handling the challenges of multiphysics applications. In addition, we share our experience developing a code in such an environment – an effort that spans an interdisciplinarymore » team of engineers and computer scientists.« less

Automated interviews on clinical case reports to elicit directed acyclic graphs.

PubMed

Luciani, Davide; Stefanini, Federico M

2012-05-01

Setting up clinical reports within hospital information systems makes it possible to record a variety of clinical presentations. Directed acyclic graphs (Dags) offer a useful way of representing causal relations in clinical problem domains and are at the core of many probabilistic models described in the medical literature, like Bayesian networks. However, medical practitioners are not usually trained to elicit Dag features. Part of the difficulty lies in the application of the concept of direct causality before selecting all the causal variables of interest for a specific patient. We designed an automated interview to tutor medical doctors in the development of Dags to represent their understanding of clinical reports. Medical notions were analyzed to find patterns in medical reasoning that can be followed by algorithms supporting the elicitation of causal Dags. Clinical relevance was defined to help formulate only relevant questions by driving an expert's attention towards variables causally related to nodes already inserted in the graph. Key procedural features of the proposed interview are described by four algorithms. The automated interview comprises questions on medical notions, phrased in medical terms. The first elicitation session produces questions concerning the patient's chief complaints and the outcomes related to diseases serving as diagnostic hypotheses, their observable manifestations and risk factors. The second session focuses on questions that refine the initial causal paths by considering syndromes, dysfunctions, pathogenic anomalies, biases and effect modifiers. A case study concerning a gastro-enterological problem and one dealing with an infected patient illustrate the output produced by the algorithms, depending on the answers provided by the doctor. The proposed elicitation framework is characterized by strong consistency with medical background and by a progressive introduction of relevant medical topics. Revision and testing of the subjectively elicited Dag is performed by matching the collected answers with the evidence included in accepted sources of biomedical knowledge. Copyright © 2011 Elsevier B.V. All rights reserved.

Symbolic Boolean Manipulation with Ordered Binary Decision Diagrams

DTIC Science & Technology

1992-07-01

memories , where careful attention has been given to programming the memory management routines [Brace et al 19901. To extract maximum performance, it...OBDDs) represent Boolean functions as directed acyclic graphs. They form a canonical representation, making testing of functional properties such as...indicated 3 X X2 X3 f 000 0 0 01 0X22 0 10 0 0 11 1 d 1 0 0 0 X3 X 3X 1 01 1 1 10 0 - i"o11 10o 1 1 Figure 1: Truth Table and Decison Tree Repremmtatios

Multi-Parent Clustering Algorithms from Stochastic Grammar Data Models

NASA Technical Reports Server (NTRS)

Mjoisness, Eric; Castano, Rebecca; Gray, Alexander

1999-01-01

We introduce a statistical data model and an associated optimization-based clustering algorithm which allows data vectors to belong to zero, one or several "parent" clusters. For each data vector the algorithm makes a discrete decision among these alternatives. Thus, a recursive version of this algorithm would place data clusters in a Directed Acyclic Graph rather than a tree. We test the algorithm with synthetic data generated according to the statistical data model. We also illustrate the algorithm using real data from large-scale gene expression assays.

PathFinder: reconstruction and dynamic visualization of metabolic pathways.

PubMed

Goesmann, Alexander; Haubrock, Martin; Meyer, Folker; Kalinowski, Jörn; Giegerich, Robert

2002-01-01

Beyond methods for a gene-wise annotation and analysis of sequenced genomes new automated methods for functional analysis on a higher level are needed. The identification of realized metabolic pathways provides valuable information on gene expression and regulation. Detection of incomplete pathways helps to improve a constantly evolving genome annotation or discover alternative biochemical pathways. To utilize automated genome analysis on the level of metabolic pathways new methods for the dynamic representation and visualization of pathways are needed. PathFinder is a tool for the dynamic visualization of metabolic pathways based on annotation data. Pathways are represented as directed acyclic graphs, graph layout algorithms accomplish the dynamic drawing and visualization of the metabolic maps. A more detailed analysis of the input data on the level of biochemical pathways helps to identify genes and detect improper parts of annotations. As an Relational Database Management System (RDBMS) based internet application PathFinder reads a list of EC-numbers or a given annotation in EMBL- or Genbank-format and dynamically generates pathway graphs.

Measuring the hierarchy of feedforward networks

NASA Astrophysics Data System (ADS)

Corominas-Murtra, Bernat; Rodríguez-Caso, Carlos; Goñi, Joaquín; Solé, Ricard

2011-03-01

In this paper we explore the concept of hierarchy as a quantifiable descriptor of ordered structures, departing from the definition of three conditions to be satisfied for a hierarchical structure: order, predictability, and pyramidal structure. According to these principles, we define a hierarchical index taking concepts from graph and information theory. This estimator allows to quantify the hierarchical character of any system susceptible to be abstracted in a feedforward causal graph, i.e., a directed acyclic graph defined in a single connected structure. Our hierarchical index is a balance between this predictability and pyramidal condition by the definition of two entropies: one attending the onward flow and the other for the backward reversion. We show how this index allows to identify hierarchical, antihierarchical, and nonhierarchical structures. Our formalism reveals that departing from the defined conditions for a hierarchical structure, feedforward trees and the inverted tree graphs emerge as the only causal structures of maximal hierarchical and antihierarchical systems respectively. Conversely, null values of the hierarchical index are attributed to a number of different configuration networks; from linear chains, due to their lack of pyramid structure, to full-connected feedforward graphs where the diversity of onward pathways is canceled by the uncertainty (lack of predictability) when going backward. Some illustrative examples are provided for the distinction among these three types of hierarchical causal graphs.

Integrated segmentation and recognition of connected Ottoman script

NASA Astrophysics Data System (ADS)

Yalniz, Ismet Zeki; Altingovde, Ismail Sengor; Güdükbay, Uğur; Ulusoy, Özgür

2009-11-01

We propose a novel context-sensitive segmentation and recognition method for connected letters in Ottoman script. This method first extracts a set of segments from a connected script and determines the candidate letters to which extracted segments are most similar. Next, a function is defined for scoring each different syntactically correct sequence of these candidate letters. To find the candidate letter sequence that maximizes the score function, a directed acyclic graph is constructed. The letters are finally recognized by computing the longest path in this graph. Experiments using a collection of printed Ottoman documents reveal that the proposed method provides >90% precision and recall figures in terms of character recognition. In a further set of experiments, we also demonstrate that the framework can be used as a building block for an information retrieval system for digital Ottoman archives.

Network discovery with DCM

PubMed Central

Friston, Karl J.; Li, Baojuan; Daunizeau, Jean; Stephan, Klaas E.

2011-01-01

This paper is about inferring or discovering the functional architecture of distributed systems using Dynamic Causal Modelling (DCM). We describe a scheme that recovers the (dynamic) Bayesian dependency graph (connections in a network) using observed network activity. This network discovery uses Bayesian model selection to identify the sparsity structure (absence of edges or connections) in a graph that best explains observed time-series. The implicit adjacency matrix specifies the form of the network (e.g., cyclic or acyclic) and its graph-theoretical attributes (e.g., degree distribution). The scheme is illustrated using functional magnetic resonance imaging (fMRI) time series to discover functional brain networks. Crucially, it can be applied to experimentally evoked responses (activation studies) or endogenous activity in task-free (resting state) fMRI studies. Unlike conventional approaches to network discovery, DCM permits the analysis of directed and cyclic graphs. Furthermore, it eschews (implausible) Markovian assumptions about the serial independence of random fluctuations. The scheme furnishes a network description of distributed activity in the brain that is optimal in the sense of having the greatest conditional probability, relative to other networks. The networks are characterised in terms of their connectivity or adjacency matrices and conditional distributions over the directed (and reciprocal) effective connectivity between connected nodes or regions. We envisage that this approach will provide a useful complement to current analyses of functional connectivity for both activation and resting-state studies. PMID:21182971

Property Graph vs RDF Triple Store: A Comparison on Glycan Substructure Search

PubMed Central

Alocci, Davide; Mariethoz, Julien; Horlacher, Oliver; Bolleman, Jerven T.; Campbell, Matthew P.; Lisacek, Frederique

2015-01-01

Resource description framework (RDF) and Property Graph databases are emerging technologies that are used for storing graph-structured data. We compare these technologies through a molecular biology use case: glycan substructure search. Glycans are branched tree-like molecules composed of building blocks linked together by chemical bonds. The molecular structure of a glycan can be encoded into a direct acyclic graph where each node represents a building block and each edge serves as a chemical linkage between two building blocks. In this context, Graph databases are possible software solutions for storing glycan structures and Graph query languages, such as SPARQL and Cypher, can be used to perform a substructure search. Glycan substructure searching is an important feature for querying structure and experimental glycan databases and retrieving biologically meaningful data. This applies for example to identifying a region of the glycan recognised by a glycan binding protein (GBP). In this study, 19,404 glycan structures were selected from GlycomeDB (www.glycome-db.org) and modelled for being stored into a RDF triple store and a Property Graph. We then performed two different sets of searches and compared the query response times and the results from both technologies to assess performance and accuracy. The two implementations produced the same results, but interestingly we noted a difference in the query response times. Qualitative measures such as portability were also used to define further criteria for choosing the technology adapted to solving glycan substructure search and other comparable issues. PMID:26656740

VPipe: Virtual Pipelining for Scheduling of DAG Stream Query Plans

NASA Astrophysics Data System (ADS)

Wang, Song; Gupta, Chetan; Mehta, Abhay

There are data streams all around us that can be harnessed for tremendous business and personal advantage. For an enterprise-level stream processing system such as CHAOS [1] (Continuous, Heterogeneous Analytic Over Streams), handling of complex query plans with resource constraints is challenging. While several scheduling strategies exist for stream processing, efficient scheduling of complex DAG query plans is still largely unsolved. In this paper, we propose a novel execution scheme for scheduling complex directed acyclic graph (DAG) query plans with meta-data enriched stream tuples. Our solution, called Virtual Pipelined Chain (or VPipe Chain for short), effectively extends the "Chain" pipelining scheduling approach to complex DAG query plans.

Graph-based optimization of epitope coverage for vaccine antigen design

DOE PAGES

Theiler, James Patrick; Korber, Bette Tina Marie

2017-01-29

Epigraph is a recently developed algorithm that enables the computationally efficient design of single or multi-antigen vaccines to maximize the potential epitope coverage for a diverse pathogen population. Potential epitopes are defined as short contiguous stretches of proteins, comparable in length to T-cell epitopes. This optimal coverage problem can be formulated in terms of a directed graph, with candidate antigens represented as paths that traverse this graph. Epigraph protein sequences can also be used as the basis for designing peptides for experimental evaluation of immune responses in natural infections to highly variable proteins. The epigraph tool suite also enables rapidmore » characterization of populations of diverse sequences from an immunological perspective. Fundamental distance measures are based on immunologically relevant shared potential epitope frequencies, rather than simple Hamming or phylogenetic distances. Here, we provide a mathematical description of the epigraph algorithm, include a comparison of different heuristics that can be used when graphs are not acyclic, and we describe an additional tool we have added to the web-based epigraph tool suite that provides frequency summaries of all distinct potential epitopes in a population. Lastly, we also show examples of the graphical output and summary tables that can be generated using the epigraph tool suite and explain their content and applications.« less

Graph-based optimization of epitope coverage for vaccine antigen design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Theiler, James Patrick; Korber, Bette Tina Marie

Epigraph is a recently developed algorithm that enables the computationally efficient design of single or multi-antigen vaccines to maximize the potential epitope coverage for a diverse pathogen population. Potential epitopes are defined as short contiguous stretches of proteins, comparable in length to T-cell epitopes. This optimal coverage problem can be formulated in terms of a directed graph, with candidate antigens represented as paths that traverse this graph. Epigraph protein sequences can also be used as the basis for designing peptides for experimental evaluation of immune responses in natural infections to highly variable proteins. The epigraph tool suite also enables rapidmore » characterization of populations of diverse sequences from an immunological perspective. Fundamental distance measures are based on immunologically relevant shared potential epitope frequencies, rather than simple Hamming or phylogenetic distances. Here, we provide a mathematical description of the epigraph algorithm, include a comparison of different heuristics that can be used when graphs are not acyclic, and we describe an additional tool we have added to the web-based epigraph tool suite that provides frequency summaries of all distinct potential epitopes in a population. Lastly, we also show examples of the graphical output and summary tables that can be generated using the epigraph tool suite and explain their content and applications.« less

Prediction in Health Domain Using Bayesian Networks Optimization Based on Induction Learning Techniques

NASA Astrophysics Data System (ADS)

Felgaer, Pablo; Britos, Paola; García-Martínez, Ramón

A Bayesian network is a directed acyclic graph in which each node represents a variable and each arc a probabilistic dependency; they are used to provide: a compact form to represent the knowledge and flexible methods of reasoning. Obtaining it from data is a learning process that is divided in two steps: structural learning and parametric learning. In this paper we define an automatic learning method that optimizes the Bayesian networks applied to classification, using a hybrid method of learning that combines the advantages of the induction techniques of the decision trees (TDIDT-C4.5) with those of the Bayesian networks. The resulting method is applied to prediction in health domain.

A Kernel Embedding-Based Approach for Nonstationary Causal Model Inference.

PubMed

Hu, Shoubo; Chen, Zhitang; Chan, Laiwan

2018-05-01

Although nonstationary data are more common in the real world, most existing causal discovery methods do not take nonstationarity into consideration. In this letter, we propose a kernel embedding-based approach, ENCI, for nonstationary causal model inference where data are collected from multiple domains with varying distributions. In ENCI, we transform the complicated relation of a cause-effect pair into a linear model of variables of which observations correspond to the kernel embeddings of the cause-and-effect distributions in different domains. In this way, we are able to estimate the causal direction by exploiting the causal asymmetry of the transformed linear model. Furthermore, we extend ENCI to causal graph discovery for multiple variables by transforming the relations among them into a linear nongaussian acyclic model. We show that by exploiting the nonstationarity of distributions, both cause-effect pairs and two kinds of causal graphs are identifiable under mild conditions. Experiments on synthetic and real-world data are conducted to justify the efficacy of ENCI over major existing methods.

The Role of Ambient Ozone in Epidemiologic Studies of Heat-Related Mortality

PubMed Central

Snowden, Jonathan M.; Kontgis, Caitlin; Tager, Ira B.

2012-01-01

Background: A large and growing literature investigating the role of extreme heat on mortality has conceptualized the role of ambient ozone in various ways, sometimes treating it as a confounder, sometimes as an effect modifier, and sometimes as a co-exposure. Thus, there is a lack of consensus about the roles that temperature and ozone together play in causing mortality. Objectives: We applied directed acyclic graphs (DAGs) to the topic of heat-related mortality to graphically represent the subject matter behind the research questions and to provide insight on the analytical options available. Discussion: On the basis of the subject matter encoded in the graphs, we assert that the role of ozone in studies of temperature and mortality is a causal intermediate that is affected by temperature and that can also affect mortality, rather than a confounder. Conclusions: We discuss possible questions of interest implied by this causal structure and propose areas of future work to further clarify the role of air pollutants in epidemiologic studies of extreme temperature. PMID:22899622

An Ada inference engine for expert systems

NASA Technical Reports Server (NTRS)

Lavallee, David B.

1986-01-01

The purpose is to investigate the feasibility of using Ada for rule-based expert systems with real-time performance requirements. This includes exploring the Ada features which give improved performance to expert systems as well as optimizing the tradeoffs or workarounds that the use of Ada may require. A prototype inference engine was built using Ada, and rule firing rates in excess of 500 per second were demonstrated on a single MC68000 processor. The knowledge base uses a directed acyclic graph to represent production lines. The graph allows the use of AND, OR, and NOT logical operators. The inference engine uses a combination of both forward and backward chaining in order to reach goals as quickly as possible. Future efforts will include additional investigation of multiprocessing to improve performance and creating a user interface allowing rule input in an Ada-like syntax. Investigation of multitasking and alternate knowledge base representations will help to analyze some of the performance issues as they relate to larger problems.

Lipid and Creatinine Adjustment to Evaluate Health Effects of Environmental Exposures.

PubMed

O'Brien, Katie M; Upson, Kristen; Buckley, Jessie P

2017-03-01

Urine- and serum-based biomarkers are useful for assessing individuals' exposure to environmental factors. However, variations in urinary creatinine (a measure of dilution) or serum lipid levels, if not adequately corrected for, can directly impact biomarker concentrations and bias exposure-disease association measures. Recent methodological literature has considered the complex relationships between creatinine or serum lipid levels, exposure biomarkers, outcomes, and other potentially relevant factors using directed acyclic graphs and simulation studies. The optimal measures of urinary dilution and serum lipids have also been investigated. Existing evidence supports the use of covariate-adjusted standardization plus creatinine adjustment for urinary biomarkers and standardization plus serum lipid adjustment for lipophilic, serum-based biomarkers. It is unclear which urinary dilution measure is best, but all serum lipid measures performed similarly. Future research should assess methods for pooled biomarkers and for studying diseases and exposures that affect creatinine or serum lipids directly.

Lipid and Creatinine Adjustment to Evaluate Health Effects of Environmental Exposures

PubMed Central

O’Brien, Katie M.; Upson, Kristen; Buckley, Jessie P.

2017-01-01

Purpose of review Urine- and serum-based biomarkers are useful for assessing individuals’ exposure to environmental factors. However, variations in urinary creatinine (a measure of dilution) or serum lipid levels, if not adequately corrected for, can directly impact biomarker concentrations and bias exposure-disease association measures. Recent findings Recent methodological literature has considered the complex relationships between creatinine or serum lipid levels, exposure biomarkers, outcomes, and other potentially relevant factors using directed acyclic graphs and simulation studies. The optimal measures of urinary dilution and serum lipids have also been investigated. Summary Existing evidence supports the use of covariate-adjusted standardization plus creatinine adjustment for urinary biomarkers and standardization plus serum lipid adjustment for lipophilic, serum-based biomarkers. It is unclear which urinary dilution measure is best, but all serum lipid measures performed similarly. Future research should assess methods for pooled biomarkers and for studying diseases and exposures that affect creatinine or serum lipids directly. PMID:28097619

The Teacher, the Physician and the Person: Exploring Causal Connections between Teaching Performance and Role Model Types Using Directed Acyclic Graphs

PubMed Central

Boerebach, Benjamin C. M.; Lombarts, Kiki M. J. M. H.; Scherpbier, Albert J. J.; Arah, Onyebuchi A.

2013-01-01

Background In fledgling areas of research, evidence supporting causal assumptions is often scarce due to the small number of empirical studies conducted. In many studies it remains unclear what impact explicit and implicit causal assumptions have on the research findings; only the primary assumptions of the researchers are often presented. This is particularly true for research on the effect of faculty’s teaching performance on their role modeling. Therefore, there is a need for robust frameworks and methods for transparent formal presentation of the underlying causal assumptions used in assessing the causal effects of teaching performance on role modeling. This study explores the effects of different (plausible) causal assumptions on research outcomes. Methods This study revisits a previously published study about the influence of faculty’s teaching performance on their role modeling (as teacher-supervisor, physician and person). We drew eight directed acyclic graphs (DAGs) to visually represent different plausible causal relationships between the variables under study. These DAGs were subsequently translated into corresponding statistical models, and regression analyses were performed to estimate the associations between teaching performance and role modeling. Results The different causal models were compatible with major differences in the magnitude of the relationship between faculty’s teaching performance and their role modeling. Odds ratios for the associations between teaching performance and the three role model types ranged from 31.1 to 73.6 for the teacher-supervisor role, from 3.7 to 15.5 for the physician role, and from 2.8 to 13.8 for the person role. Conclusions Different sets of assumptions about causal relationships in role modeling research can be visually depicted using DAGs, which are then used to guide both statistical analysis and interpretation of results. Since study conclusions can be sensitive to different causal assumptions, results should be interpreted in the light of causal assumptions made in each study. PMID:23936020

P-Finder: Reconstruction of Signaling Networks from Protein-Protein Interactions and GO Annotations.

PubMed

Young-Rae Cho; Yanan Xin; Speegle, Greg

2015-01-01

Because most complex genetic diseases are caused by defects of cell signaling, illuminating a signaling cascade is essential for understanding their mechanisms. We present three novel computational algorithms to reconstruct signaling networks between a starting protein and an ending protein using genome-wide protein-protein interaction (PPI) networks and gene ontology (GO) annotation data. A signaling network is represented as a directed acyclic graph in a merged form of multiple linear pathways. An advanced semantic similarity metric is applied for weighting PPIs as the preprocessing of all three methods. The first algorithm repeatedly extends the list of nodes based on path frequency towards an ending protein. The second algorithm repeatedly appends edges based on the occurrence of network motifs which indicate the link patterns more frequently appearing in a PPI network than in a random graph. The last algorithm uses the information propagation technique which iteratively updates edge orientations based on the path strength and merges the selected directed edges. Our experimental results demonstrate that the proposed algorithms achieve higher accuracy than previous methods when they are tested on well-studied pathways of S. cerevisiae. Furthermore, we introduce an interactive web application tool, called P-Finder, to visualize reconstructed signaling networks.

Accurate construction of consensus genetic maps via integer linear programming.

PubMed

Wu, Yonghui; Close, Timothy J; Lonardi, Stefano

2011-01-01

We study the problem of merging genetic maps, when the individual genetic maps are given as directed acyclic graphs. The computational problem is to build a consensus map, which is a directed graph that includes and is consistent with all (or, the vast majority of) the markers in the input maps. However, when markers in the individual maps have ordering conflicts, the resulting consensus map will contain cycles. Here, we formulate the problem of resolving cycles in the context of a parsimonious paradigm that takes into account two types of errors that may be present in the input maps, namely, local reshuffles and global displacements. The resulting combinatorial optimization problem is, in turn, expressed as an integer linear program. A fast approximation algorithm is proposed, and an additional speedup heuristic is developed. Our algorithms were implemented in a software tool named MERGEMAP which is freely available for academic use. An extensive set of experiments shows that MERGEMAP consistently outperforms JOINMAP, which is the most popular tool currently available for this task, both in terms of accuracy and running time. MERGEMAP is available for download at http://www.cs.ucr.edu/~yonghui/mgmap.html.

Directed Abelian algebras and their application to stochastic models.

PubMed

Alcaraz, F C; Rittenberg, V

2008-10-01

With each directed acyclic graph (this includes some D-dimensional lattices) one can associate some Abelian algebras that we call directed Abelian algebras (DAAs). On each site of the graph one attaches a generator of the algebra. These algebras depend on several parameters and are semisimple. Using any DAA, one can define a family of Hamiltonians which give the continuous time evolution of a stochastic process. The calculation of the spectra and ground-state wave functions (stationary state probability distributions) is an easy algebraic exercise. If one considers D-dimensional lattices and chooses Hamiltonians linear in the generators, in finite-size scaling the Hamiltonian spectrum is gapless with a critical dynamic exponent z=D. One possible application of the DAA is to sandpile models. In the paper we present this application, considering one- and two-dimensional lattices. In the one-dimensional case, when the DAA conserves the number of particles, the avalanches belong to the random walker universality class (critical exponent sigma_(tau)=32 ). We study the local density of particles inside large avalanches, showing a depletion of particles at the source of the avalanche and an enrichment at its end. In two dimensions we did extensive Monte-Carlo simulations and found sigma_(tau)=1.780+/-0.005 .

CQPSO scheduling algorithm for heterogeneous multi-core DAG task model

NASA Astrophysics Data System (ADS)

Zhai, Wenzheng; Hu, Yue-Li; Ran, Feng

2017-07-01

Efficient task scheduling is critical to achieve high performance in a heterogeneous multi-core computing environment. The paper focuses on the heterogeneous multi-core directed acyclic graph (DAG) task model and proposes a novel task scheduling method based on an improved chaotic quantum-behaved particle swarm optimization (CQPSO) algorithm. A task priority scheduling list was built. A processor with minimum cumulative earliest finish time (EFT) was acted as the object of the first task assignment. The task precedence relationships were satisfied and the total execution time of all tasks was minimized. The experimental results show that the proposed algorithm has the advantage of optimization abilities, simple and feasible, fast convergence, and can be applied to the task scheduling optimization for other heterogeneous and distributed environment.

An Integrated Approach to Locality-Conscious Processor Allocation and Scheduling of Mixed-Parallel Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vydyanathan, Naga; Krishnamoorthy, Sriram; Sabin, Gerald M.

2009-08-01

Complex parallel applications can often be modeled as directed acyclic graphs of coarse-grained application-tasks with dependences. These applications exhibit both task- and data-parallelism, and combining these two (also called mixedparallelism), has been shown to be an effective model for their execution. In this paper, we present an algorithm to compute the appropriate mix of task- and data-parallelism required to minimize the parallel completion time (makespan) of these applications. In other words, our algorithm determines the set of tasks that should be run concurrently and the number of processors to be allocated to each task. The processor allocation and scheduling decisionsmore » are made in an integrated manner and are based on several factors such as the structure of the taskgraph, the runtime estimates and scalability characteristics of the tasks and the inter-task data communication volumes. A locality conscious scheduling strategy is used to improve inter-task data reuse. Evaluation through simulations and actual executions of task graphs derived from real applications as well as synthetic graphs shows that our algorithm consistently generates schedules with lower makespan as compared to CPR and CPA, two previously proposed scheduling algorithms. Our algorithm also produces schedules that have lower makespan than pure taskand data-parallel schedules. For task graphs with known optimal schedules or lower bounds on the makespan, our algorithm generates schedules that are closer to the optima than other scheduling approaches.« less

A network perspective on comorbid depression in adolescents with obsessive-compulsive disorder.

PubMed

Jones, Payton J; Mair, Patrick; Riemann, Bradley C; Mugno, Beth L; McNally, Richard J

2018-01-01

People with obsessive-compulsive disorder [OCD] frequently suffer from depression, a comorbidity associated with greater symptom severity and suicide risk. We examined the associations between OCD and depression symptoms in 87 adolescents with primary OCD. We computed an association network, a graphical LASSO, and a directed acyclic graph (DAG) to model symptom interactions. Models showed OCD and depression as separate syndromes linked by bridge symptoms. Bridges between the two disorders emerged between obsessional problems in the OCD syndrome, and guilt, concentration problems, and sadness in the depression syndrome. A directed network indicated that OCD symptoms directionally precede depression symptoms. Concentration impairment emerged as a highly central node that may be distinctive to adolescents. We conclude that the network approach to mental disorders provides a new way to understand the etiology and maintenance of comorbid OCD-depression. Network analysis can improve research and treatment of mental disorder comorbidities by generating hypotheses concerning potential causal symptom structures and by identifying symptoms that may bridge disorders. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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.

Decompositions of large-scale biological systems based on dynamical properties.

PubMed

Soranzo, Nicola; Ramezani, Fahimeh; Iacono, Giovanni; Altafini, Claudio

2012-01-01

Given a large-scale biological network represented as an influence graph, in this article we investigate possible decompositions of the network aimed at highlighting specific dynamical properties. The first decomposition we study consists in finding a maximal directed acyclic subgraph of the network, which dynamically corresponds to searching for a maximal open-loop subsystem of the given system. Another dynamical property investigated is strong monotonicity. We propose two methods to deal with this property, both aimed at decomposing the system into strongly monotone subsystems, but with different structural characteristics: one method tends to produce a single large strongly monotone component, while the other typically generates a set of smaller disjoint strongly monotone subsystems. Original heuristics for the methods investigated are described in the article. altafini@sissa.it

Modeling crime events by d-separation method

NASA Astrophysics Data System (ADS)

Aarthee, R.; Ezhilmaran, D.

2017-11-01

Problematic legal cases have recently called for a scientifically founded method of dealing with the qualitative and quantitative roles of evidence in a case [1].To deal with quantitative, we proposed a d-separation method for modeling the crime events. A d-separation is a graphical criterion for identifying independence in a directed acyclic graph. By developing a d-separation method, we aim to lay the foundations for the development of a software support tool that can deal with the evidential reasoning in legal cases. Such a tool is meant to be used by a judge or juror, in alliance with various experts who can provide information about the details. This will hopefully improve the communication between judges or jurors and experts. The proposed method used to uncover more valid independencies than any other graphical criterion.

Network topology mapper

DOEpatents

Quist, Daniel A [Los Alamos, NM; Gavrilov, Eugene M [Los Alamos, NM; Fisk, Michael E [Jemez, NM

2008-01-15

A method enables the topology of an acyclic fully propagated network to be discovered. A list of switches that comprise the network is formed and the MAC address cache for each one of the switches is determined. For each pair of switches, from the MAC address caches the remaining switches that see the pair of switches are located. For each pair of switches the remaining switches are determined that see one of the pair of switches on a first port and the second one of the pair of switches on a second port. A list of insiders is formed for every pair of switches. It is determined whether the insider for each pair of switches is a graph edge and adjacent ones of the graph edges are determined. A symmetric adjacency matrix is formed from the graph edges to represent the topology of the data link network.

Efficient enumeration of monocyclic chemical graphs with given path frequencies

PubMed Central

2014-01-01

Background The enumeration of chemical graphs (molecular graphs) satisfying given constraints is one of the fundamental problems in chemoinformatics and bioinformatics because it leads to a variety of useful applications including structure determination and development of novel chemical compounds. Results We consider the problem of enumerating chemical graphs with monocyclic structure (a graph structure that contains exactly one cycle) from a given set of feature vectors, where a feature vector represents the frequency of the prescribed paths in a chemical compound to be constructed and the set is specified by a pair of upper and lower feature vectors. To enumerate all tree-like (acyclic) chemical graphs from a given set of feature vectors, Shimizu et al. and Suzuki et al. proposed efficient branch-and-bound algorithms based on a fast tree enumeration algorithm. In this study, we devise a novel method for extending these algorithms to enumeration of chemical graphs with monocyclic structure by designing a fast algorithm for testing uniqueness. The results of computational experiments reveal that the computational efficiency of the new algorithm is as good as those for enumeration of tree-like chemical compounds. Conclusions We succeed in expanding the class of chemical graphs that are able to be enumerated efficiently. PMID:24955135

Parameterized Complexity Results for General Factors in Bipartite Graphs with an Application to Constraint Programming

NASA Astrophysics Data System (ADS)

Gutin, Gregory; Kim, Eun Jung; Soleimanfallah, Arezou; Szeider, Stefan; Yeo, Anders

The NP-hard general factor problem asks, given a graph and for each vertex a list of integers, whether the graph has a spanning subgraph where each vertex has a degree that belongs to its assigned list. The problem remains NP-hard even if the given graph is bipartite with partition U ⊎ V, and each vertex in U is assigned the list {1}; this subproblem appears in the context of constraint programming as the consistency problem for the extended global cardinality constraint. We show that this subproblem is fixed-parameter tractable when parameterized by the size of the second partite set V. More generally, we show that the general factor problem for bipartite graphs, parameterized by |V |, is fixed-parameter tractable as long as all vertices in U are assigned lists of length 1, but becomes W[1]-hard if vertices in U are assigned lists of length at most 2. We establish fixed-parameter tractability by reducing the problem instance to a bounded number of acyclic instances, each of which can be solved in polynomial time by dynamic programming.

Nonpreemptive run-time scheduling issues on a multitasked, multiprogrammed multiprocessor with dependencies, bidimensional tasks, folding and dynamic graphs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Allan Ray

1987-05-01

Increases in high speed hardware have mandated studies in software techniques to exploit the parallel capabilities. This thesis examines the effects a run-time scheduler has on a multiprocessor. The model consists of directed, acyclic graphs, generated from serial FORTRAN benchmark programs by the parallel compiler Parafrase. A multitasked, multiprogrammed environment is created. Dependencies are generated by the compiler. Tasks are bidimensional, i.e., they may specify both time and processor requests. Processor requests may be folded into execution time by the scheduler. The graphs may arrive at arbitrary time intervals. The general case is NP-hard, thus, a variety of heuristics aremore » examined by a simulator. Multiprogramming demonstrates a greater need for a run-time scheduler than does monoprogramming for a variety of reasons, e.g., greater stress on the processors, a larger number of independent control paths, more variety in the task parameters, etc. The dynamic critical path series of algorithms perform well. Dynamic critical volume did not add much. Unfortunately, dynamic critical path maximizes turnaround time as well as throughput. Two schedulers are presented which balance throughput and turnaround time. The first requires classification of jobs by type; the second requires selection of a ratio value which is dependent upon system parameters. 45 refs., 19 figs., 20 tabs.« less

Grid workflow job execution service 'Pilot'

NASA Astrophysics Data System (ADS)

Shamardin, Lev; Kryukov, Alexander; Demichev, Andrey; Ilyin, Vyacheslav

2011-12-01

'Pilot' is a grid job execution service for workflow jobs. The main goal for the service is to automate computations with multiple stages since they can be expressed as simple workflows. Each job is a directed acyclic graph of tasks and each task is an execution of something on a grid resource (or 'computing element'). Tasks may be submitted to any WS-GRAM (Globus Toolkit 4) service. The target resources for the tasks execution are selected by the Pilot service from the set of available resources which match the specific requirements from the task and/or job definition. Some simple conditional execution logic is also provided. The 'Pilot' service is built on the REST concepts and provides a simple API through authenticated HTTPS. This service is deployed and used in production in a Russian national grid project GridNNN.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Edwards, Harold C.; Ibanez, Daniel Alejandro

This report documents the ASC/ATDM Kokkos deliverable "Production Portable Dy- namic Task DAG Capability." This capability enables applications to create and execute a dynamic task DAG ; a collection of heterogeneous computational tasks with a directed acyclic graph (DAG) of "execute after" dependencies where tasks and their dependencies are dynamically created and destroyed as tasks execute. The Kokkos task scheduler executes the dynamic task DAG on the target execution resource; e.g. a multicore CPU, a manycore CPU such as Intel's Knights Landing (KNL), or an NVIDIA GPU. Several major technical challenges had to be addressed during development of Kokkos' Taskmore » DAG capability: (1) portability to a GPU with it's simplified hardware and micro- runtime, (2) thread-scalable memory allocation and deallocation from a bounded pool of memory, (3) thread-scalable scheduler for dynamic task DAG, (4) usability by applications.« less

A posture recognition based fall detection system for monitoring an elderly person in a smart home environment.

PubMed

Yu, Miao; Rhuma, Adel; Naqvi, Syed Mohsen; Wang, Liang; Chambers, Jonathon

2012-11-01

We propose a novel computer vision based fall detection system for monitoring an elderly person in a home care application. Background subtraction is applied to extract the foreground human body and the result is improved by using certain post-processing. Information from ellipse fitting and a projection histogram along the axes of the ellipse are used as the features for distinguishing different postures of the human. These features are then fed into a directed acyclic graph support vector machine (DAGSVM) for posture classification, the result of which is then combined with derived floor information to detect a fall. From a dataset of 15 people, we show that our fall detection system can achieve a high fall detection rate (97.08%) and a very low false detection rate (0.8%) in a simulated home environment.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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.more » Chaining of job dependencies into Directed Acyclic Graphs (Condor DAGS) is well supported and made easier through the use of input flags and parameters.« less

Spatio-temporal statistical models for river monitoring networks.

PubMed

Clement, L; Thas, O; Vanrolleghem, P A; Ottoy, J P

2006-01-01

When introducing new wastewater treatment plants (WWTP), investors and policy makers often want to know if there indeed is a beneficial effect of the installation of a WWTP on the river water quality. Such an effect can be established in time as well as in space. Since both temporal and spatial components affect the output of a monitoring network, their dependence structure has to be modelled. River water quality data typically come from a river monitoring network for which the spatial dependence structure is unidirectional. Thus the traditional spatio-temporal models are not appropriate, as they cannot take advantage of this directional information. In this paper, a state-space model is presented in which the spatial dependence of the state variable is represented by a directed acyclic graph, and the temporal dependence by a first-order autoregressive process. The state-space model is extended with a linear model for the mean to estimate the effect of the activation of a WWTP on the dissolved oxygen concentration downstream.

Securing Provenance of Distributed Processes in an Untrusted Environment

NASA Astrophysics Data System (ADS)

Syalim, Amril; Nishide, Takashi; Sakurai, Kouichi

Recently, there is much concern about the provenance of distributed processes, that is about the documentation of the origin and the processes to produce an object in a distributed system. The provenance has many applications in the forms of medical records, documentation of processes in the computer systems, recording the origin of data in the cloud, and also documentation of human-executed processes. The provenance of distributed processes can be modeled by a directed acyclic graph (DAG) where each node represents an entity, and an edge represents the origin and causal relationship between entities. Without sufficient security mechanisms, the provenance graph suffers from integrity and confidentiality problems, for example changes or deletions of the correct nodes, additions of fake nodes and edges, and unauthorized accesses to the sensitive nodes and edges. In this paper, we propose an integrity mechanism for provenance graph using the digital signature involving three parties: the process executors who are responsible in the nodes' creation, a provenance owner that records the nodes to the provenance store, and a trusted party that we call the Trusted Counter Server (TCS) that records the number of nodes stored by the provenance owner. We show that the mechanism can detect the integrity problem in the provenance graph, namely unauthorized and malicious “authorized” updates even if all the parties, except the TCS, collude to update the provenance. In this scheme, the TCS only needs a very minimal storage (linear with the number of the provenance owners). To protect the confidentiality and for an efficient access control administration, we propose a method to encrypt the provenance graph that allows access by paths and compartments in the provenance graph. We argue that encryption is important as a mechanism to protect the provenance data stored in an untrusted environment. We analyze the security of the integrity mechanism, and perform experiments to measure the performance of both mechanisms.

A historical analysis of natural gas demand

NASA Astrophysics Data System (ADS)

Dalbec, Nathan Richard

This thesis analyzes demand in the US energy market for natural gas, oil, and coal over the period of 1918-2013 and examines their price relationship over the period of 2007-2013. Diagnostic tests for time series were used; Augmented Dickey-Fuller, Kwiatkowski-Phillips-Schmidt-Shin, Johansen cointegration, Granger Causality and weak exogeneity tests. Directed acyclic graphs were used as a complimentary test for endogeneity. Due to the varied results in determining endogeneity, a seemingly unrelated regression model was used which assumes all right hand side variables in the three demand equations were exogenous. A number of factors were significant in determining demand for natural gas including its own price, lagged demand, a number of structural break dummies, and trend, while oil indicate some substitutability with natural gas. An error correction model was used to examine the price relationships. Natural gas price was found not to have a significant cointegrating vector.

Invited Commentary: Beware the Test-Negative Design.

PubMed

Westreich, Daniel; Hudgens, Michael G

2016-09-01

In this issue of the Journal, Sullivan et al. (Am J Epidemiol. 2016;184(5):345-353) carefully examine the theoretical justification for use of the test-negative design, a common observational study design, in assessing the effectiveness of influenza vaccination. Using modern causal inference methods (in particular, directed acyclic graphs), they describe different threats to the validity of inferences drawn about the effect of vaccination from test-negative design studies. These threats include confounding, selection bias, and measurement error in either the exposure or the outcome. While confounding and measurement error are common in observational studies, the potential for selection bias inherent in the test-negative design brings into question the validity of inferences drawn from such studies. © The Author 2016. Published by Oxford University Press on behalf of the Johns Hopkins Bloomberg School of Public Health. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Nonhybrid, finished microbial genome assemblies from long-read SMRT sequencing data.

PubMed

Chin, Chen-Shan; Alexander, David H; Marks, Patrick; Klammer, Aaron A; Drake, James; Heiner, Cheryl; Clum, Alicia; Copeland, Alex; Huddleston, John; Eichler, Evan E; Turner, Stephen W; Korlach, Jonas

2013-06-01

We present a hierarchical genome-assembly process (HGAP) for high-quality de novo microbial genome assemblies using only a single, long-insert shotgun DNA library in conjunction with Single Molecule, Real-Time (SMRT) DNA sequencing. Our method uses the longest reads as seeds to recruit all other reads for construction of highly accurate preassembled reads through a directed acyclic graph-based consensus procedure, which we follow with assembly using off-the-shelf long-read assemblers. In contrast to hybrid approaches, HGAP does not require highly accurate raw reads for error correction. We demonstrate efficient genome assembly for several microorganisms using as few as three SMRT Cell zero-mode waveguide arrays of sequencing and for BACs using just one SMRT Cell. Long repeat regions can be successfully resolved with this workflow. We also describe a consensus algorithm that incorporates SMRT sequencing primary quality values to produce de novo genome sequence exceeding 99.999% accuracy.

Written violence policies and risk of physical assault against Minnesota educators.

PubMed

Feda, Denise M; Gerberich, Susan G; Ryan, Andrew D; Nachreiner, Nancy M; McGovern, Patricia M

2010-12-01

Few research studies on school violence policies use quantitative methods to evaluate the impact of policies on workplace violence. This study analyzed nine different written violence policies and their impact on work-related physical assault in educational settings. Data were from the Minnesota Educators' Study. This large, nested case control study included cases (n=372) who reported physical assaults within the last year, and controls (n=1116) who did not. Multivariate logistic regression analyses, using directed acyclic graphs, estimated risk of assault. Results of the adjusted multivariate model suggested decreased risks of physical assault were associated with the presence of policies regarding how to report sexual harassment, verbal abuse, and threat (OR 0.53; 95 per cent CI: 0.30-0.95); assurance of confidential reporting of events (OR 0.67; 95 per cent CI: 0.44-1.04); and zero tolerance for violence (OR 0.70; 95 per cent CI: 0.47-1.04).

Random walk hierarchy measure: What is more hierarchical, a chain, a tree or a star?

PubMed Central

Czégel, Dániel; Palla, Gergely

2015-01-01

Signs of hierarchy are prevalent in a wide range of systems in nature and society. One of the key problems is quantifying the importance of hierarchical organisation in the structure of the network representing the interactions or connections between the fundamental units of the studied system. Although a number of notable methods are already available, their vast majority is treating all directed acyclic graphs as already maximally hierarchical. Here we propose a hierarchy measure based on random walks on the network. The novelty of our approach is that directed trees corresponding to multi level pyramidal structures obtain higher hierarchy scores compared to directed chains and directed stars. Furthermore, in the thermodynamic limit the hierarchy measure of regular trees is converging to a well defined limit depending only on the branching number. When applied to real networks, our method is computationally very effective, as the result can be evaluated with arbitrary precision by subsequent multiplications of the transition matrix describing the random walk process. In addition, the tests on real world networks provided very intuitive results, e.g., the trophic levels obtained from our approach on a food web were highly consistent with former results from ecology. PMID:26657012

Random walk hierarchy measure: What is more hierarchical, a chain, a tree or a star?

NASA Astrophysics Data System (ADS)

Czégel, Dániel; Palla, Gergely

2015-12-01

Signs of hierarchy are prevalent in a wide range of systems in nature and society. One of the key problems is quantifying the importance of hierarchical organisation in the structure of the network representing the interactions or connections between the fundamental units of the studied system. Although a number of notable methods are already available, their vast majority is treating all directed acyclic graphs as already maximally hierarchical. Here we propose a hierarchy measure based on random walks on the network. The novelty of our approach is that directed trees corresponding to multi level pyramidal structures obtain higher hierarchy scores compared to directed chains and directed stars. Furthermore, in the thermodynamic limit the hierarchy measure of regular trees is converging to a well defined limit depending only on the branching number. When applied to real networks, our method is computationally very effective, as the result can be evaluated with arbitrary precision by subsequent multiplications of the transition matrix describing the random walk process. In addition, the tests on real world networks provided very intuitive results, e.g., the trophic levels obtained from our approach on a food web were highly consistent with former results from ecology.

Random walk hierarchy measure: What is more hierarchical, a chain, a tree or a star?

PubMed

Czégel, Dániel; Palla, Gergely

2015-12-10

Signs of hierarchy are prevalent in a wide range of systems in nature and society. One of the key problems is quantifying the importance of hierarchical organisation in the structure of the network representing the interactions or connections between the fundamental units of the studied system. Although a number of notable methods are already available, their vast majority is treating all directed acyclic graphs as already maximally hierarchical. Here we propose a hierarchy measure based on random walks on the network. The novelty of our approach is that directed trees corresponding to multi level pyramidal structures obtain higher hierarchy scores compared to directed chains and directed stars. Furthermore, in the thermodynamic limit the hierarchy measure of regular trees is converging to a well defined limit depending only on the branching number. When applied to real networks, our method is computationally very effective, as the result can be evaluated with arbitrary precision by subsequent multiplications of the transition matrix describing the random walk process. In addition, the tests on real world networks provided very intuitive results, e.g., the trophic levels obtained from our approach on a food web were highly consistent with former results from ecology.

Revealing the ISO/IEC 9126-1 Clique Tree for COTS Software Evaluation

NASA Technical Reports Server (NTRS)

Morris, A. Terry

2007-01-01

Previous research has shown that acyclic dependency models, if they exist, can be extracted from software quality standards and that these models can be used to assess software safety and product quality. In the case of commercial off-the-shelf (COTS) software, the extracted dependency model can be used in a probabilistic Bayesian network context for COTS software evaluation. Furthermore, while experts typically employ Bayesian networks to encode domain knowledge, secondary structures (clique trees) from Bayesian network graphs can be used to determine the probabilistic distribution of any software variable (attribute) using any clique that contains that variable. Secondary structures, therefore, provide insight into the fundamental nature of graphical networks. This paper will apply secondary structure calculations to reveal the clique tree of the acyclic dependency model extracted from the ISO/IEC 9126-1 software quality standard. Suggestions will be provided to describe how the clique tree may be exploited to aid efficient transformation of an evaluation model.

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

PubMed

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 1.32% higher than WCSE on these metrics for top-10 retrieval results, respectively. Moreover, several retrieval cases were presented to intuitively compare with WCSE. The results of the above comparative study demonstrated that the proposed method outperformed the existing method with regard to accuracy and effectiveness. This paper proposes a graph-similarity-based retrieval approach for medicine information. To obtain satisfactory retrieval results, an isomorphism-based algorithm is proposed for dominant subgraph selection based on the subgraph overlapping analysis, as well as an effective and efficient hypergraph representation of molecules. Experiment results demonstrate the effectiveness of the proposed approach.

Statistical metrics for the characterization of karst network geometry and topology

NASA Astrophysics Data System (ADS)

Collon, Pauline; Bernasconi, David; Vuilleumier, Cécile; Renard, Philippe

2017-04-01

Statistical metrics can be used to analyse the morphology of natural or simulated karst systems; they allow describing, comparing, and quantifying their geometry and topology. In this paper, we present and discuss a set of such metrics. We study their properties and their usefulness based on a set of more than 30 karstic networks mapped by speleologists. The data set includes some of the largest explored cave systems in the world and represents a broad range of geological and speleogenetic conditions allowing us to test the proposed metrics, their variability, and their usefulness for the discrimination of different morphologies. All the proposed metrics require that the topographical survey of the caves are first converted to graphs consisting of vertices and edges. This data preprocessing includes several quality check operations and some corrections to ensure that the karst is represented as accurately as possible. The statistical parameters relating to the geometry of the system are then directly computed on the graphs, while the topological parameters are computed on a reduced version of the network focusing only on its structure. Among the tested metrics, we include some that were previously proposed such as tortuosity or the Howard's coefficients. We also investigate the possibility to use new metrics derived from graph theory. In total, 21 metrics are introduced, discussed in detail, and compared on the basis of our data set. This work shows that orientation analysis and, in particular, the entropy of the orientation data can help to detect the existence of inception features. The statistics on branch length are useful to describe the extension of the conduits within the network. Rather surprisingly, the tortuosity does not vary very significantly. It could be heavily influenced by the survey methodology. The degree of interconnectivity of the network, related to the presence of maze patterns, can be measured using different metrics such as the Howard's parameters, global cyclic coefficient, or the average vertex degree. The average vertex degree of the reduced graph proved to be the most useful as it is simple to compute, it discriminates properly the interconnected systems (mazes) from the acyclic ones (tree-like structures), and it permits us to classify the acyclic systems as a function of the total number of branches. This topological information is completed by three parameters, allowing us to refine the description. The correlation of vertex degree is rather simple to obtain. It is systematically positive on all studied data sets indicating a predominance of assortative networks among karst systems. The average shortest path length is related to the transport efficiency. It is shown to be mainly correlated to the size of the network. Finally, central point dominance allows us to identify the presence of a centralized organization.

Mediation misgivings: ambiguous clinical and public health interpretations of natural direct and indirect effects.

PubMed

Naimi, Ashley I; Kaufman, Jay S; MacLehose, Richard F

2014-10-01

Recent methodological innovation is giving rise to an increasing number of applied papers in medical and epidemiological journals in which natural direct and indirect effects are estimated. However, there is a longstanding debate on whether such effects are relevant targets of inference in population health. In light of the repeated calls for a more pragmatic and consequential epidemiology, we review three issues often raised in this debate: (i) the use of composite cross-world counterfactuals and the need for cross-world independence assumptions; (ii) interventional vs non-interventional identifiability; and (iii) the interpretational ambiguity of natural direct and indirect effect estimates. We use potential outcomes notation and directed acyclic graphs to explain 'cross-world' assumptions, illustrate implications of this assumption via regression models and discuss ensuing issues of interpretation. We argue that the debate on the relevance of natural direct and indirect effects rests on whether one takes as a target of inference the mathematical object per se, or the change in the world that the mathematical object represents. We further note that public health questions may be better served by estimating controlled direct effects. © The Author 2014; all rights reserved. Published by Oxford University Press on behalf of the International Epidemiological Association.

Sparse cliques trump scale-free networks in coordination and competition

PubMed Central

Gianetto, David A.; Heydari, Babak

2016-01-01

Cooperative behavior, a natural, pervasive and yet puzzling phenomenon, can be significantly enhanced by networks. Many studies have shown how global network characteristics affect cooperation; however, it is difficult to understand how this occurs based on global factors alone, low-level network building blocks, or motifs are necessary. In this work, we systematically alter the structure of scale-free and clique networks and show, through a stochastic evolutionary game theory model, that cooperation on cliques increases linearly with community motif count. We further show that, for reactive stochastic strategies, network modularity improves cooperation in the anti-coordination Snowdrift game and the Prisoner’s Dilemma game but not in the Stag Hunt coordination game. We also confirm the negative effect of the scale-free graph on cooperation when effective payoffs are used. On the flip side, clique graphs are highly cooperative across social environments. Adding cycles to the acyclic scale-free graph increases cooperation when multiple games are considered; however, cycles have the opposite effect on how forgiving agents are when playing the Prisoner’s Dilemma game. PMID:26899456

Sparse cliques trump scale-free networks in coordination and competition

NASA Astrophysics Data System (ADS)

Gianetto, David A.; Heydari, Babak

2016-02-01

Cooperative behavior, a natural, pervasive and yet puzzling phenomenon, can be significantly enhanced by networks. Many studies have shown how global network characteristics affect cooperation; however, it is difficult to understand how this occurs based on global factors alone, low-level network building blocks, or motifs are necessary. In this work, we systematically alter the structure of scale-free and clique networks and show, through a stochastic evolutionary game theory model, that cooperation on cliques increases linearly with community motif count. We further show that, for reactive stochastic strategies, network modularity improves cooperation in the anti-coordination Snowdrift game and the Prisoner’s Dilemma game but not in the Stag Hunt coordination game. We also confirm the negative effect of the scale-free graph on cooperation when effective payoffs are used. On the flip side, clique graphs are highly cooperative across social environments. Adding cycles to the acyclic scale-free graph increases cooperation when multiple games are considered; however, cycles have the opposite effect on how forgiving agents are when playing the Prisoner’s Dilemma game.

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

PubMed Central

Tian, Tian; Liu, Yue; Yan, Hengyu; You, Qi; Yi, Xin; Du, Zhou

2017-01-01

Abstract 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/. PMID:28472432

A sparse structure learning algorithm for Gaussian Bayesian Network identification from high-dimensional data.

PubMed

Huang, Shuai; Li, Jing; Ye, Jieping; Fleisher, Adam; Chen, Kewei; Wu, Teresa; Reiman, Eric

2013-06-01

Structure learning of Bayesian Networks (BNs) is an important topic in machine learning. Driven by modern applications in genetics and brain sciences, accurate and efficient learning of large-scale BN structures from high-dimensional data becomes a challenging problem. To tackle this challenge, we propose a Sparse Bayesian Network (SBN) structure learning algorithm that employs a novel formulation involving one L1-norm penalty term to impose sparsity and another penalty term to ensure that the learned BN is a Directed Acyclic Graph--a required property of BNs. Through both theoretical analysis and extensive experiments on 11 moderate and large benchmark networks with various sample sizes, we show that SBN leads to improved learning accuracy, scalability, and efficiency as compared with 10 existing popular BN learning algorithms. We apply SBN to a real-world application of brain connectivity modeling for Alzheimer's disease (AD) and reveal findings that could lead to advancements in AD research.

A Sparse Structure Learning Algorithm for Gaussian Bayesian Network Identification from High-Dimensional Data

PubMed Central

Huang, Shuai; Li, Jing; Ye, Jieping; Fleisher, Adam; Chen, Kewei; Wu, Teresa; Reiman, Eric

2014-01-01

Structure learning of Bayesian Networks (BNs) is an important topic in machine learning. Driven by modern applications in genetics and brain sciences, accurate and efficient learning of large-scale BN structures from high-dimensional data becomes a challenging problem. To tackle this challenge, we propose a Sparse Bayesian Network (SBN) structure learning algorithm that employs a novel formulation involving one L1-norm penalty term to impose sparsity and another penalty term to ensure that the learned BN is a Directed Acyclic Graph (DAG)—a required property of BNs. Through both theoretical analysis and extensive experiments on 11 moderate and large benchmark networks with various sample sizes, we show that SBN leads to improved learning accuracy, scalability, and efficiency as compared with 10 existing popular BN learning algorithms. We apply SBN to a real-world application of brain connectivity modeling for Alzheimer’s disease (AD) and reveal findings that could lead to advancements in AD research. PMID:22665720

A Bayesian network analysis of posttraumatic stress disorder symptoms in adults reporting childhood sexual abuse

PubMed Central

McNally, Richard J.; Heeren, Alexandre; Robinaugh, Donald J.

2017-01-01

ABSTRACT Background: The network approach to mental disorders offers a novel framework for conceptualizing posttraumatic stress disorder (PTSD) as a causal system of interacting symptoms. Objective: In this study, we extended this work by estimating the structure of relations among PTSD symptoms in adults reporting personal histories of childhood sexual abuse (CSA; N = 179).   Method: We employed two complementary methods. First, using the graphical LASSO, we computed a sparse, regularized partial correlation network revealing associations (edges) between pairs of PTSD symptoms (nodes). Next, using a Bayesian approach, we computed a directed acyclic graph (DAG) to estimate a directed, potentially causal model of the relations among symptoms. Results: For the first network, we found that physiological reactivity to reminders of trauma, dreams about the trauma, and lost of interest in previously enjoyed activities were highly central nodes. However, stability analyses suggest that these findings were unstable across subsets of our sample. The DAG suggests that becoming physiologically reactive and upset in response to reminders of the trauma may be key drivers of other symptoms in adult survivors of CSA. Conclusions: Our study illustrates the strengths and limitations of these network analytic approaches to PTSD. PMID:29038690

Traffic Behavior Recognition Using the Pachinko Allocation Model

PubMed Central

Huynh-The, Thien; Banos, Oresti; Le, Ba-Vui; Bui, Dinh-Mao; Yoon, Yongik; Lee, Sungyoung

2015-01-01

CCTV-based behavior recognition systems have gained considerable attention in recent years in the transportation surveillance domain for identifying unusual patterns, such as traffic jams, accidents, dangerous driving and other abnormal behaviors. In this paper, a novel approach for traffic behavior modeling is presented for video-based road surveillance. The proposed system combines the pachinko allocation model (PAM) and support vector machine (SVM) for a hierarchical representation and identification of traffic behavior. A background subtraction technique using Gaussian mixture models (GMMs) and an object tracking mechanism based on Kalman filters are utilized to firstly construct the object trajectories. Then, the sparse features comprising the locations and directions of the moving objects are modeled by PAM into traffic topics, namely activities and behaviors. As a key innovation, PAM captures not only the correlation among the activities, but also among the behaviors based on the arbitrary directed acyclic graph (DAG). The SVM classifier is then utilized on top to train and recognize the traffic activity and behavior. The proposed model shows more flexibility and greater expressive power than the commonly-used latent Dirichlet allocation (LDA) approach, leading to a higher recognition accuracy in the behavior classification. PMID:26151213

GOTree Machine (GOTM): a web-based platform for interpreting sets of interesting genes using Gene Ontology hierarchies

PubMed Central

Zhang, Bing; Schmoyer, Denise; Kirov, Stefan; Snoddy, Jay

2004-01-01

Background Microarray and other high-throughput technologies are producing large sets of interesting genes that are difficult to analyze directly. Bioinformatics tools are needed to interpret the functional information in the gene sets. Results We have created a web-based tool for data analysis and data visualization for sets of genes called GOTree Machine (GOTM). This tool was originally intended to analyze sets of co-regulated genes identified from microarray analysis but is adaptable for use with other gene sets from other high-throughput analyses. GOTree Machine generates a GOTree, a tree-like structure to navigate the Gene Ontology Directed Acyclic Graph for input gene sets. This system provides user friendly data navigation and visualization. Statistical analysis helps users to identify the most important Gene Ontology categories for the input gene sets and suggests biological areas that warrant further study. GOTree Machine is available online at . Conclusion GOTree Machine has a broad application in functional genomic, proteomic and other high-throughput methods that generate large sets of interesting genes; its primary purpose is to help users sort for interesting patterns in gene sets. PMID:14975175

WEGO 2.0: a web tool for analyzing and plotting GO annotations, 2018 update.

PubMed

Ye, Jia; Zhang, Yong; Cui, Huihai; Liu, Jiawei; Wu, Yuqing; Cheng, Yun; Xu, Huixing; Huang, Xingxin; Li, Shengting; Zhou, An; Zhang, Xiuqing; Bolund, Lars; Chen, Qiang; Wang, Jian; Yang, Huanming; Fang, Lin; Shi, Chunmei

2018-05-18

WEGO (Web Gene Ontology Annotation Plot), created in 2006, is a simple but useful tool for visualizing, comparing and plotting GO (Gene Ontology) annotation results. Owing largely to the rapid development of high-throughput sequencing and the increasing acceptance of GO, WEGO has benefitted from outstanding performance regarding the number of users and citations in recent years, which motivated us to update to version 2.0. WEGO uses the GO annotation results as input. Based on GO's standardized DAG (Directed Acyclic Graph) structured vocabulary system, the number of genes corresponding to each GO ID is calculated and shown in a graphical format. WEGO 2.0 updates have targeted four aspects, aiming to provide a more efficient and up-to-date approach for comparative genomic analyses. First, the number of input files, previously limited to three, is now unlimited, allowing WEGO to analyze multiple datasets. Also added in this version are the reference datasets of nine model species that can be adopted as baselines in genomic comparative analyses. Furthermore, in the analyzing processes each Chi-square test is carried out for multiple datasets instead of every two samples. At last, WEGO 2.0 provides an additional output graph along with the traditional WEGO histogram, displaying the sorted P-values of GO terms and indicating their significant differences. At the same time, WEGO 2.0 features an entirely new user interface. WEGO is available for free at http://wego.genomics.org.cn.

Knowledge-based approaches to the maintenance of a large controlled medical terminology.

PubMed Central

Cimino, J J; Clayton, P D; Hripcsak, G; Johnson, S B

1994-01-01

OBJECTIVE: Develop a knowledge-based representation for a controlled terminology of clinical information to facilitate creation, maintenance, and use of the terminology. DESIGN: The Medical Entities Dictionary (MED) is a semantic network, based on the Unified Medical Language System (UMLS), with a directed acyclic graph to represent multiple hierarchies. Terms from four hospital systems (laboratory, electrocardiography, medical records coding, and pharmacy) were added as nodes in the network. Additional knowledge about terms, added as semantic links, was used to assist in integration, harmonization, and automated classification of disparate terminologies. RESULTS: The MED contains 32,767 terms and is in active clinical use. Automated classification was successfully applied to terms for laboratory specimens, laboratory tests, and medications. One benefit of the approach has been the automated inclusion of medications into multiple pharmacologic and allergenic classes that were not present in the pharmacy system. Another benefit has been the reduction of maintenance efforts by 90%. CONCLUSION: The MED is a hybrid of terminology and knowledge. It provides domain coverage, synonymy, consistency of views, explicit relationships, and multiple classification while preventing redundancy, ambiguity (homonymy) and misclassification. PMID:7719786

PANDA: Protein function prediction using domain architecture and affinity propagation.

PubMed

Wang, Zheng; Zhao, Chenguang; Wang, Yiheng; Sun, Zheng; Wang, Nan

2018-02-22

We developed PANDA (Propagation of Affinity and Domain Architecture) to predict protein functions in the format of Gene Ontology (GO) terms. PANDA at first executes profile-profile alignment algorithm to search against PfamA, KOG, COG, and SwissProt databases, and then launches PSI-BLAST against UniProt for homologue search. PANDA integrates a domain architecture inference algorithm based on the Bayesian statistics that calculates the probability of having a GO term. All the candidate GO terms are pooled and filtered based on Z-score. After that, the remaining GO terms are clustered using an affinity propagation algorithm based on the GO directed acyclic graph, followed by a second round of filtering on the clusters of GO terms. We benchmarked the performance of all the baseline predictors PANDA integrates and also for every pooling and filtering step of PANDA. It can be found that PANDA achieves better performances in terms of area under the curve for precision and recall compared to the baseline predictors. PANDA can be accessed from http://dna.cs.miami.edu/PANDA/ .

Causal Analysis After Haavelmo

PubMed Central

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

Radiofrequency Electromagnetic Radiation and Memory Performance: Sources of Uncertainty in Epidemiological Cohort Studies.

PubMed

Brzozek, Christopher; Benke, Kurt K; Zeleke, Berihun M; Abramson, Michael J; Benke, Geza

2018-03-26

Uncertainty in experimental studies of exposure to radiation from mobile phones has in the past only been framed within the context of statistical variability. It is now becoming more apparent to researchers that epistemic or reducible uncertainties can also affect the total error in results. These uncertainties are derived from a wide range of sources including human error, such as data transcription, model structure, measurement and linguistic errors in communication. The issue of epistemic uncertainty is reviewed and interpreted in the context of the MoRPhEUS, ExPOSURE and HERMES cohort studies which investigate the effect of radiofrequency electromagnetic radiation from mobile phones on memory performance. Research into this field has found inconsistent results due to limitations from a range of epistemic sources. Potential analytic approaches are suggested based on quantification of epistemic error using Monte Carlo simulation. It is recommended that future studies investigating the relationship between radiofrequency electromagnetic radiation and memory performance pay more attention to treatment of epistemic uncertainties as well as further research into improving exposure assessment. Use of directed acyclic graphs is also encouraged to display the assumed covariate relationship.

Folding and unfolding phylogenetic trees and networks.

PubMed

Huber, Katharina T; Moulton, Vincent; Steel, Mike; Wu, Taoyang

2016-12-01

Phylogenetic networks are rooted, labelled directed acyclic graphswhich are commonly used to represent reticulate evolution. There is a close relationship between phylogenetic networks and multi-labelled trees (MUL-trees). Indeed, any phylogenetic network N can be "unfolded" to obtain a MUL-tree U(N) and, conversely, a MUL-tree T can in certain circumstances be "folded" to obtain aphylogenetic network F(T) that exhibits T. In this paper, we study properties of the operations U and F in more detail. In particular, we introduce the class of stable networks, phylogenetic networks N for which F(U(N)) is isomorphic to N, characterise such networks, and show that they are related to the well-known class of tree-sibling networks. We also explore how the concept of displaying a tree in a network N can be related to displaying the tree in the MUL-tree U(N). To do this, we develop aphylogenetic analogue of graph fibrations. This allows us to view U(N) as the analogue of the universal cover of a digraph, and to establish a close connection between displaying trees in U(N) and reconciling phylogenetic trees with networks.

A postprocessing method in the HMC framework for predicting gene function based on biological instrumental data

NASA Astrophysics Data System (ADS)

Feng, Shou; Fu, Ping; Zheng, Wenbin

2018-03-01

Predicting gene function based on biological instrumental data is a complicated and challenging hierarchical multi-label classification (HMC) problem. When using local approach methods to solve this problem, a preliminary results processing method is usually needed. This paper proposed a novel preliminary results processing method called the nodes interaction method. The nodes interaction method revises the preliminary results and guarantees that the predictions are consistent with the hierarchy constraint. This method exploits the label dependency and considers the hierarchical interaction between nodes when making decisions based on the Bayesian network in its first phase. In the second phase, this method further adjusts the results according to the hierarchy constraint. Implementing the nodes interaction method in the HMC framework also enhances the HMC performance for solving the gene function prediction problem based on the Gene Ontology (GO), the hierarchy of which is a directed acyclic graph that is more difficult to tackle. The experimental results validate the promising performance of the proposed method compared to state-of-the-art methods on eight benchmark yeast data sets annotated by the GO.

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

PubMed

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.

Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.

The synthesis and anion binding properties of novel halogen-bonding (XB) bis-iodotriazole-pyridinium-containing acyclic and [2]catenane anion host systems are described. The XB acyclic receptor displays selectivity for acetate over halides with enhanced anion recognition properties compared to the analogous hydrogen-bonding (HB) acyclic receptor. A reversal in halide selectivity is observed in the XB [2]catenane, in comparison to the acyclic XB receptor, due to the interlocked host’s unique three-dimensional binding cavity, and no binding is observed for oxoanions. Notable halide anion association constant values determined for the [2]catenane in competitive organic–aqueous solvent mixtures demonstrate considerable enhancement of anion recognition as compared tomore » the HB catenane analogue. X-ray crystallographic analysis of a series of halide catenane complexes reveal strong XB interactions in the solid state. These interactions were studied using Cl and Br K-edge X-ray Absorption Spectroscopy (XAS) indicating intense pre-edge features characteristic of charge transfer from the halide to its bonding partner (σ AX←X–* ← X1s), and providing a direct measure of the degree of covalency in the halogen bond(s). Lastly, the data reveal that the degree of covalency is similar to that which is observed in transition metal coordinate covalent bonds. These results are supported by DFT results, which correlate well with the experimental data.« less

Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition

DOE PAGES

Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; ...

2014-12-05

The synthesis and anion binding properties of novel halogen-bonding (XB) bis-iodotriazole-pyridinium-containing acyclic and [2]catenane anion host systems are described. The XB acyclic receptor displays selectivity for acetate over halides with enhanced anion recognition properties compared to the analogous hydrogen-bonding (HB) acyclic receptor. A reversal in halide selectivity is observed in the XB [2]catenane, in comparison to the acyclic XB receptor, due to the interlocked host’s unique three-dimensional binding cavity, and no binding is observed for oxoanions. Notable halide anion association constant values determined for the [2]catenane in competitive organic–aqueous solvent mixtures demonstrate considerable enhancement of anion recognition as compared tomore » the HB catenane analogue. X-ray crystallographic analysis of a series of halide catenane complexes reveal strong XB interactions in the solid state. These interactions were studied using Cl and Br K-edge X-ray Absorption Spectroscopy (XAS) indicating intense pre-edge features characteristic of charge transfer from the halide to its bonding partner (σ AX←X–* ← X1s), and providing a direct measure of the degree of covalency in the halogen bond(s). Lastly, the data reveal that the degree of covalency is similar to that which is observed in transition metal coordinate covalent bonds. These results are supported by DFT results, which correlate well with the experimental data.« less

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

NASA Astrophysics Data System (ADS)

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.

Global network structure of dominance hierarchy of ant workers.

PubMed

Shimoji, Hiroyuki; Abe, Masato S; Tsuji, Kazuki; Masuda, Naoki

2014-10-06

Dominance hierarchy among animals is widespread in various species and believed to serve to regulate resource allocation within an animal group. Unlike small groups, however, detection and quantification of linear hierarchy in large groups of animals are a difficult task. Here, we analyse aggression-based dominance hierarchies formed by worker ants in Diacamma sp. as large directed networks. We show that the observed dominance networks are perfect or approximate directed acyclic graphs, which are consistent with perfect linear hierarchy. The observed networks are also sparse and random but significantly different from networks generated through thinning of the perfect linear tournament (i.e. all individuals are linearly ranked and dominance relationship exists between every pair of individuals). These results pertain to global structure of the networks, which contrasts with the previous studies inspecting frequencies of different types of triads. In addition, the distribution of the out-degree (i.e. number of workers that the focal worker attacks), not in-degree (i.e. number of workers that attack the focal worker), of each observed network is right-skewed. Those having excessively large out-degrees are located near the top, but not the top, of the hierarchy. We also discuss evolutionary implications of the discovered properties of dominance networks. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Global network structure of dominance hierarchy of ant workers

PubMed Central

Shimoji, Hiroyuki; Abe, Masato S.; Tsuji, Kazuki; Masuda, Naoki

2014-01-01

Dominance hierarchy among animals is widespread in various species and believed to serve to regulate resource allocation within an animal group. Unlike small groups, however, detection and quantification of linear hierarchy in large groups of animals are a difficult task. Here, we analyse aggression-based dominance hierarchies formed by worker ants in Diacamma sp. as large directed networks. We show that the observed dominance networks are perfect or approximate directed acyclic graphs, which are consistent with perfect linear hierarchy. The observed networks are also sparse and random but significantly different from networks generated through thinning of the perfect linear tournament (i.e. all individuals are linearly ranked and dominance relationship exists between every pair of individuals). These results pertain to global structure of the networks, which contrasts with the previous studies inspecting frequencies of different types of triads. In addition, the distribution of the out-degree (i.e. number of workers that the focal worker attacks), not in-degree (i.e. number of workers that attack the focal worker), of each observed network is right-skewed. Those having excessively large out-degrees are located near the top, but not the top, of the hierarchy. We also discuss evolutionary implications of the discovered properties of dominance networks. PMID:25100318

Operational resilience: concepts, design and analysis

NASA Astrophysics Data System (ADS)

Ganin, Alexander A.; Massaro, Emanuele; Gutfraind, Alexander; Steen, Nicolas; Keisler, Jeffrey M.; Kott, Alexander; Mangoubi, Rami; Linkov, Igor

2016-01-01

Building resilience into today’s complex infrastructures is critical to the daily functioning of society and its ability to withstand and recover from natural disasters, epidemics, and cyber-threats. This study proposes quantitative measures that capture and implement the definition of engineering resilience advanced by the National Academy of Sciences. The approach is applicable across physical, information, and social domains. It evaluates the critical functionality, defined as a performance function of time set by the stakeholders. Critical functionality is a source of valuable information, such as the integrated system resilience over a time interval, and its robustness. The paper demonstrates the formulation on two classes of models: 1) multi-level directed acyclic graphs, and 2) interdependent coupled networks. For both models synthetic case studies are used to explore trends. For the first class, the approach is also applied to the Linux operating system. Results indicate that desired resilience and robustness levels are achievable by trading off different design parameters, such as redundancy, node recovery time, and backup supply available. The nonlinear relationship between network parameters and resilience levels confirms the utility of the proposed approach, which is of benefit to analysts and designers of complex systems and networks.

Recognizing human activities using appearance metric feature and kinematics feature

NASA Astrophysics Data System (ADS)

Qian, Huimin; Zhou, Jun; Lu, Xinbiao; Wu, Xinye

2017-05-01

The problem of automatically recognizing human activities from videos through the fusion of the two most important cues, appearance metric feature and kinematics feature, is considered. And a system of two-dimensional (2-D) Poisson equations is introduced to extract the more discriminative appearance metric feature. Specifically, the moving human blobs are first detected out from the video by background subtraction technique to form a binary image sequence, from which the appearance feature designated as the motion accumulation image and the kinematics feature termed as centroid instantaneous velocity are extracted. Second, 2-D discrete Poisson equations are employed to reinterpret the motion accumulation image to produce a more differentiated Poisson silhouette image, from which the appearance feature vector is created through the dimension reduction technique called bidirectional 2-D principal component analysis, considering the balance between classification accuracy and time consumption. Finally, a cascaded classifier based on the nearest neighbor classifier and two directed acyclic graph support vector machine classifiers, integrated with the fusion of the appearance feature vector and centroid instantaneous velocity vector, is applied to recognize the human activities. Experimental results on the open databases and a homemade one confirm the recognition performance of the proposed algorithm.

YAHA: fast and flexible long-read alignment with optimal breakpoint detection.

PubMed

Faust, Gregory G; Hall, Ira M

2012-10-01

With improved short-read assembly algorithms and the recent development of long-read sequencers, split mapping will soon be the preferred method for structural variant (SV) detection. Yet, current alignment tools are not well suited for this. We present YAHA, a fast and flexible hash-based aligner. YAHA is as fast and accurate as BWA-SW at finding the single best alignment per query and is dramatically faster and more sensitive than both SSAHA2 and MegaBLAST at finding all possible alignments. Unlike other aligners that report all, or one, alignment per query, or that use simple heuristics to select alignments, YAHA uses a directed acyclic graph to find the optimal set of alignments that cover a query using a biologically relevant breakpoint penalty. YAHA can also report multiple mappings per defined segment of the query. We show that YAHA detects more breakpoints in less time than BWA-SW across all SV classes, and especially excels at complex SVs comprising multiple breakpoints. YAHA is currently supported on 64-bit Linux systems. Binaries and sample data are freely available for download from http://faculty.virginia.edu/irahall/YAHA. imh4y@virginia.edu.

Operational resilience: concepts, design and analysis

PubMed Central

Ganin, Alexander A.; Massaro, Emanuele; Gutfraind, Alexander; Steen, Nicolas; Keisler, Jeffrey M.; Kott, Alexander; Mangoubi, Rami; Linkov, Igor

2016-01-01

Building resilience into today’s complex infrastructures is critical to the daily functioning of society and its ability to withstand and recover from natural disasters, epidemics, and cyber-threats. This study proposes quantitative measures that capture and implement the definition of engineering resilience advanced by the National Academy of Sciences. The approach is applicable across physical, information, and social domains. It evaluates the critical functionality, defined as a performance function of time set by the stakeholders. Critical functionality is a source of valuable information, such as the integrated system resilience over a time interval, and its robustness. The paper demonstrates the formulation on two classes of models: 1) multi-level directed acyclic graphs, and 2) interdependent coupled networks. For both models synthetic case studies are used to explore trends. For the first class, the approach is also applied to the Linux operating system. Results indicate that desired resilience and robustness levels are achievable by trading off different design parameters, such as redundancy, node recovery time, and backup supply available. The nonlinear relationship between network parameters and resilience levels confirms the utility of the proposed approach, which is of benefit to analysts and designers of complex systems and networks. PMID:26782180

The MPO system for automatic workflow documentation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abla, G.; Coviello, E. N.; Flanagan, S. M.

Data from large-scale experiments and extreme-scale computing is expensive to produce and may be used for critical applications. However, it is not the mere existence of data that is important, but our ability to make use of it. Experience has shown that when metadata is better organized and more complete, the underlying data becomes more useful. Traditionally, capturing the steps of scientific workflows and metadata was the role of the lab notebook, but the digital era has resulted instead in the fragmentation of data, processing, and annotation. Here, this article presents the Metadata, Provenance, and Ontology (MPO) System, the softwaremore » that can automate the documentation of scientific workflows and associated information. Based on recorded metadata, it provides explicit information about the relationships among the elements of workflows in notebook form augmented with directed acyclic graphs. A set of web-based graphical navigation tools and Application Programming Interface (API) have been created for searching and browsing, as well as programmatically accessing the workflows and data. We describe the MPO concepts and its software architecture. We also report the current status of the software as well as the initial deployment experience.« less

Giving birth and returning to work: the impact of work-family conflict on women's health after childbirth.

PubMed

Grice, Mira M; Feda, Denise; McGovern, Patricia; Alexander, Bruce H; McCaffrey, David; Ukestad, Laurie

2007-10-01

Since 1970, women of childbearing age have increasingly participated in the workforce. However, literature on work-family conflict has not specifically addressed the health of postpartum women. This study examined the relationship between work-family conflict and mental and physical health of employed mothers 11 weeks after childbirth. Employed women, 18 years and older, were recruited while in the hospital for childbirth (N = 817; 71% response rate). Mental and physical health at 11 weeks postpartum was measured using SF-12 version 2. General linear models estimated the associations between the independent variables and health. A priori causal models and directed acyclic graphs guided selection of confounding variables. Analyses revealed that high levels of work interference with family were associated with significantly lower mental health scores. Medium and high levels of family interference with work revealed a dose-response relationship resulting in significantly worse mental health scores. Coworker support was strongly and positively associated with better physical health. Work-family conflict was negatively associated with mental health but not significantly associated with physical health. Availability of social support may relieve the burden women can experience when balancing work roles and family obligations.

The MPO system for automatic workflow documentation

DOE PAGES

Abla, G.; Coviello, E. N.; Flanagan, S. M.; ...

2016-04-18

Data from large-scale experiments and extreme-scale computing is expensive to produce and may be used for critical applications. However, it is not the mere existence of data that is important, but our ability to make use of it. Experience has shown that when metadata is better organized and more complete, the underlying data becomes more useful. Traditionally, capturing the steps of scientific workflows and metadata was the role of the lab notebook, but the digital era has resulted instead in the fragmentation of data, processing, and annotation. Here, this article presents the Metadata, Provenance, and Ontology (MPO) System, the softwaremore » that can automate the documentation of scientific workflows and associated information. Based on recorded metadata, it provides explicit information about the relationships among the elements of workflows in notebook form augmented with directed acyclic graphs. A set of web-based graphical navigation tools and Application Programming Interface (API) have been created for searching and browsing, as well as programmatically accessing the workflows and data. We describe the MPO concepts and its software architecture. We also report the current status of the software as well as the initial deployment experience.« less

Radiofrequency Electromagnetic Radiation and Memory Performance: Sources of Uncertainty in Epidemiological Cohort Studies

PubMed Central

Zeleke, Berihun M.; Abramson, Michael J.; Benke, Geza

2018-01-01

Uncertainty in experimental studies of exposure to radiation from mobile phones has in the past only been framed within the context of statistical variability. It is now becoming more apparent to researchers that epistemic or reducible uncertainties can also affect the total error in results. These uncertainties are derived from a wide range of sources including human error, such as data transcription, model structure, measurement and linguistic errors in communication. The issue of epistemic uncertainty is reviewed and interpreted in the context of the MoRPhEUS, ExPOSURE and HERMES cohort studies which investigate the effect of radiofrequency electromagnetic radiation from mobile phones on memory performance. Research into this field has found inconsistent results due to limitations from a range of epistemic sources. Potential analytic approaches are suggested based on quantification of epistemic error using Monte Carlo simulation. It is recommended that future studies investigating the relationship between radiofrequency electromagnetic radiation and memory performance pay more attention to treatment of epistemic uncertainties as well as further research into improving exposure assessment. Use of directed acyclic graphs is also encouraged to display the assumed covariate relationship. PMID:29587425

Analyzing risks of adverse pregnancy outcomes.

PubMed

Kramer, Michael S; Zhang, Xun; Platt, Robert W

2014-02-01

Approaches for analyzing the risks of adverse pregnancy outcomes have been the source of much debate and many publications. Much of the problem, in our view, is the conflation of time at risk with gestational age at birth (or birth weight, a proxy for gestational age). We consider the causal questions underlying such analyses with the help of a generic directed acyclic graph. We discuss competing risks and populations at risk in the context of appropriate numerators and denominators, respectively. We summarize 3 different approaches to quantifying risks with respect to gestational age, each of which addresses a distinct etiological or prognostic question (i.e., cumulative risk, prospective risk, or instantaneous risk (hazard)) and suggest the appropriate denominators for each. We show how the gestational age-specific risk of perinatal death (PND) can be decomposed as the product of the gestational age-specific risk of birth and the risk of PND conditional on birth at a given gestational age. Finally, we demonstrate how failure to consider the first of these 2 risks leads to selection bias. This selection bias creates the well-known crossover paradox, thus obviating the need to posit common causes of early birth and PND other than the study exposure.

Scalable Performance Environments for Parallel Systems

NASA Technical Reports Server (NTRS)

Reed, Daniel A.; Olson, Robert D.; Aydt, Ruth A.; Madhyastha, Tara M.; Birkett, Thomas; Jensen, David W.; Nazief, Bobby A. A.; Totty, Brian K.

1991-01-01

As parallel systems expand in size and complexity, the absence of performance tools for these parallel systems exacerbates the already difficult problems of application program and system software performance tuning. Moreover, given the pace of technological change, we can no longer afford to develop ad hoc, one-of-a-kind performance instrumentation software; we need scalable, portable performance analysis tools. We describe an environment prototype based on the lessons learned from two previous generations of performance data analysis software. Our environment prototype contains a set of performance data transformation modules that can be interconnected in user-specified ways. It is the responsibility of the environment infrastructure to hide details of module interconnection and data sharing. The environment is written in C++ with the graphical displays based on X windows and the Motif toolkit. It allows users to interconnect and configure modules graphically to form an acyclic, directed data analysis graph. Performance trace data are represented in a self-documenting stream format that includes internal definitions of data types, sizes, and names. The environment prototype supports the use of head-mounted displays and sonic data presentation in addition to the traditional use of visual techniques.

Operational resilience: concepts, design and analysis.

PubMed

Ganin, Alexander A; Massaro, Emanuele; Gutfraind, Alexander; Steen, Nicolas; Keisler, Jeffrey M; Kott, Alexander; Mangoubi, Rami; Linkov, Igor

2016-01-19

Building resilience into today's complex infrastructures is critical to the daily functioning of society and its ability to withstand and recover from natural disasters, epidemics, and cyber-threats. This study proposes quantitative measures that capture and implement the definition of engineering resilience advanced by the National Academy of Sciences. The approach is applicable across physical, information, and social domains. It evaluates the critical functionality, defined as a performance function of time set by the stakeholders. Critical functionality is a source of valuable information, such as the integrated system resilience over a time interval, and its robustness. The paper demonstrates the formulation on two classes of models: 1) multi-level directed acyclic graphs, and 2) interdependent coupled networks. For both models synthetic case studies are used to explore trends. For the first class, the approach is also applied to the Linux operating system. Results indicate that desired resilience and robustness levels are achievable by trading off different design parameters, such as redundancy, node recovery time, and backup supply available. The nonlinear relationship between network parameters and resilience levels confirms the utility of the proposed approach, which is of benefit to analysts and designers of complex systems and networks.

Bayesian and Phylogenic Approaches for Studying Relationships among Table Olive Cultivars.

PubMed

Ben Ayed, Rayda; Ennouri, Karim; Ben Amar, Fathi; Moreau, Fabienne; Triki, Mohamed Ali; Rebai, Ahmed

2017-08-01

To enhance table olive tree authentication, relationship, and productivity, we consider the analysis of 18 worldwide table olive cultivars (Olea europaea L.) based on morphological, biological, and physicochemical markers analyzed by bioinformatic and biostatistic tools. Accordingly, we assess the relationships between the studied varieties, on the one hand, and the potential productivity-quantitative parameter links on the other hand. The bioinformatic analysis based on the graphical representation of the matrix of Euclidean distances, the principal components analysis, unweighted pair group method with arithmetic mean, and principal coordinate analysis (PCoA) revealed three major clusters which were not correlated with the geographic origin. The statistical analysis based on Kendall's and Spearman correlation coefficients suggests two highly significant associations with both fruit color and pollinization and the productivity character. These results are confirmed by the multiple linear regression prediction models. In fact, based on the coefficient of determination (R 2 ) value, the best model demonstrated the power of the pollinization on the tree productivity (R 2  = 0.846). Moreover, the derived directed acyclic graph showed that only two direct influences are detected: effect of tolerance on fruit and stone symmetry on side and effect of tolerance on stone form and oil content on the other side. This work provides better understanding of the diversity available in worldwide table olive cultivars and supplies an important contribution for olive breeding and authenticity.

Bayesian network ensemble as a multivariate strategy to predict radiation pneumonitis risk

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Sangkyu, E-mail: sangkyu.lee@mail.mcgill.ca; Ybarra, Norma; Jeyaseelan, Krishinima

2015-05-15

Purpose: Prediction of radiation pneumonitis (RP) has been shown to be challenging due to the involvement of a variety of factors including dose–volume metrics and radiosensitivity biomarkers. Some of these factors are highly correlated and might affect prediction results when combined. Bayesian network (BN) provides a probabilistic framework to represent variable dependencies in a directed acyclic graph. The aim of this study is to integrate the BN framework and a systems’ biology approach to detect possible interactions among RP risk factors and exploit these relationships to enhance both the understanding and prediction of RP. Methods: The authors studied 54 nonsmall-cellmore » lung cancer patients who received curative 3D-conformal radiotherapy. Nineteen RP events were observed (common toxicity criteria for adverse events grade 2 or higher). Serum concentration of the following four candidate biomarkers were measured at baseline and midtreatment: alpha-2-macroglobulin, angiotensin converting enzyme (ACE), transforming growth factor, interleukin-6. Dose-volumetric and clinical parameters were also included as covariates. Feature selection was performed using a Markov blanket approach based on the Koller–Sahami filter. The Markov chain Monte Carlo technique estimated the posterior distribution of BN graphs built from the observed data of the selected variables and causality constraints. RP probability was estimated using a limited number of high posterior graphs (ensemble) and was averaged for the final RP estimate using Bayes’ rule. A resampling method based on bootstrapping was applied to model training and validation in order to control under- and overfit pitfalls. Results: RP prediction power of the BN ensemble approach reached its optimum at a size of 200. The optimized performance of the BN model recorded an area under the receiver operating characteristic curve (AUC) of 0.83, which was significantly higher than multivariate logistic regression (0.77), mean heart dose (0.69), and a pre-to-midtreatment change in ACE (0.66). When RP prediction was made only with pretreatment information, the AUC ranged from 0.76 to 0.81 depending on the ensemble size. Bootstrap validation of graph features in the ensemble quantified confidence of association between variables in the graphs where ten interactions were statistically significant. Conclusions: The presented BN methodology provides the flexibility to model hierarchical interactions between RP covariates, which is applied to probabilistic inference on RP. The authors’ preliminary results demonstrate that such framework combined with an ensemble method can possibly improve prediction of RP under real-life clinical circumstances such as missing data or treatment plan adaptation.« less

Direct Synthesis of Medium-Bridged Twisted Amides via a Transannular Cyclization Strategy

PubMed Central

Szostak, Michal; Aubé, Jeffrey

2009-01-01

The sequential RCM to construct a challenging medium-sized ring followed by a transannular cyclization across a medium-sized ring delivers previously unattainable twisted amides from simple acyclic precursors. PMID:19708701

High-Speed Computation of the Kleene Star in Max-Plus Algebraic System Using a Cell Broadband Engine

NASA Astrophysics Data System (ADS)

Goto, Hiroyuki

This research addresses a high-speed computation method for the Kleene star of the weighted adjacency matrix in a max-plus algebraic system. We focus on systems whose precedence constraints are represented by a directed acyclic graph and implement it on a Cell Broadband Engine™ (CBE) processor. Since the resulting matrix gives the longest travel times between two adjacent nodes, it is often utilized in scheduling problem solvers for a class of discrete event systems. This research, in particular, attempts to achieve a speedup by using two approaches: parallelization and SIMDization (Single Instruction, Multiple Data), both of which can be accomplished by a CBE processor. The former refers to a parallel computation using multiple cores, while the latter is a method whereby multiple elements are computed by a single instruction. Using the implementation on a Sony PlayStation 3™ equipped with a CBE processor, we found that the SIMDization is effective regardless of the system's size and the number of processor cores used. We also found that the scalability of using multiple cores is remarkable especially for systems with a large number of nodes. In a numerical experiment where the number of nodes is 2000, we achieved a speedup of 20 times compared with the method without the above techniques.

Theoretical Basis of the Test-Negative Study Design for Assessment of Influenza Vaccine Effectiveness

PubMed Central

Sullivan, Sheena G.; Tchetgen Tchetgen, Eric J.; Cowling, Benjamin J.

2016-01-01

Influenza viruses undergo frequent antigenic changes. As a result, the viruses circulating change within and between seasons, and the composition of the influenza vaccine is updated annually. Thus, estimation of the vaccine's effectiveness is not constant across seasons. In order to provide annual estimates of the influenza vaccine's effectiveness, health departments have increasingly adopted the “test-negative design,” using enhanced data from routine surveillance systems. In this design, patients presenting to participating general practitioners with influenza-like illness are swabbed for laboratory testing; those testing positive for influenza virus are defined as cases, and those testing negative form the comparison group. Data on patients' vaccination histories and confounder profiles are also collected. Vaccine effectiveness is estimated from the odds ratio comparing the odds of testing positive for influenza among vaccinated patients and unvaccinated patients, adjusting for confounders. The test-negative design is purported to reduce bias associated with confounding by health-care-seeking behavior and misclassification of cases. In this paper, we use directed acyclic graphs to characterize potential biases in studies of influenza vaccine effectiveness using the test-negative design. We show how studies using this design can avoid or minimize bias and where bias may be introduced with particular study design variations. PMID:27587721

Bias with respect to socioeconomic status: A closer look at zip code matching in a pneumococcal vaccine effectiveness study.

PubMed

Link-Gelles, Ruth; Westreich, Daniel; Aiello, Allison E; Shang, Nong; Weber, David J; Holtzman, Corinne; Scherzinger, Karen; Reingold, Arthur; Schaffner, William; Harrison, Lee H; Rosen, Jennifer B; Petit, Susan; Farley, Monica; Thomas, Ann; Eason, Jeffrey; Wigen, Christine; Barnes, Meghan; Thomas, Ola; Zansky, Shelley; Beall, Bernard; Whitney, Cynthia G; Moore, Matthew R

2016-12-01

In 2010, 13-valent pneumococcal conjugate vaccine (PCV13) was introduced in the US for prevention of invasive pneumococcal disease in children. Individual-level socioeconomic status (SES) is a potential confounder of the estimated effectiveness of PCV13 and is often controlled for in observational studies using zip code as a proxy. We assessed the utility of zip code matching for control of SES in a post-licensure evaluation of the effectiveness of PCV13 (calculated as [1-matched odds ratio]*100). We used a directed acyclic graph to identify subsets of confounders and collected SES variables from birth certificates, geo-coding, a parent interview, and follow-up with medical providers. Cases tended to be more affluent than eligible controls (for example, 48.3% of cases had private insurance vs. 44.6% of eligible controls), but less affluent than enrolled controls (52.9% of whom had private insurance). Control of confounding subsets, however, did not result in a meaningful change in estimated vaccine effectiveness (original estimate: 85.1%, 95% CI 74.8-91.9%; adjusted estimate: 82.5%, 95% CI 65.6-91.1%). In the context of a post-licensure vaccine effectiveness study, zip code appears to be an adequate, though not perfect, proxy for individual SES.

Errors in causal inference: an organizational schema for systematic error and random error.

PubMed

Suzuki, Etsuji; Tsuda, Toshihide; Mitsuhashi, Toshiharu; Mansournia, Mohammad Ali; Yamamoto, Eiji

2016-11-01

To provide an organizational schema for systematic error and random error in estimating causal measures, aimed at clarifying the concept of errors from the perspective of causal inference. We propose to divide systematic error into structural error and analytic error. With regard to random error, our schema shows its four major sources: nondeterministic counterfactuals, sampling variability, a mechanism that generates exposure events and measurement variability. Structural error is defined from the perspective of counterfactual reasoning and divided into nonexchangeability bias (which comprises confounding bias and selection bias) and measurement bias. Directed acyclic graphs are useful to illustrate this kind of error. Nonexchangeability bias implies a lack of "exchangeability" between the selected exposed and unexposed groups. A lack of exchangeability is not a primary concern of measurement bias, justifying its separation from confounding bias and selection bias. Many forms of analytic errors result from the small-sample properties of the estimator used and vanish asymptotically. Analytic error also results from wrong (misspecified) statistical models and inappropriate statistical methods. Our organizational schema is helpful for understanding the relationship between systematic error and random error from a previously less investigated aspect, enabling us to better understand the relationship between accuracy, validity, and precision. Copyright © 2016 Elsevier Inc. All rights reserved.

The Particle Physics Data Grid. Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Livny, Miron

2002-08-16

The main objective of the Particle Physics Data Grid (PPDG) project has been to implement and evaluate distributed (Grid-enabled) data access and management technology for current and future particle and nuclear physics experiments. The specific goals of PPDG have been to design, implement, and deploy a Grid-based software infrastructure capable of supporting the data generation, processing and analysis needs common to the physics experiments represented by the participants, and to adapt experiment-specific software to operate in the Grid environment and to exploit this infrastructure. To accomplish these goals, the PPDG focused on the implementation and deployment of several critical services:more » reliable and efficient file replication service, high-speed data transfer services, multisite file caching and staging service, and reliable and recoverable job management services. The focus of the activity was the job management services and the interplay between these services and distributed data access in a Grid environment. Software was developed to study the interaction between HENP applications and distributed data storage fabric. One key conclusion was the need for a reliable and recoverable tool for managing large collections of interdependent jobs. An attached document provides an overview of the current status of the Directed Acyclic Graph Manager (DAGMan) with its main features and capabilities.« less

Using the gene ontology to scan multilevel gene sets for associations in genome wide association studies.

PubMed

Schaid, Daniel J; Sinnwell, Jason P; Jenkins, Gregory D; McDonnell, Shannon K; Ingle, James N; Kubo, Michiaki; Goss, Paul E; Costantino, Joseph P; Wickerham, D Lawrence; Weinshilboum, Richard M

2012-01-01

Gene-set analyses have been widely used in gene expression studies, and some of the developed methods have been extended to genome wide association studies (GWAS). Yet, complications due to linkage disequilibrium (LD) among single nucleotide polymorphisms (SNPs), and variable numbers of SNPs per gene and genes per gene-set, have plagued current approaches, often leading to ad hoc "fixes." To overcome some of the current limitations, we developed a general approach to scan GWAS SNP data for both gene-level and gene-set analyses, building on score statistics for generalized linear models, and taking advantage of the directed acyclic graph structure of the gene ontology when creating gene-sets. However, other types of gene-set structures can be used, such as the popular Kyoto Encyclopedia of Genes and Genomes (KEGG). Our approach combines SNPs into genes, and genes into gene-sets, but assures that positive and negative effects of genes on a trait do not cancel. To control for multiple testing of many gene-sets, we use an efficient computational strategy that accounts for LD and provides accurate step-down adjusted P-values for each gene-set. Application of our methods to two different GWAS provide guidance on the potential strengths and weaknesses of our proposed gene-set analyses. © 2011 Wiley Periodicals, Inc.

Correlates of prediabetes and type II diabetes in US South Asians: findings from the Mediators of Atherosclerosis in South Asians Living in America (MASALA) study.

PubMed

Shah, Arti D; Vittinghoff, Eric; Kandula, Namratha R; Srivastava, Shweta; Kanaya, Alka M

2015-02-01

In this study, we aim to elucidate the role of sociodemographic, lifestyle, and cultural factors in prediabetes and diabetes in South Asian immigrants to the United States, a population at high risk of type II diabetes. We performed a cross-sectional analysis of a community-based cohort of 899 South Asians without known cardiovascular disease from the Mediators of Atherosclerosis in South Asians Living in America study. Glycemic status was determined by fasting glucose, 2-hour postchallenge glucose, and use of diabetes medication. We used multinomial logistic regression models to estimate the independent associations of sociodemographic, lifestyle, and cultural factors with prediabetes and diabetes, adjusting for confounders identified using directed acyclic graphs. Approximately 33% of participants had prediabetes and 25% had diabetes. In multivariate analyses, an independent correlate of prediabetes was low exercise. Additional covariates associated with diabetes included lower family income, less education, high chronic psychological burden score, and greater time spent watching television; and fasting monthly or annually was inversely associated with diabetes prevalence. We found several modifiable risk factors associated with prediabetes and diabetes that may help guide diabetes prevention interventions for South Asian immigrants to the United States. Copyright © 2015 Elsevier Inc. All rights reserved.

Using Semantic Association to Extend and Infer Literature-Oriented Relativity Between Terms.

PubMed

Cheng, Liang; Li, Jie; Hu, Yang; Jiang, Yue; Liu, Yongzhuang; Chu, Yanshuo; Wang, Zhenxing; Wang, Yadong

2015-01-01

Relative terms often appear together in the literature. Methods have been presented for weighting relativity of pairwise terms by their co-occurring literature and inferring new relationship. Terms in the literature are also in the directed acyclic graph of ontologies, such as Gene Ontology and Disease Ontology. Therefore, semantic association between terms may help for establishing relativities between terms in literature. However, current methods do not use these associations. In this paper, an adjusted R-scaled score (ARSS) based on information content (ARSSIC) method is introduced to infer new relationship between terms. First, set inclusion relationship between terms of ontology was exploited to extend relationships between these terms and literature. Next, the ARSS method was presented to measure relativity between terms across ontologies according to these extensional relationships. Then, the ARSSIC method using ratios of information shared of term's ancestors was designed to infer new relationship between terms across ontologies. The result of the experiment shows that ARSS identified more pairs of statistically significant terms based on corresponding gene sets than other methods. And the high average area under the receiver operating characteristic curve (0.9293) shows that ARSSIC achieved a high true positive rate and a low false positive rate. Data is available at http://mlg.hit.edu.cn/ARSSIC/.

Failure probability analysis of optical grid

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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.

Iridium-Catalyzed Diastereoselective and Enantioselective Allylic Substitutions with Acyclic α-Alkoxy Ketones

DOE PAGES

Jiang, Xingyu; Chen, Wenyong; Hartwig, John F.

2016-04-01

The asymmetric alkylation of acyclic ketones is a longstanding challenge in organic synthesis. Here, are the diastereoselective and enantioselective allylic substitutions with acyclic α-alkoxy ketones catalyzed by a metallacyclic iridium complex to form products with contiguous stereogenic centers derived from the nucleophile and electrophile. These reactions occur between allyl methyl carbonates and unstabilized copper(I) enolates generated in situ from acyclic α-alkoxy ketones. The resulting products can be readily converted into enantioenriched tertiary alcohols and tetrahydrofuran derivatives without erosion of enantiomeric purity.

Iridium-Catalyzed Diastereoselective and Enantioselective Allylic Substitutions with Acyclic α-Alkoxy Ketones

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Xingyu; Chen, Wenyong; Hartwig, John F.

The asymmetric alkylation of acyclic ketones is a longstanding challenge in organic synthesis. Here, are the diastereoselective and enantioselective allylic substitutions with acyclic α-alkoxy ketones catalyzed by a metallacyclic iridium complex to form products with contiguous stereogenic centers derived from the nucleophile and electrophile. These reactions occur between allyl methyl carbonates and unstabilized copper(I) enolates generated in situ from acyclic α-alkoxy ketones. The resulting products can be readily converted into enantioenriched tertiary alcohols and tetrahydrofuran derivatives without erosion of enantiomeric purity.

Fully automated lobe-based airway taper index calculation in a low dose MDCT CF study over 4 time-points

NASA Astrophysics Data System (ADS)

Weinheimer, Oliver; Wielpütz, Mark O.; Konietzke, Philip; Heussel, Claus P.; Kauczor, Hans-Ulrich; Brochhausen, Christoph; Hollemann, David; Savage, Dasha; Galbán, Craig J.; Robinson, Terry E.

2017-02-01

Cystic Fibrosis (CF) results in severe bronchiectasis in nearly all cases. Bronchiectasis is a disease where parts of the airways are permanently dilated. The development and the progression of bronchiectasis is not evenly distributed over the entire lungs - rather, individual functional units are affected differently. We developed a fully automated method for the precise calculation of lobe-based airway taper indices. To calculate taper indices, some preparatory algorithms are needed. The airway tree is segmented, skeletonized and transformed to a rooted acyclic graph. This graph is used to label the airways. Then a modified version of the previously validated integral based method (IBM) for airway geometry determination is utilized. The rooted graph, the airway lumen and wall information are then used to calculate the airway taper indices. Using a computer-generated phantom simulating 10 cross sections of airways we present results showing a high accuracy of the modified IBM. The new taper index calculation method was applied to 144 volumetric inspiratory low-dose MDCT scans. The scans were acquired from 36 children with mild CF at 4 time-points (baseline, 3 month, 1 year, 2 years). We found a moderate correlation with the visual lobar Brody bronchiectasis scores by three raters (r2 = 0.36, p < .0001). The taper index has the potential to be a precise imaging biomarker but further improvements are needed. In combination with other imaging biomarkers, taper index calculation can be an important tool for monitoring the progression and the individual treatment of patients with bronchiectasis.

Et3B-mediated and palladium-catalyzed direct allylation of β-dicarbonyl compounds with Morita–Baylis–Hillman alcohols

PubMed Central

Abidi, Ahlem; Oueslati, Yosra

2016-01-01

A practical and efficient palladium-catalyzed direct allylation of β-dicarbonyl compounds with both cyclic and acyclic Morita–Baylis–Hillman (MBH) alcohols, using Et3B as a Lewis acid promoter, is described herein. A wide range of the corresponding functionalized allylated derivatives have been obtained in good yields and with high selectivity. PMID:28144308

Network Coding for Function Computation

ERIC Educational Resources Information Center

Appuswamy, Rathinakumar

2011-01-01

In this dissertation, the following "network computing problem" is considered. Source nodes in a directed acyclic network generate independent messages and a single receiver node computes a target function f of the messages. The objective is to maximize the average number of times f can be computed per network usage, i.e., the "computing…

Accumulating Evidence and Research Organization (AERO) model: a new tool for representing, analyzing, and planning a translational research program.

PubMed

Hey, Spencer Phillips; Heilig, Charles M; Weijer, Charles

2013-05-30

Maximizing efficiency in drug development is important for drug developers, policymakers, and human subjects. Limited funds and the ethical imperative of risk minimization demand that researchers maximize the knowledge gained per patient-subject enrolled. Yet, despite a common perception that the current system of drug development is beset by inefficiencies, there remain few approaches for systematically representing, analyzing, and communicating the efficiency and coordination of the research enterprise. In this paper, we present the first steps toward developing such an approach: a graph-theoretic tool for representing the Accumulating Evidence and Research Organization (AERO) across a translational trajectory. This initial version of the AERO model focuses on elucidating two dimensions of robustness: (1) the consistency of results among studies with an identical or similar outcome metric; and (2) the concordance of results among studies with qualitatively different outcome metrics. The visual structure of the model is a directed acyclic graph, designed to capture these two dimensions of robustness and their relationship to three basic questions that underlie the planning of a translational research program: What is the accumulating state of total evidence? What has been the translational trajectory? What studies should be done next? We demonstrate the utility of the AERO model with an application to a case study involving the antibacterial agent, moxifloxacin, for the treatment of drug-susceptible tuberculosis. We then consider some possible elaborations for the AERO model and propose a number of ways in which the tool could be used to enhance the planning, reporting, and analysis of clinical trials. The AERO model provides an immediate visual representation of the number of studies done at any stage of research, depicting both the robustness of evidence and the relationship of each study to the larger translational trajectory. In so doing, it makes some of the invisible or inchoate properties of the research system explicit - helping to elucidate judgments about the accumulating state of evidence and supporting decision-making for future research.

Inverse Problems in Complex Models and Applications to Earth Sciences

NASA Astrophysics Data System (ADS)

Bosch, M. E.

2015-12-01

The inference of the subsurface earth structure and properties requires the integration of different types of data, information and knowledge, by combined processes of analysis and synthesis. To support the process of integrating information, the regular concept of data inversion is evolving to expand its application to models with multiple inner components (properties, scales, structural parameters) that explain multiple data (geophysical survey data, well-logs, core data). The probabilistic inference methods provide the natural framework for the formulation of these problems, considering a posterior probability density function (PDF) that combines the information from a prior information PDF and the new sets of observations. To formulate the posterior PDF in the context of multiple datasets, the data likelihood functions are factorized assuming independence of uncertainties for data originating across different surveys. A realistic description of the earth medium requires modeling several properties and structural parameters, which relate to each other according to dependency and independency notions. Thus, conditional probabilities across model components also factorize. A common setting proceeds by structuring the model parameter space in hierarchical layers. A primary layer (e.g. lithology) conditions a secondary layer (e.g. physical medium properties), which conditions a third layer (e.g. geophysical data). In general, less structured relations within model components and data emerge from the analysis of other inverse problems. They can be described with flexibility via direct acyclic graphs, which are graphs that map dependency relations between the model components. Examples of inverse problems in complex models can be shown at various scales. At local scale, for example, the distribution of gas saturation is inferred from pre-stack seismic data and a calibrated rock-physics model. At regional scale, joint inversion of gravity and magnetic data is applied for the estimation of lithological structure of the crust, with the lithotype body regions conditioning the mass density and magnetic susceptibility fields. At planetary scale, the Earth mantle temperature and element composition is inferred from seismic travel-time and geodetic data.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mitrani, J

Bayesian networks (BN) are an excellent tool for modeling uncertainties in systems with several interdependent variables. A BN is a directed acyclic graph, and consists of a structure, or the set of directional links between variables that depend on other variables, and conditional probabilities (CP) for each variable. In this project, we apply BN's to understand uncertainties in NIF ignition experiments. One can represent various physical properties of National Ignition Facility (NIF) capsule implosions as variables in a BN. A dataset containing simulations of NIF capsule implosions was provided. The dataset was generated from a radiation hydrodynamics code, and itmore » contained 120 simulations of 16 variables. Relevant knowledge about the physics of NIF capsule implosions and greedy search algorithms were used to search for hypothetical structures for a BN. Our preliminary results found 6 links between variables in the dataset. However, we thought there should have been more links between the dataset variables based on the physics of NIF capsule implosions. Important reasons for the paucity of links are the relatively small size of the dataset, and the sampling of the values for dataset variables. Another factor that might have caused the paucity of links is the fact that in the dataset, 20% of the simulations represented successful fusion, and 80% didn't, (simulations of unsuccessful fusion are useful for measuring certain diagnostics) which skewed the distributions of several variables, and possibly reduced the number of links. Nevertheless, by illustrating the interdependencies and conditional probabilities of several parameters and diagnostics, an accurate and complete BN built from an appropriate simulation set would provide uncertainty quantification for NIF capsule implosions.« less

An Enriched Unified Medical Language System Semantic Network with a Multiple Subsumption Hierarchy

PubMed Central

Zhang, Li; Perl, Yehoshua; Halper, Michael; Geller, James; Cimino, James J.

2004-01-01

Objective: The Unified Medical Language System's (UMLS's) Semantic Network's (SN's) two-tree structure is restrictive because it does not allow a semantic type to be a specialization of several other semantic types. In this article, the SN is expanded into a multiple subsumption structure with a directed acyclic graph (DAG) IS-A hierarchy, allowing a semantic type to have multiple parents. New viable IS-A links are added as warranted. Design: Two methodologies are presented to identify and add new viable IS-A links. The first methodology is based on imposing the characteristic of connectivity on a previously presented partition of the SN. Four transformations are provided to find viable IS-A links in the process of converting the partition's disconnected groups into connected ones. The second methodology identifies new IS-A links through a string matching process involving names and definitions of various semantic types in the SN. A domain expert is needed to review all the results to determine the validity of the new IS-A links. Results: Nineteen new IS-A links are added to the SN, and four new semantic types are also created to support the multiple subsumption framework. The resulting network, called the Enriched Semantic Network (ESN), exhibits a DAG-structured hierarchy. A partition of the ESN containing 19 connected groups is also derived. Conclusion: The ESN is an expanded abstraction of the UMLS compared with the original SN. Its multiple subsumption hierarchy can accommodate semantic types with multiple parents. Its representation thus provides direct access to a broader range of subsumption knowledge. PMID:14764611

Influence of dominance status on adrenal activity and ovarian cyclicity status in captive African elephants.

PubMed

Proctor, Christine M; Freeman, Elizabeth W; Brown, Janine L

2010-01-01

The North American African (Loxodonta africana) elephant population is not self-sustaining, in part because of a high rate of abnormal ovarian activity. About 12% of adult females exhibit irregular cycles and 31% do not cycle at all. Our earlier work revealed a relationship between dominance status and ovarian acyclicity, with dominant females being more likely to not cycle normally. One theory is that dominant females may be expending more energy to maintaining peace within the captive herd than for supporting reproduction. The goal of this study was to determine if there was a relationship among dominance status, serum cortisol concentrations, and ovarian acyclicity. We hypothesized that adrenal glucocorticoid activity would be increased in dominant, noncycling elephants as compared with subdominant individuals. Blood samples were collected weekly over a 2-year period in 81 females of known dominance and cyclicity status, and analyzed for cortisol. Based on a path analysis model (Reticular Action Model Or Near Approximation [RAMONA]), noncycling, dominant African elephant females did not have higher mean serum cortisol concentrations, or exhibit more variability (i.e., coefficient of variation, standard deviation) in cortisol secretion. This study suggests that alterations in adrenal activity are not related to dominance status nor contribute directly to acyclicity in captive African elephants.

Exogean: a framework for annotating protein-coding genes in eukaryotic genomic DNA

PubMed Central

Djebali, Sarah; Delaplace, Franck; Crollius, Hugues Roest

2006-01-01

Background Accurate and automatic gene identification in eukaryotic genomic DNA is more than ever of crucial importance to efficiently exploit the large volume of assembled genome sequences available to the community. Automatic methods have always been considered less reliable than human expertise. This is illustrated in the EGASP project, where reference annotations against which all automatic methods are measured are generated by human annotators and experimentally verified. We hypothesized that replicating the accuracy of human annotators in an automatic method could be achieved by formalizing the rules and decisions that they use, in a mathematical formalism. Results We have developed Exogean, a flexible framework based on directed acyclic colored multigraphs (DACMs) that can represent biological objects (for example, mRNA, ESTs, protein alignments, exons) and relationships between them. Graphs are analyzed to process the information according to rules that replicate those used by human annotators. Simple individual starting objects given as input to Exogean are thus combined and synthesized into complex objects such as protein coding transcripts. Conclusion We show here, in the context of the EGASP project, that Exogean is currently the method that best reproduces protein coding gene annotations from human experts, in terms of identifying at least one exact coding sequence per gene. We discuss current limitations of the method and several avenues for improvement. PMID:16925841

Comparative analyses of studies of childhood leukemia and magnetic fields, radon and gamma radiation.

PubMed

Kheifets, Leeka; Swanson, John; Yuan, Yingzhe; Kusters, Cynthia; Vergara, Ximena

2017-06-26

In this paper we compare the findings of epidemiologic studies of childhood leukemia that examined at least two of ELF magnetic fields and/or distance to power lines, and exposure to radon and gamma radiation or distance to nuclear plants. Many of the methodologic aspects are common to studies of non-ionising (i.e. ELF-MF) and ionising radiation. A systematic search and review of studies with more than one exposure under study identified 33 key and 35 supplementary papers from ten countries that have been included in this review. Examining studies that have looked at several radiation exposures, and comparing similarities and differences for the different types of radiation, through the use of directed acyclic graphs, we evaluate to what extent bias, confounding and other methodological issues might be operating in these studies. We found some indication of bias, although results are not clear cut. There is little evidence that confounding has had a substantial influence on results. Influence of the residential mobility on the study conduct and interpretation is complex and can manifest as a selection bias, confounding, increased measurement error or could also be a potential risk factor. Other factors associated with distance to power lines and to nuclear power plants should be investigated. A more complete and consistent reporting of results in the future studies will allow for a more informative comparison across studies and integration of results.

Semi-automated ontology generation within OBO-Edit.

PubMed

Wächter, Thomas; Schroeder, Michael

2010-06-15

Ontologies and taxonomies have proven highly beneficial for biocuration. The Open Biomedical Ontology (OBO) Foundry alone lists over 90 ontologies mainly built with OBO-Edit. Creating and maintaining such ontologies is a labour-intensive, difficult, manual process. Automating parts of it is of great importance for the further development of ontologies and for biocuration. We have developed the Dresden Ontology Generator for Directed Acyclic Graphs (DOG4DAG), a system which supports the creation and extension of OBO ontologies by semi-automatically generating terms, definitions and parent-child relations from text in PubMed, the web and PDF repositories. DOG4DAG is seamlessly integrated into OBO-Edit. It generates terms by identifying statistically significant noun phrases in text. For definitions and parent-child relations it employs pattern-based web searches. We systematically evaluate each generation step using manually validated benchmarks. The term generation leads to high-quality terms also found in manually created ontologies. Up to 78% of definitions are valid and up to 54% of child-ancestor relations can be retrieved. There is no other validated system that achieves comparable results. By combining the prediction of high-quality terms, definitions and parent-child relations with the ontology editor OBO-Edit we contribute a thoroughly validated tool for all OBO ontology engineers. DOG4DAG is available within OBO-Edit 2.1 at http://www.oboedit.org. Supplementary data are available at Bioinformatics online.

Non-Evolutionary Algorithms for Scheduling Dependent Tasks in Distributed Heterogeneous Computing Environments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wayne F. Boyer; Gurdeep S. Hura

2005-09-01

The Problem of obtaining an optimal matching and scheduling of interdependent tasks in distributed heterogeneous computing (DHC) environments is well known to be an NP-hard problem. In a DHC system, task execution time is dependent on the machine to which it is assigned and task precedence constraints are represented by a directed acyclic graph. Recent research in evolutionary techniques has shown that genetic algorithms usually obtain more efficient schedules that other known algorithms. We propose a non-evolutionary random scheduling (RS) algorithm for efficient matching and scheduling of inter-dependent tasks in a DHC system. RS is a succession of randomized taskmore » orderings and a heuristic mapping from task order to schedule. Randomized task ordering is effectively a topological sort where the outcome may be any possible task order for which the task precedent constraints are maintained. A detailed comparison to existing evolutionary techniques (GA and PSGA) shows the proposed algorithm is less complex than evolutionary techniques, computes schedules in less time, requires less memory and fewer tuning parameters. Simulation results show that the average schedules produced by RS are approximately as efficient as PSGA schedules for all cases studied and clearly more efficient than PSGA for certain cases. The standard formulation for the scheduling problem addressed in this paper is Rm|prec|Cmax.,« less

Environmental Chemicals in Urine and Blood: Improving Methods for Creatinine and Lipid Adjustment.

PubMed

O'Brien, Katie M; Upson, Kristen; Cook, Nancy R; Weinberg, Clarice R

2016-02-01

Investigators measuring exposure biomarkers in urine typically adjust for creatinine to account for dilution-dependent sample variation in urine concentrations. Similarly, it is standard to adjust for serum lipids when measuring lipophilic chemicals in serum. However, there is controversy regarding the best approach, and existing methods may not effectively correct for measurement error. We compared adjustment methods, including novel approaches, using simulated case-control data. Using a directed acyclic graph framework, we defined six causal scenarios for epidemiologic studies of environmental chemicals measured in urine or serum. The scenarios include variables known to influence creatinine (e.g., age and hydration) or serum lipid levels (e.g., body mass index and recent fat intake). Over a range of true effect sizes, we analyzed each scenario using seven adjustment approaches and estimated the corresponding bias and confidence interval coverage across 1,000 simulated studies. For urinary biomarker measurements, our novel method, which incorporates both covariate-adjusted standardization and the inclusion of creatinine as a covariate in the regression model, had low bias and possessed 95% confidence interval coverage of nearly 95% for most simulated scenarios. For serum biomarker measurements, a similar approach involving standardization plus serum lipid level adjustment generally performed well. To control measurement error bias caused by variations in serum lipids or by urinary diluteness, we recommend improved methods for standardizing exposure concentrations across individuals.

Approved Antiviral Drugs over the Past 50 Years

PubMed Central

2016-01-01

SUMMARY Since the first antiviral drug, idoxuridine, was approved in 1963, 90 antiviral drugs categorized into 13 functional groups have been formally approved for the treatment of the following 9 human infectious diseases: (i) HIV infections (protease inhibitors, integrase inhibitors, entry inhibitors, nucleoside reverse transcriptase inhibitors, nonnucleoside reverse transcriptase inhibitors, and acyclic nucleoside phosphonate analogues), (ii) hepatitis B virus (HBV) infections (lamivudine, interferons, nucleoside analogues, and acyclic nucleoside phosphonate analogues), (iii) hepatitis C virus (HCV) infections (ribavirin, interferons, NS3/4A protease inhibitors, NS5A inhibitors, and NS5B polymerase inhibitors), (iv) herpesvirus infections (5-substituted 2′-deoxyuridine analogues, entry inhibitors, nucleoside analogues, pyrophosphate analogues, and acyclic guanosine analogues), (v) influenza virus infections (ribavirin, matrix 2 protein inhibitors, RNA polymerase inhibitors, and neuraminidase inhibitors), (vi) human cytomegalovirus infections (acyclic guanosine analogues, acyclic nucleoside phosphonate analogues, pyrophosphate analogues, and oligonucleotides), (vii) varicella-zoster virus infections (acyclic guanosine analogues, nucleoside analogues, 5-substituted 2′-deoxyuridine analogues, and antibodies), (viii) respiratory syncytial virus infections (ribavirin and antibodies), and (ix) external anogenital warts caused by human papillomavirus infections (imiquimod, sinecatechins, and podofilox). Here, we present for the first time a comprehensive overview of antiviral drugs approved over the past 50 years, shedding light on the development of effective antiviral treatments against current and emerging infectious diseases worldwide. PMID:27281742

An In Situ Directing Group Strategy for Chiral Anion Phase-Transfer Fluorination of Allylic Alcohols

PubMed Central

2015-01-01

An enantioselective fluorination of allylic alcohols under chiral anion phase-transfer conditions is reported. The in situ generation of a directing group proved crucial for achieving effective enantiocontrol. In the presence of such a directing group, a range of acyclic substrates underwent fluorination to afford highly enantioenriched α-fluoro homoallylic alcohols. Mechanistic studies suggest that this transformation proceeds through a concerted enantiodetermining transition state involving both C–F bond formation and C–H bond cleavage. PMID:25203796

Determining the Basis of Homodesmotic Reactions of Cyclic Organic Compounds by Means of Graph Theory

NASA Astrophysics Data System (ADS)

Khursan, S. L.; Ismagilova, A. S.; Akhmetyanova, A. I.

2018-07-01

Comparative calculations based on the use of a homodesmotic reaction (HDR)—an isodesmic process with the additional requirement for group balance—is used to analyze the thermochemical characteristics of cyclic organic compounds exemplified by bicyclo[2.1.0]pentene-2. To avoid confusion in selecting HDRs, an algorithm is developed for determining the HDR basis, i.e., the set of all possible independent homodesmotic reactions. The algorithm for constructing the set of HDRs is based on an analysis and transformations of the bond graph of groups for the investigated chemical compound. The use of graph theory allows us to automate the procedure for deriving the basis of homodesmotic reactions, and to obtain a visual geometric interpretation of the basis, which is important for subsequent physicochemical analysis. The energetics of bicyclo[2.1.0]pentene-2 is investigated using the proposed approach, and the independent basis of HDRs is found to include 19 formal transformations. Standard enthalpies for the test compound and the participants of homodesmotic reactions are calculated using the G3 composite approach. Thermochemical analysis of the obtained data allows us to determine the standard enthalpy of formation of the bicycle (Δf H° = 336.4 kJ/mol) and value Δf H° of a number of cyclic and acyclic alkenes and alkadienes that are products of theoretical decomposition of the test compound. The proposed method is shown to be extremely effective in analyzing the effects of nonbonded interactions in the structure of organic molecules. The ring strain energy of the bicycle is calculated or the test compound: E S = 295.2± 2.2 kJ/mol.

Four new topological indices based on the molecular path code.

PubMed

Balaban, Alexandru T; Beteringhe, Adrian; Constantinescu, Titus; Filip, Petru A; Ivanciuc, Ovidiu

2007-01-01

The sequence of all paths pi of lengths i = 1 to the maximum possible length in a hydrogen-depleted molecular graph (which sequence is also called the molecular path code) contains significant information on the molecular topology, and as such it is a reasonable choice to be selected as the basis of topological indices (TIs). Four new (or five partly new) TIs with progressively improved performance (judged by correctly reflecting branching, centricity, and cyclicity of graphs, ordering of alkanes, and low degeneracy) have been explored. (i) By summing the squares of all numbers in the sequence one obtains Sigmaipi(2), and by dividing this sum by one plus the cyclomatic number, a Quadratic TI is obtained: Q = Sigmaipi(2)/(mu+1). (ii) On summing the Square roots of all numbers in the sequence one obtains Sigmaipi(1/2), and by dividing this sum by one plus the cyclomatic number, the TI denoted by S is obtained: S = Sigmaipi(1/2)/(mu+1). (iii) On dividing terms in this sum by the corresponding topological distances, one obtains the Distance-reduced index D = Sigmai{pi(1/2)/[i(mu+1)]}. Two similar formulas define the next two indices, the first one with no square roots: (iv) distance-Attenuated index: A = Sigmai{pi/[i(mu + 1)]}; and (v) the last TI with two square roots: Path-count index: P = Sigmai{pi(1/2)/[i(1/2)(mu + 1)]}. These five TIs are compared for their degeneracy, ordering of alkanes, and performance in QSPR (for all alkanes with 3-12 carbon atoms and for all possible chemical cyclic or acyclic graphs with 4-6 carbon atoms) in correlations with six physical properties and one chemical property.

Decision net, directed graph, and neural net processing of imaging spectrometer data

NASA Technical Reports Server (NTRS)

Casasent, David; Liu, Shiaw-Dong; Yoneyama, Hideyuki; Barnard, Etienne

1989-01-01

A decision-net solution involving a novel hierarchical classifier and a set of multiple directed graphs, as well as a neural-net solution, are respectively presented for large-class problem and mixture problem treatments of imaging spectrometer data. The clustering method for hierarchical classifier design, when used with multiple directed graphs, yields an efficient decision net. New directed-graph rules for reducing local maxima as well as the number of perturbations required, and the new starting-node rules for extending the reachability and reducing the search time of the graphs, are noted to yield superior results, as indicated by an illustrative 500-class imaging spectrometer problem.

Structural Elements in a Persistent Identifier Infrastructure and Resulting Benefits for the Earth Science Community

NASA Astrophysics Data System (ADS)

Weigel, T.; Toussaiant, F.; Stockhause, M.; Höck, H.; Kindermann, S.; Lautenschlager, M.; Ludwig, T.

2012-12-01

We propose a wide adoption of structural elements (typed links, collections, trees) in the Handle System to improve identification and access of scientific data, metadata and software as well as traceability of data provenance. Typed links target the issue of data provenance as a means to assess the quality of scientific data. Data provenance is seen here as a directed acyclic graph with nodes representing data and vertices representing derivative operations (Moreau 2010). Landing pages can allow a human user to explore the provenance graph back to the primary unprocessed data, thereby also giving credit to the original data producer. As in Earth System Modeling no single infrastructure with complete data lifecycle coverage exists, we propose to split the problem domain in two parts. Project-specific infrastructures such as the German project C3-Grid or the Earth System Grid Federation (ESGF) for CMIP5 data are aware of data and data operations (Toussaint et al. 2012) and can thus detect and accumulate single nodes and vertices in the provenance graph, assigning Handles to data, metadata and software. With a common schema for typed links, the provenance graph is established as downstream infrastructures refer incoming Handles. Data in this context is for example hierarchically structured Earth System model output data, which receives DataCite DOIs only for the most coarse-granular elements. Using Handle tree structures, the lower levels of the hierarchy can also receive Handles, allowing authors to more precisely identify the data they used (Lawrence et al. 2011). We can e.g. define a DOI for just the 2m-temperature variable of CMIP5 data across many CMIP5 experiments or a DOI for model and observational data coming from different sources. The structural elements should be implemented through Handle values at the Handle infrastructure level for two reasons. Handle values are more durable than downstream websites or databases, and thus the provenance chain does not break if individual links become unavailable. Secondly, a single service cannot interpret links if downstream solutions differ in their implementation schemas. Emerging efforts driven by the European Persistent Identifier Consortium (EPIC) aim to establish a default mechanism for structural elements at the Handle level. We motivate to make applications, which take part in the data lifecycle, aware of data derivation provenance and let them provide additional elements to the provenance graph. Since they are also Handles, DataCite DOIs can act as a corner stone and provide an entry point to discover the provenance graph. References B. Lawrence, C. Jones, B. Matthews, S. Pepler, and S. Callaghan, "Citation and peer review of data: Moving towards formal data publication," Int. J. of Digital Curation, vol. 6, no. 2, 2011. L. Moreau, "The foundations for provenance on the web," Foundations and Trends® in Web Science, vol. 2, no. 2-3, pp. 99-241, 2010. F. Toussaint, T. Weigel, H. Thiemann, H. Höck, M. Stockhause: "Application Examples for Handle System Usage", submitted to AGU 2012 session IN009.

Continuous-Time Classical and Quantum Random Walk on Direct Product of Cayley Graphs

NASA Astrophysics Data System (ADS)

Salimi, S.; Jafarizadeh, M. A.

2009-06-01

In this paper we define direct product of graphs and give a recipe for obtaining probability of observing particle on vertices in the continuous-time classical and quantum random walk. In the recipe, the probability of observing particle on direct product of graph is obtained by multiplication of probability on the corresponding to sub-graphs, where this method is useful to determining probability of walk on complicated graphs. Using this method, we calculate the probability of continuous-time classical and quantum random walks on many of finite direct product Cayley graphs (complete cycle, complete Kn, charter and n-cube). Also, we inquire that the classical state the stationary uniform distribution is reached as t → ∞ but for quantum state is not always satisfied.

Scenario driven data modelling: a method for integrating diverse sources of data and data streams

DOEpatents

Brettin, Thomas S.; Cottingham, Robert W.; Griffith, Shelton D.; Quest, Daniel J.

2015-09-08

A system and method of integrating diverse sources of data and data streams is presented. The method can include selecting a scenario based on a topic, creating a multi-relational directed graph based on the scenario, identifying and converting resources in accordance with the scenario and updating the multi-directed graph based on the resources, identifying data feeds in accordance with the scenario and updating the multi-directed graph based on the data feeds, identifying analytical routines in accordance with the scenario and updating the multi-directed graph using the analytical routines and identifying data outputs in accordance with the scenario and defining queries to produce the data outputs from the multi-directed graph.

SPARQLog: SPARQL with Rules and Quantification

NASA Astrophysics Data System (ADS)

Bry, François; Furche, Tim; Marnette, Bruno; Ley, Clemens; Linse, Benedikt; Poppe, Olga

SPARQL has become the gold-standard for RDF query languages. Nevertheless, we believe there is further room for improving RDF query languages. In this chapter, we investigate the addition of rules and quantifier alternation to SPARQL. That extension, called SPARQLog, extends previous RDF query languages by arbitrary quantifier alternation: blank nodes may occur in the scope of all, some, or none of the universal variables of a rule. In addition, SPARQLog is aware of important RDF features such as the distinction between blank nodes, literals and IRIs or the RDFS vocabulary. The semantics of SPARQLog is closed (every answer is an RDF graph), but lifts RDF's restrictions on literal and blank node occurrences for intermediary data. We show how to define a sound and complete operational semantics that can be implemented using existing logic programming techniques. While SPARQLog is Turing complete, we identify a decidable (in fact, polynomial time) fragment SwARQLog ensuring polynomial data-complexity inspired from the notion of super-weak acyclicity in data exchange. Furthermore, we prove that SPARQLog with no universal quantifiers in the scope of existential ones (∀ ∃ fragment) is equivalent to full SPARQLog in presence of graph projection. Thus, the convenience of arbitrary quantifier alternation comes, in fact, for free. These results, though here presented in the context of RDF querying, apply similarly also in the more general setting of data exchange.

Mouse Visual Neocortex Supports Multiple Stereotyped Patterns of Microcircuit Activity

PubMed Central

Sadovsky, Alexander J.

2014-01-01

Spiking correlations between neocortical neurons provide insight into the underlying synaptic connectivity that defines cortical microcircuitry. Here, using two-photon calcium fluorescence imaging, we observed the simultaneous dynamics of hundreds of neurons in slices of mouse primary visual cortex (V1). Consistent with a balance of excitation and inhibition, V1 dynamics were characterized by a linear scaling between firing rate and circuit size. Using lagged firing correlations between neurons, we generated functional wiring diagrams to evaluate the topological features of V1 microcircuitry. We found that circuit connectivity exhibited both cyclic graph motifs, indicating recurrent wiring, and acyclic graph motifs, indicating feedforward wiring. After overlaying the functional wiring diagrams onto the imaged field of view, we found properties consistent with Rentian scaling: wiring diagrams were topologically efficient because they minimized wiring with a modular architecture. Within single imaged fields of view, V1 contained multiple discrete circuits that were overlapping and highly interdigitated but were still distinct from one another. The majority of neurons that were shared between circuits displayed peri-event spiking activity whose timing was specific to the active circuit, whereas spike times for a smaller percentage of neurons were invariant to circuit identity. These data provide evidence that V1 microcircuitry exhibits balanced dynamics, is efficiently arranged in anatomical space, and is capable of supporting a diversity of multineuron spike firing patterns from overlapping sets of neurons. PMID:24899701

Large-scale DCMs for resting-state fMRI.

PubMed

Razi, Adeel; Seghier, Mohamed L; Zhou, Yuan; McColgan, Peter; Zeidman, Peter; Park, Hae-Jeong; Sporns, Olaf; Rees, Geraint; Friston, Karl J

2017-01-01

This paper considers the identification of large directed graphs for resting-state brain networks based on biophysical models of distributed neuronal activity, that is, effective connectivity . This identification can be contrasted with functional connectivity methods based on symmetric correlations that are ubiquitous in resting-state functional MRI (fMRI). We use spectral dynamic causal modeling (DCM) to invert large graphs comprising dozens of nodes or regions. The ensuing graphs are directed and weighted, hence providing a neurobiologically plausible characterization of connectivity in terms of excitatory and inhibitory coupling. Furthermore, we show that the use of to discover the most likely sparse graph (or model) from a parent (e.g., fully connected) graph eschews the arbitrary thresholding often applied to large symmetric (functional connectivity) graphs. Using empirical fMRI data, we show that spectral DCM furnishes connectivity estimates on large graphs that correlate strongly with the estimates provided by stochastic DCM. Furthermore, we increase the efficiency of model inversion using functional connectivity modes to place prior constraints on effective connectivity. In other words, we use a small number of modes to finesse the potentially redundant parameterization of large DCMs. We show that spectral DCM-with functional connectivity priors-is ideally suited for directed graph theoretic analyses of resting-state fMRI. We envision that directed graphs will prove useful in understanding the psychopathology and pathophysiology of neurodegenerative and neurodevelopmental disorders. We will demonstrate the utility of large directed graphs in clinical populations in subsequent reports, using the procedures described in this paper.

Co-clustering directed graphs to discover asymmetries and directional communities

PubMed Central

Rohe, Karl; Qin, Tai; Yu, Bin

2016-01-01

In directed graphs, relationships are asymmetric and these asymmetries contain essential structural information about the graph. Directed relationships lead to a new type of clustering that is not feasible in undirected graphs. We propose a spectral co-clustering algorithm called di-sim for asymmetry discovery and directional clustering. A Stochastic co-Blockmodel is introduced to show favorable properties of di-sim. To account for the sparse and highly heterogeneous nature of directed networks, di-sim uses the regularized graph Laplacian and projects the rows of the eigenvector matrix onto the sphere. A nodewise asymmetry score and di-sim are used to analyze the clustering asymmetries in the networks of Enron emails, political blogs, and the Caenorhabditis elegans chemical connectome. In each example, a subset of nodes have clustering asymmetries; these nodes send edges to one cluster, but receive edges from another cluster. Such nodes yield insightful information (e.g., communication bottlenecks) about directed networks, but are missed if the analysis ignores edge direction. PMID:27791058

Co-clustering directed graphs to discover asymmetries and directional communities.

PubMed

Rohe, Karl; Qin, Tai; Yu, Bin

2016-10-21

In directed graphs, relationships are asymmetric and these asymmetries contain essential structural information about the graph. Directed relationships lead to a new type of clustering that is not feasible in undirected graphs. We propose a spectral co-clustering algorithm called di-sim for asymmetry discovery and directional clustering. A Stochastic co-Blockmodel is introduced to show favorable properties of di-sim To account for the sparse and highly heterogeneous nature of directed networks, di-sim uses the regularized graph Laplacian and projects the rows of the eigenvector matrix onto the sphere. A nodewise asymmetry score and di-sim are used to analyze the clustering asymmetries in the networks of Enron emails, political blogs, and the Caenorhabditis elegans chemical connectome. In each example, a subset of nodes have clustering asymmetries; these nodes send edges to one cluster, but receive edges from another cluster. Such nodes yield insightful information (e.g., communication bottlenecks) about directed networks, but are missed if the analysis ignores edge direction.

The combination of direct and paired link graphs can boost repetitive genome assembly

PubMed Central

Shi, Wenyu; Ji, Peifeng

2017-01-01

Abstract Currently, most paired link based scaffolding algorithms intrinsically mask the sequences between two linked contigs and bypass their direct link information embedded in the original de Bruijn assembly graph. Such disadvantage substantially complicates the scaffolding process and leads to the inability of resolving repetitive contig assembly. Here we present a novel algorithm, inGAP-sf, for effectively generating high-quality and continuous scaffolds. inGAP-sf achieves this by using a new strategy based on the combination of direct link and paired link graphs, in which direct link is used to increase graph connectivity and to decrease graph complexity and paired link is employed to supervise the traversing process on the direct link graph. Such advantage greatly facilitates the assembly of short-repeat enriched regions. Moreover, a new comprehensive decision model is developed to eliminate the noise routes accompanying with the introduced direct link. Through extensive evaluations on both simulated and real datasets, we demonstrated that inGAP-sf outperforms most of the genome scaffolding algorithms by generating more accurate and continuous assembly, especially for short repetitive regions. PMID:27924003

Reachability in K 3,3-Free Graphs and K 5-Free Graphs Is in Unambiguous Log-Space

NASA Astrophysics Data System (ADS)

Thierauf, Thomas; Wagner, Fabian

We show that the reachability problem for directed graphs that are either K 3,3-free or K 5-free is in unambiguous log-space, UL ∩ coUL. This significantly extends the result of Bourke, Tewari, and Vinodchandran that the reachability problem for directed planar graphs is in UL ∩ coUL.

JavaGenes: Evolving Graphs with Crossover

NASA Technical Reports Server (NTRS)

Globus, Al; Atsatt, Sean; Lawton, John; Wipke, Todd

2000-01-01

Genetic algorithms usually use string or tree representations. We have developed a novel crossover operator for a directed and undirected graph representation, and used this operator to evolve molecules and circuits. Unlike strings or trees, a single point in the representation cannot divide every possible graph into two parts, because graphs may contain cycles. Thus, the crossover operator is non-trivial. A steady-state, tournament selection genetic algorithm code (JavaGenes) was written to implement and test the graph crossover operator. All runs were executed by cycle-scavagging on networked workstations using the Condor batch processing system. The JavaGenes code has evolved pharmaceutical drug molecules and simple digital circuits. Results to date suggest that JavaGenes can evolve moderate sized drug molecules and very small circuits in reasonable time. The algorithm has greater difficulty with somewhat larger circuits, suggesting that directed graphs (circuits) are more difficult to evolve than undirected graphs (molecules), although necessary differences in the crossover operator may also explain the results. In principle, JavaGenes should be able to evolve other graph-representable systems, such as transportation networks, metabolic pathways, and computer networks. However, large graphs evolve significantly slower than smaller graphs, presumably because the space-of-all-graphs explodes combinatorially with graph size. Since the representation strongly affects genetic algorithm performance, adding graphs to the evolutionary programmer's bag-of-tricks should be beneficial. Also, since graph evolution operates directly on the phenotype, the genotype-phenotype translation step, common in genetic algorithm work, is eliminated.

Social factors influence ovarian acyclicity in captive African elephants (Loxodonta africana).

PubMed

Freeman, Elizabeth W; Guagnano, Greg; Olson, Deborah; Keele, Mike; Brown, Janine L

2009-01-01

Nearly one-third of reproductive age African elephants in North America that are hormonally monitored fail to exhibit estrous cycle activity, which exacerbates the nonsustainability of the captive population. Three surveys were distributed to facilities housing female African elephants to determine how social and environmental variables contribute to cyclicity problems. Forty-six facilities returned all three surveys providing information on 90% of the SSP population and 106 elephants (64 cycling, 27 noncycling and 15 undetermined). Logistic analyses found that some physiological and social history variables were related to ovarian acyclicity. Females more likely to be acyclic had a larger body mass index and had resided longer at a facility with the same herdmates. Results suggest that controlling the weight of an elephant might be a first step to helping mitigate estrous cycle problems. Data further show that transferring females among facilities has no major impact on ovarian activity. Last, social status appears to impact cyclicity status; at 19 of 21 facilities that housed both cycling and noncycling elephants, the dominant female was acyclic. Further studies on how social and environmental dynamics affect hormone levels in free-living, cycling elephants are needed to determine whether acyclicity is strictly a captivity-related phenomenon.

Cardioleader use in acyclic types of sports

NASA Technical Reports Server (NTRS)

Bondin, V. I.

1980-01-01

The use of the cardioleader method in regulating training loads and tests for athletes in acyclic sports was investigated. It was found that the use of this method increases the effectiveness of the training process.

Inferring gene ontologies from pairwise similarity data

PubMed Central

Kramer, Michael; Dutkowski, Janusz; Yu, Michael; Bafna, Vineet; Ideker, Trey

2014-01-01

Motivation: While the manually curated Gene Ontology (GO) is widely used, inferring a GO directly from -omics data is a compelling new problem. Recognizing that ontologies are a directed acyclic graph (DAG) of terms and hierarchical relations, algorithms are needed that: analyze a full matrix of gene–gene pairwise similarities from -omics data;infer true hierarchical structure in these data rather than enforcing hierarchy as a computational artifact; andrespect biological pleiotropy, by which a term in the hierarchy can relate to multiple higher level terms. Methods addressing these requirements are just beginning to emerge—none has been evaluated for GO inference. Methods: We consider two algorithms [Clique Extracted Ontology (CliXO), LocalFitness] that uniquely satisfy these requirements, compared with methods including standard clustering. CliXO is a new approach that finds maximal cliques in a network induced by progressive thresholding of a similarity matrix. We evaluate each method’s ability to reconstruct the GO biological process ontology from a similarity matrix based on (a) semantic similarities for GO itself or (b) three -omics datasets for yeast. Results: For task (a) using semantic similarity, CliXO accurately reconstructs GO (>99% precision, recall) and outperforms other approaches (<20% precision, <20% recall). For task (b) using -omics data, CliXO outperforms other methods using two -omics datasets and achieves ∼30% precision and recall using YeastNet v3, similar to an earlier approach (Network Extracted Ontology) and better than LocalFitness or standard clustering (20–25% precision, recall). Conclusion: This study provides algorithmic foundation for building gene ontologies by capturing hierarchical and pleiotropic structure embedded in biomolecular data. Contact: tideker@ucsd.edu PMID:24932003

Accounting for selection bias in association studies with complex survey data.

PubMed

Wirth, Kathleen E; Tchetgen Tchetgen, Eric J

2014-05-01

Obtaining representative information from hidden and hard-to-reach populations is fundamental to describe the epidemiology of many sexually transmitted diseases, including HIV. Unfortunately, simple random sampling is impractical in these settings, as no registry of names exists from which to sample the population at random. However, complex sampling designs can be used, as members of these populations tend to congregate at known locations, which can be enumerated and sampled at random. For example, female sex workers may be found at brothels and street corners, whereas injection drug users often come together at shooting galleries. Despite the logistical appeal, complex sampling schemes lead to unequal probabilities of selection, and failure to account for this differential selection can result in biased estimates of population averages and relative risks. However, standard techniques to account for selection can lead to substantial losses in efficiency. Consequently, researchers implement a variety of strategies in an effort to balance validity and efficiency. Some researchers fully or partially account for the survey design, whereas others do nothing and treat the sample as a realization of the population of interest. We use directed acyclic graphs to show how certain survey sampling designs, combined with subject-matter considerations unique to individual exposure-outcome associations, can induce selection bias. Finally, we present a novel yet simple maximum likelihood approach for analyzing complex survey data; this approach optimizes statistical efficiency at no cost to validity. We use simulated data to illustrate this method and compare it with other analytic techniques.

Theoretical Basis of the Test-Negative Study Design for Assessment of Influenza Vaccine Effectiveness.

PubMed

Sullivan, Sheena G; Tchetgen Tchetgen, Eric J; Cowling, Benjamin J

2016-09-01

Influenza viruses undergo frequent antigenic changes. As a result, the viruses circulating change within and between seasons, and the composition of the influenza vaccine is updated annually. Thus, estimation of the vaccine's effectiveness is not constant across seasons. In order to provide annual estimates of the influenza vaccine's effectiveness, health departments have increasingly adopted the "test-negative design," using enhanced data from routine surveillance systems. In this design, patients presenting to participating general practitioners with influenza-like illness are swabbed for laboratory testing; those testing positive for influenza virus are defined as cases, and those testing negative form the comparison group. Data on patients' vaccination histories and confounder profiles are also collected. Vaccine effectiveness is estimated from the odds ratio comparing the odds of testing positive for influenza among vaccinated patients and unvaccinated patients, adjusting for confounders. The test-negative design is purported to reduce bias associated with confounding by health-care-seeking behavior and misclassification of cases. In this paper, we use directed acyclic graphs to characterize potential biases in studies of influenza vaccine effectiveness using the test-negative design. We show how studies using this design can avoid or minimize bias and where bias may be introduced with particular study design variations. © The Author 2016. Published by Oxford University Press on behalf of the Johns Hopkins Bloomberg School of Public Health. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

A causal framework for understanding the effect of losses to follow-up on epidemiologic analyses in clinic-based cohorts: the case of HIV-infected patients on antiretroviral therapy in Africa.

PubMed

Geng, Elvin H; Glidden, David V; Bangsberg, David R; Bwana, Mwebesa Bosco; Musinguzi, Nicholas; Nash, Denis; Metcalfe, John Z; Yiannoutsos, Constantin T; Martin, Jeffrey N; Petersen, Maya L

2012-05-15

Although clinic-based cohorts are most representative of the "real world," they are susceptible to loss to follow-up. Strategies for managing the impact of loss to follow-up are therefore needed to maximize the value of studies conducted in these cohorts. The authors evaluated adult patients starting antiretroviral therapy at an HIV/AIDS clinic in Uganda, where 29% of patients were lost to follow-up after 2 years (January 1, 2004-September 30, 2007). Unweighted, inverse probability of censoring weighted (IPCW), and sampling-based approaches (using supplemental data from a sample of lost patients subsequently tracked in the community) were used to identify the predictive value of sex on mortality. Directed acyclic graphs (DAGs) were used to explore the structural basis for bias in each approach. Among 3,628 patients, unweighted and IPCW analyses found men to have higher mortality than women, whereas the sampling-based approach did not. DAGs encoding knowledge about the data-generating process, including the fact that death is a cause of being classified as lost to follow-up in this setting, revealed "collider" bias in the unweighted and IPCW approaches. In a clinic-based cohort in Africa, unweighted and IPCW approaches-which rely on the "missing at random" assumption-yielded biased estimates. A sampling-based approach can in general strengthen epidemiologic analyses conducted in many clinic-based cohorts, including those examining other diseases.

Collinearity and Causal Diagrams: A Lesson on the Importance of Model Specification.

PubMed

Schisterman, Enrique F; Perkins, Neil J; Mumford, Sunni L; Ahrens, Katherine A; Mitchell, Emily M

2017-01-01

Correlated data are ubiquitous in epidemiologic research, particularly in nutritional and environmental epidemiology where mixtures of factors are often studied. Our objectives are to demonstrate how highly correlated data arise in epidemiologic research and provide guidance, using a directed acyclic graph approach, on how to proceed analytically when faced with highly correlated data. We identified three fundamental structural scenarios in which high correlation between a given variable and the exposure can arise: intermediates, confounders, and colliders. For each of these scenarios, we evaluated the consequences of increasing correlation between the given variable and the exposure on the bias and variance for the total effect of the exposure on the outcome using unadjusted and adjusted models. We derived closed-form solutions for continuous outcomes using linear regression and empirically present our findings for binary outcomes using logistic regression. For models properly specified, total effect estimates remained unbiased even when there was almost perfect correlation between the exposure and a given intermediate, confounder, or collider. In general, as the correlation increased, the variance of the parameter estimate for the exposure in the adjusted models increased, while in the unadjusted models, the variance increased to a lesser extent or decreased. Our findings highlight the importance of considering the causal framework under study when specifying regression models. Strategies that do not take into consideration the causal structure may lead to biased effect estimation for the original question of interest, even under high correlation.

A Parallel Fast Sweeping Method for the Eikonal Equation

NASA Astrophysics Data System (ADS)

Baker, B.

2017-12-01

Recently, there has been an exciting emergence of probabilistic methods for travel time tomography. Unlike gradient-based optimization strategies, probabilistic tomographic methods are resistant to becoming trapped in a local minimum and provide a much better quantification of parameter resolution than, say, appealing to ray density or performing checkerboard reconstruction tests. The benefits associated with random sampling methods however are only realized by successive computation of predicted travel times in, potentially, strongly heterogeneous media. To this end this abstract is concerned with expediting the solution of the Eikonal equation. While many Eikonal solvers use a fast marching method, the proposed solver will use the iterative fast sweeping method because the eight fixed sweep orderings in each iteration are natural targets for parallelization. To reduce the number of iterations and grid points required the high-accuracy finite difference stencil of Nobel et al., 2014 is implemented. A directed acyclic graph (DAG) is created with a priori knowledge of the sweep ordering and finite different stencil. By performing a topological sort of the DAG sets of independent nodes are identified as candidates for concurrent updating. Additionally, the proposed solver will also address scalability during earthquake relocation, a necessary step in local and regional earthquake tomography and a barrier to extending probabilistic methods from active source to passive source applications, by introducing an asynchronous parallel forward solve phase for all receivers in the network. Synthetic examples using the SEG over-thrust model will be presented.

A Probabilistic Approach for Real-Time Volcano Surveillance

NASA Astrophysics Data System (ADS)

Cannavo, F.; Cannata, A.; Cassisi, C.; Di Grazia, G.; Maronno, P.; Montalto, P.; Prestifilippo, M.; Privitera, E.; Gambino, S.; Coltelli, M.

2016-12-01

Continuous evaluation of the state of potentially dangerous volcanos plays a key role for civil protection purposes. Presently, real-time surveillance of most volcanoes worldwide is essentially delegated to one or more human experts in volcanology, who interpret data coming from different kind of monitoring networks. Unfavorably, the coupling of highly non-linear and complex volcanic dynamic processes leads to measurable effects that can show a large variety of different behaviors. Moreover, due to intrinsic uncertainties and possible failures in some recorded data, the volcano state needs to be expressed in probabilistic terms, thus making the fast volcano state assessment sometimes impracticable for the personnel on duty at the control rooms. With the aim of aiding the personnel on duty in volcano surveillance, we present a probabilistic graphical model to estimate automatically the ongoing volcano state from all the available different kind of measurements. The model consists of a Bayesian network able to represent a set of variables and their conditional dependencies via a directed acyclic graph. The model variables are both the measurements and the possible states of the volcano through the time. The model output is an estimation of the probability distribution of the feasible volcano states. We tested the model on the Mt. Etna (Italy) case study by considering a long record of multivariate data from 2011 to 2015 and cross-validated it. Results indicate that the proposed model is effective and of great power for decision making purposes.

GECKO: a complete large-scale gene expression analysis platform.

PubMed

Theilhaber, Joachim; Ulyanov, Anatoly; Malanthara, Anish; Cole, Jack; Xu, Dapeng; Nahf, Robert; Heuer, Michael; Brockel, Christoph; Bushnell, Steven

2004-12-10

Gecko (Gene Expression: Computation and Knowledge Organization) is a complete, high-capacity centralized gene expression analysis system, developed in response to the needs of a distributed user community. Based on a client-server architecture, with a centralized repository of typically many tens of thousands of Affymetrix scans, Gecko includes automatic processing pipelines for uploading data from remote sites, a data base, a computational engine implementing approximately 50 different analysis tools, and a client application. Among available analysis tools are clustering methods, principal component analysis, supervised classification including feature selection and cross-validation, multi-factorial ANOVA, statistical contrast calculations, and various post-processing tools for extracting data at given error rates or significance levels. On account of its open architecture, Gecko also allows for the integration of new algorithms. The Gecko framework is very general: non-Affymetrix and non-gene expression data can be analyzed as well. A unique feature of the Gecko architecture is the concept of the Analysis Tree (actually, a directed acyclic graph), in which all successive results in ongoing analyses are saved. This approach has proven invaluable in allowing a large (approximately 100 users) and distributed community to share results, and to repeatedly return over a span of years to older and potentially very complex analyses of gene expression data. The Gecko system is being made publicly available as free software http://sourceforge.net/projects/geckoe. In totality or in parts, the Gecko framework should prove useful to users and system developers with a broad range of analysis needs.

3D multi-view convolutional neural networks for lung nodule classification

PubMed Central

Kang, Guixia; Hou, Beibei; Zhang, Ningbo

2017-01-01

The 3D convolutional neural network (CNN) is able to make full use of the spatial 3D context information of lung nodules, and the multi-view strategy has been shown to be useful for improving the performance of 2D CNN in classifying lung nodules. In this paper, we explore the classification of lung nodules using the 3D multi-view convolutional neural networks (MV-CNN) with both chain architecture and directed acyclic graph architecture, including 3D Inception and 3D Inception-ResNet. All networks employ the multi-view-one-network strategy. We conduct a binary classification (benign and malignant) and a ternary classification (benign, primary malignant and metastatic malignant) on Computed Tomography (CT) images from Lung Image Database Consortium and Image Database Resource Initiative database (LIDC-IDRI). All results are obtained via 10-fold cross validation. As regards the MV-CNN with chain architecture, results show that the performance of 3D MV-CNN surpasses that of 2D MV-CNN by a significant margin. Finally, a 3D Inception network achieved an error rate of 4.59% for the binary classification and 7.70% for the ternary classification, both of which represent superior results for the corresponding task. We compare the multi-view-one-network strategy with the one-view-one-network strategy. The results reveal that the multi-view-one-network strategy can achieve a lower error rate than the one-view-one-network strategy. PMID:29145492

GO Explorer: A gene-ontology tool to aid in the interpretation of shotgun proteomics data.

PubMed

Carvalho, Paulo C; Fischer, Juliana Sg; Chen, Emily I; Domont, Gilberto B; Carvalho, Maria Gc; Degrave, Wim M; Yates, John R; Barbosa, Valmir C

2009-02-24

Spectral counting is a shotgun proteomics approach comprising the identification and relative quantitation of thousands of proteins in complex mixtures. However, this strategy generates bewildering amounts of data whose biological interpretation is a challenge. Here we present a new algorithm, termed GO Explorer (GOEx), that leverages the gene ontology (GO) to aid in the interpretation of proteomic data. GOEx stands out because it combines data from protein fold changes with GO over-representation statistics to help draw conclusions. Moreover, it is tightly integrated within the PatternLab for Proteomics project and, thus, lies within a complete computational environment that provides parsers and pattern recognition tools designed for spectral counting. GOEx offers three independent methods to query data: an interactive directed acyclic graph, a specialist mode where key words can be searched, and an automatic search. Its usefulness is demonstrated by applying it to help interpret the effects of perillyl alcohol, a natural chemotherapeutic agent, on glioblastoma multiform cell lines (A172). We used a new multi-surfactant shotgun proteomic strategy and identified more than 2600 proteins; GOEx pinpointed key sets of differentially expressed proteins related to cell cycle, alcohol catabolism, the Ras pathway, apoptosis, and stress response, to name a few. GOEx facilitates organism-specific studies by leveraging GO and providing a rich graphical user interface. It is a simple to use tool, specialized for biologists who wish to analyze spectral counting data from shotgun proteomics. GOEx is available at http://pcarvalho.com/patternlab.

Chang'E-3 data pre-processing system based on scientific workflow

NASA Astrophysics Data System (ADS)

tan, xu; liu, jianjun; wang, yuanyuan; yan, wei; zhang, xiaoxia; li, chunlai

2016-04-01

The Chang'E-3(CE3) mission have obtained a huge amount of lunar scientific data. Data pre-processing is an important segment of CE3 ground research and application system. With a dramatic increase in the demand of data research and application, Chang'E-3 data pre-processing system(CEDPS) based on scientific workflow is proposed for the purpose of making scientists more flexible and productive by automating data-driven. The system should allow the planning, conduct and control of the data processing procedure with the following possibilities: • describe a data processing task, include:1)define input data/output data, 2)define the data relationship, 3)define the sequence of tasks,4)define the communication between tasks,5)define mathematical formula, 6)define the relationship between task and data. • automatic processing of tasks. Accordingly, Describing a task is the key point whether the system is flexible. We design a workflow designer which is a visual environment for capturing processes as workflows, the three-level model for the workflow designer is discussed:1) The data relationship is established through product tree.2)The process model is constructed based on directed acyclic graph(DAG). Especially, a set of process workflow constructs, including Sequence, Loop, Merge, Fork are compositional one with another.3)To reduce the modeling complexity of the mathematical formulas using DAG, semantic modeling based on MathML is approached. On top of that, we will present how processed the CE3 data with CEDPS.

Topologies on directed graphs

NASA Technical Reports Server (NTRS)

Lieberman, R. N.

1972-01-01

Given a directed graph, a natural topology is defined and relationships between standard topological properties and graph theoretical concepts are studied. In particular, the properties of connectivity and separatedness are investigated. A metric is introduced which is shown to be related to separatedness. The topological notions of continuity and homeomorphism. A class of maps is studied which preserve both graph and topological properties. Applications involving strong maps and contractions are also presented.

Graph traversals, genes, and matroids: An efficient case of the travelling salesman problem

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gusfield, D.; Stelling, P.; Wang, Lusheng

1996-12-31

In this paper the authors consider graph traversal problems that arise from a particular technology for DNA sequencing - sequencing by hybridization (SBH). They first explain the connection of the graph problems to SBH and then focus on the traversal problems. They describe a practical polynomial time solution to the Travelling Salesman Problem in a rich class of directed graphs (including edge weighted binary de Bruijn graphs), and provide a bounded-error approximation algorithm for the maximum weight TSP in a superset of those directed graphs. The authors also establish the existence of a matroid structure defined on the set ofmore » Euler and Hamilton paths in the restricted class of graphs. 8 refs., 5 figs.« less

Decentralized Estimation and Control for Preserving the Strong Connectivity of Directed Graphs.

PubMed

Sabattini, Lorenzo; Secchi, Cristian; Chopra, Nikhil

2015-10-01

In order to accomplish cooperative tasks, decentralized systems are required to communicate among each other. Thus, maintaining the connectivity of the communication graph is a fundamental issue. Connectivity maintenance has been extensively studied in the last few years, but generally considering undirected communication graphs. In this paper, we introduce a decentralized control and estimation strategy to maintain the strong connectivity property of directed communication graphs. In particular, we introduce a hierarchical estimation procedure that implements power iteration in a decentralized manner, exploiting an algorithm for balancing strongly connected directed graphs. The output of the estimation system is then utilized for guaranteeing preservation of the strong connectivity property. The control strategy is validated by means of analytical proofs and simulation results.

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

PubMed

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.

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

PubMed

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.

Topological properties of the limited penetrable horizontal visibility graph family

NASA Astrophysics Data System (ADS)

Wang, Minggang; Vilela, André L. M.; Du, Ruijin; Zhao, Longfeng; Dong, Gaogao; Tian, Lixin; Stanley, H. Eugene

2018-05-01

The limited penetrable horizontal visibility graph algorithm was recently introduced to map time series in complex networks. In this work, we extend this algorithm to create a directed-limited penetrable horizontal visibility graph and an image-limited penetrable horizontal visibility graph. We define two algorithms and provide theoretical results on the topological properties of these graphs associated with different types of real-value series. We perform several numerical simulations to check the accuracy of our theoretical results. Finally, we present an application of the directed-limited penetrable horizontal visibility graph to measure real-value time series irreversibility and an application of the image-limited penetrable horizontal visibility graph that discriminates noise from chaos. We also propose a method to measure the systematic risk using the image-limited penetrable horizontal visibility graph, and the empirical results show the effectiveness of our proposed algorithms.

An algorithm for automatic reduction of complex signal flow graphs

NASA Technical Reports Server (NTRS)

Young, K. R.; Hoberock, L. L.; Thompson, J. G.

1976-01-01

A computer algorithm is developed that provides efficient means to compute transmittances directly from a signal flow graph or a block diagram. Signal flow graphs are cast as directed graphs described by adjacency matrices. Nonsearch computation, designed for compilers without symbolic capability, is used to identify all arcs that are members of simple cycles for use with Mason's gain formula. The routine does not require the visual acumen of an interpreter to reduce the topology of the graph, and it is particularly useful for analyzing control systems described for computer analyses by means of interactive graphics.

Route Network Construction with Location-Direction-Enabled Photographs

NASA Astrophysics Data System (ADS)

Fujita, Hideyuki; Sagara, Shota; Ohmori, Tadashi; Shintani, Takahiko

2018-05-01

We propose a method for constructing a geometric graph for generating routes that summarize a geographical area and also have visual continuity by using a set of location-direction-enabled photographs. A location- direction-enabled photograph is a photograph that has information about the location (position of the camera at the time of shooting) and the direction (direction of the camera at the time of shooting). Each nodes of the graph corresponds to a location-direction-enabled photograph. The location of each node is the location of the corresponding photograph, and a route on the graph corresponds to a route in the geographic area and a sequence of photographs. The proposed graph is constructed to represent characteristic spots and paths linking the spots, and it is assumed to be a kind of a spatial summarization of the area with the photographs. Therefore, we call the routes on the graph as spatial summary route. Each route on the proposed graph also has a visual continuity, which means that we can understand the spatial relationship among the continuous photographs on the route such as moving forward, backward, turning right, etc. In this study, when the changes in the shooting position and shooting direction satisfied a given threshold, the route was defined to have visual continuity. By presenting the photographs in order along the generated route, information can be presented sequentially, while maintaining visual continuity to a great extent.

A Ring Construction Using Finite Directed Graphs

ERIC Educational Resources Information Center

Bardzell, Michael

2012-01-01

In this paper we discuss an interesting class of noncommutative rings which can be constructed using finite directed graphs. This construction also creates a vector space. These structures provide undergraduate students connections between ring theory and graph theory and, among other things, allow them to see a ring unity element that looks quite…

Structure and Growth of the Leeward Kohala Field System: An Analysis with Directed Graphs

PubMed Central

Dye, Thomas S.

2014-01-01

This study illustrates how the theory of directed graphs can be used to investigate the structure and growth of the leeward Kohala field system, a traditional Hawaiian archaeological site that presents an unparalleled opportunity to investigate relative chronology. The relative chronological relationships of agricultural walls and trails in two detailed study areas are represented as directed graphs and then investigated using graph theoretic concepts including cycle, level, and connectedness. The structural properties of the directed graphs reveal structure in the field system at several spatial scales. A process of deduction yields a history of construction in each detailed study area that is different than the history produced by an earlier investigation. These results indicate that it is now possible to study the structure and growth of the entire field system remnant using computer software implementations of graph theoretic concepts applied to observations of agricultural wall and trail intersections made on aerial imagery and/or during fieldwork. A relative chronology of field system development with a resolution of one generation is a possible result. PMID:25058167

Generation of structurally novel short carotenoids and study of their biological activity

PubMed Central

Kim, Se H.; Kim, Moon S.; Lee, Bun Y.; Lee, Pyung C.

2016-01-01

Recent research interest in phytochemicals has consistently driven the efforts in the metabolic engineering field toward microbial production of various carotenoids. In spite of systematic studies, the possibility of using C30 carotenoids as biologically functional compounds has not been explored thus far. Here, we generated 13 novel structures of C30 carotenoids and one C35 carotenoid, including acyclic, monocyclic, and bicyclic structures, through directed evolution and combinatorial biosynthesis, in Escherichia coli. Measurement of radical scavenging activity of various C30 carotenoid structures revealed that acyclic C30 carotenoids showed higher radical scavenging activity than did DL-α-tocopherol. We could assume high potential biological activity of the novel structures of C30 carotenoids as well, based on the neuronal differentiation activity observed for the monocyclic C30 carotenoid 4,4′-diapotorulene on rat bone marrow mesenchymal stem cells. Our results demonstrate that a series of structurally novel carotenoids possessing biologically beneficial properties can be synthesized in E. coli. PMID:26902326

Generation of structurally novel short carotenoids and study of their biological activity.

PubMed

Kim, Se H; Kim, Moon S; Lee, Bun Y; Lee, Pyung C

2016-02-23

Recent research interest in phytochemicals has consistently driven the efforts in the metabolic engineering field toward microbial production of various carotenoids. In spite of systematic studies, the possibility of using C30 carotenoids as biologically functional compounds has not been explored thus far. Here, we generated 13 novel structures of C30 carotenoids and one C35 carotenoid, including acyclic, monocyclic, and bicyclic structures, through directed evolution and combinatorial biosynthesis, in Escherichia coli. Measurement of radical scavenging activity of various C30 carotenoid structures revealed that acyclic C30 carotenoids showed higher radical scavenging activity than did DL-α-tocopherol. We could assume high potential biological activity of the novel structures of C30 carotenoids as well, based on the neuronal differentiation activity observed for the monocyclic C30 carotenoid 4,4'-diapotorulene on rat bone marrow mesenchymal stem cells. Our results demonstrate that a series of structurally novel carotenoids possessing biologically beneficial properties can be synthesized in E. coli.

Phase transitions in Ising models on directed networks

NASA Astrophysics Data System (ADS)

Lipowski, Adam; Ferreira, António Luis; Lipowska, Dorota; Gontarek, Krzysztof

2015-11-01

We examine Ising models with heat-bath dynamics on directed networks. Our simulations show that Ising models on directed triangular and simple cubic lattices undergo a phase transition that most likely belongs to the Ising universality class. On the directed square lattice the model remains paramagnetic at any positive temperature as already reported in some previous studies. We also examine random directed graphs and show that contrary to undirected ones, percolation of directed bonds does not guarantee ferromagnetic ordering. Only above a certain threshold can a random directed graph support finite-temperature ferromagnetic ordering. Such behavior is found also for out-homogeneous random graphs, but in this case the analysis of magnetic and percolative properties can be done exactly. Directed random graphs also differ from undirected ones with respect to zero-temperature freezing. Only at low connectivity do they remain trapped in a disordered configuration. Above a certain threshold, however, the zero-temperature dynamics quickly drives the model toward a broken symmetry (magnetized) state. Only above this threshold, which is almost twice as large as the percolation threshold, do we expect the Ising model to have a positive critical temperature. With a very good accuracy, the behavior on directed random graphs is reproduced within a certain approximate scheme.

Synergistic effects of acyclic retinoid and OSI-461 on growth inhibition and gene expression in human hepatoma cells.

PubMed

Shimizu, Masahito; Suzui, Masumi; Deguchi, Atsuko; Lim, Jin T E; Xiao, Danhua; Hayes, Julia H; Papadopoulos, Kyriakos P; Weinstein, I Bernard

2004-10-01

Hepatoma is one of the most frequently occurring cancers worldwide. However, effective chemotherapeutic agents for this disease have not been developed. Acyclic retinoid, a novel synthetic retinoid, can reduce the incidence of postsurgical recurrence of hepatoma and improve the survival rate. OSI-461, a potent derivative of exisulind, can increase intracellular levels of cyclic GMP, which leads to activation of protein kinase G and induction of apoptosis in cancer cells. In the present study, we examined the combined effects of acyclic retinoid plus OSI-461 in the HepG2 human hepatoma cell line. We found that the combination of as little as 1.0 micromol/L acyclic retinoid and 0.01 micromol/L OSI-461 exerted synergistic inhibition of the growth of HepG2 cells. Combined treatment with low concentrations of these two agents also acted synergistically to induce apoptosis in HepG2 cells through induction of Bax and Apaf-1, reduction of Bcl-2 and Bcl-xL, and activation of caspase-3, -8, and -9. OSI-461 enhanced the G0-G1 arrest caused by acyclic retinoid, and the combination of these agents caused a synergistic decrease in the levels of expression of cyclin D1 protein and mRNA, inhibited cyclin D1 promoter activity, decreased the level of hyperphosphorylated forms of the Rb protein, induced increased cellular levels of the p21(CIP1) protein and mRNA, and stimulated p21(CIP1) promoter activity. Moreover, OSI-461 enhanced the ability of acyclic retinoid to induce increased cellular levels of retinoic acid receptor beta and to stimulate retinoic acid response element-chloramphenicol acetyltransferase activity. A hypothetical model involving concerted effects on p21(CIP1) and retinoic acid receptor beta expression is proposed to explain these synergistic effects. Our results suggest that the combination of acyclic retinoid plus OSI-461 might be an effective regimen for the chemoprevention and chemotherapy of human hepatoma and possibly other malignancies.

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

PubMed

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.

Reproductive hormonal patterns in pregnant, pseudopregnant and acyclic captive African wild dogs (Lycaon pictus).

PubMed

Van der Weyde, L K; Martin, G B; Blackberry, M A; Gruen, V; Harland, A; Paris, M C J

2015-05-01

African wild dogs are one of the most endangered canid species, with free-living populations declining as a consequence of habitat loss, disease and human conflict. Captive breeding is considered an important conservation strategy, but is hampered by a poor overall understanding of the reproductive biology of the species. To improve our basic knowledge, we studied hormone patterns in 15 female wild dogs using non-invasive faecal collections. By comparing longitudinal hormone profiles with behavioural and anatomical changes, females could be allocated among three reproductive classes: pregnant (n=1), pseudopregnant (n=9) and acyclic (n=4). We also monitored a single female in which contraception was induced with a deslorelin implant. Comparison of pseudopregnant and acyclic females showed that, in both classes, faecal oestradiol concentrations increased from anoestrus to pro-oestrus then declined into the oestrous and dioestrous phases. Progestagen concentrations rose steadily from anoestrus to the dioestrous phase in both pseudopregnant and acyclic females and, pseudopregnant females had significantly higher concentrations of progestagens than acyclic females in all phases of the oestrous cycle. Most females classed as pseudopregnant were found in female-only groups, suggesting that wild dogs are spontaneous ovulators. Furthermore, only one adult female did not ovulate, so suppression of reproduction in subordinates is likely to be behavioural rather than physiological. Copyright © 2015. Published by Elsevier B.V.

Simple graph models of information spread in finite populations

PubMed Central

Voorhees, Burton; Ryder, Bergerud

2015-01-01

We consider several classes of simple graphs as potential models for information diffusion in a structured population. These include biases cycles, dual circular flows, partial bipartite graphs and what we call ‘single-link’ graphs. In addition to fixation probabilities, we study structure parameters for these graphs, including eigenvalues of the Laplacian, conductances, communicability and expected hitting times. In several cases, values of these parameters are related, most strongly so for partial bipartite graphs. A measure of directional bias in cycles and circular flows arises from the non-zero eigenvalues of the antisymmetric part of the Laplacian and another measure is found for cycles as the value of the transition probability for which hitting times going in either direction of the cycle are equal. A generalization of circular flow graphs is used to illustrate the possibility of tuning edge weights to match pre-specified values for graph parameters; in particular, we show that generalizations of circular flows can be tuned to have fixation probabilities equal to the Moran probability for a complete graph by tuning vertex temperature profiles. Finally, single-link graphs are introduced as an example of a graph involving a bottleneck in the connection between two components and these are compared to the partial bipartite graphs. PMID:26064661

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

PubMed

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.

Causal Networks with Selectively Influenced Components

DTIC Science & Technology

2012-02-29

influences a different vertex. If so, the form of a processing tree accounting for the data can determined. Prior to the work on the grant, processing...their order. Processing trees were found to account well for data in the literature on immediate ordered recall and on effects of sleep and...ordered in the network) or concurrent (unordered). Ordinarily for a given data set, if one directed acyclic network can account for the data

Directed Laplacians For Fuzzy Autocatalytic Set Of Fuzzy Graph Type-3 Of An Incineration Process

NASA Astrophysics Data System (ADS)

Ahmad, Tahir; Baharun, Sabariah; Bakar, Sumarni Abu

2010-11-01

Fuzzy Autocatalytic Set (FACS) of Fuzzy Graph Type-3 was used in the modeling of a clinical waste incineration process in Malacca. FACS provided more accurate explanations of the incineration process than using crisp graph. In this paper we explore further FACS. Directed and combinatorial Laplacian of FACS are developed and their basic properties are presented.

Dynamics on Networks of Manifolds

NASA Astrophysics Data System (ADS)

DeVille, Lee; Lerman, Eugene

2015-03-01

We propose a precise definition of a continuous time dynamical system made up of interacting open subsystems. The interconnections of subsystems are coded by directed graphs. We prove that the appropriate maps of graphs called graph fibrations give rise to maps of dynamical systems. Consequently surjective graph fibrations give rise to invariant subsystems and injective graph fibrations give rise to projections of dynamical systems.

Clustering in complex directed networks

NASA Astrophysics Data System (ADS)

Fagiolo, Giorgio

2007-08-01

Many empirical networks display an inherent tendency to cluster, i.e., to form circles of connected nodes. This feature is typically measured by the clustering coefficient (CC). The CC, originally introduced for binary, undirected graphs, has been recently generalized to weighted, undirected networks. Here we extend the CC to the case of (binary and weighted) directed networks and we compute its expected value for random graphs. We distinguish between CCs that count all directed triangles in the graph (independently of the direction of their edges) and CCs that only consider particular types of directed triangles (e.g., cycles). The main concepts are illustrated by employing empirical data on world-trade flows.

Alcohol intake and the risk of intracerebral hemorrhage in the elderly: The MUCH-Italy.

PubMed

Costa, Paolo; Grassi, Mario; Iacoviello, Licia; Zedde, Marialuisa; Marcheselli, Simona; Silvestrelli, Giorgio; DeLodovici, Maria Luisa; Sessa, Maria; Zini, Andrea; Paciaroni, Maurizio; Azzini, Cristiano; Gamba, Massimo; Del Sette, Massimo; Toriello, Antonella; Gandolfo, Carlo; Bonifati, Domenico Marco; Tassi, Rossana; Cavallini, Anna; Chiti, Alberto; Calabrò, Rocco Salvatore; Grillo, Francesco; Bovi, Paolo; Tomelleri, Giampaolo; Di Castelnuovo, Augusto; Ritelli, Marco; Agnelli, Giancarlo; De Vito, Alessandro; Pugliese, Nicola; Martini, Giuseppe; Lodigiani, Corrado; Morotti, Andrea; Poli, Loris; De Giuli, Valeria; Caria, Filomena; Cornali, Claudio; de Gaetano, Giovanni; Colombi, Marina; Padovani, Alessandro; Pezzini, Alessandro

2018-06-13

To investigate the role of alcohol as a causal factor for intracerebral hemorrhage (ICH) and whether its effects might vary according to the pathogenic mechanisms underlying cerebral bleeding. We performed a case-control analysis, comparing a cohort of consecutive white patients with ICH aged 55 years and older with a group of age- and sex-matched stroke-free controls, enrolled in the setting of the Multicenter Study on Cerebral Haemorrhage in Italy (MUCH-Italy) between 2002 and 2014. Participants were dichotomized into excessive drinkers (>45 g of alcohol) and light to moderate drinkers or nondrinkers. To isolate the unconfounded effect of alcohol on ICH, we used causal directed acyclic graphs and the back-door criterion to select a minimal sufficient adjustment set(s) of variables for multivariable analyses. Analyses were performed on the whole group as well as separately for lobar and deep ICH. We analyzed 3,173 patients (1,471 lobar ICH and 1,702 deep ICH) and 3,155 controls. After adjusting for the preselected variables in the minimal sufficient adjustments, heavy alcohol intake was associated with deep ICH risk (odds ratio [OR], 1.68; 95% confidence interval [CI], 1.36-2.09) as well as with the overall risk of ICH (OR, 1.38; 95% CI, 1.17-1.63), whereas no effect was found for lobar ICH (OR, 1.01; 95% CI, 0.77-1.32). In white people aged 55 years and older, high alcohol intake might exert a causal effect on ICH, with a prominent role in the vascular pathologies underlying deep ICH. © 2018 American Academy of Neurology.

Lifetime Alcohol Use & Cognitive Performance in Older Adults

PubMed Central

Kalapatapu, Raj K.; Ventura, Maria I.; Barnes, Deborah E.

2016-01-01

Background Substance use is an important clinical issue in the older adult population. As older adults are susceptible to cognitive disorders, the intersection of the fields of substance use and cognitive neuroscience is an active area of research. Prior studies of alcohol use and cognitive performance are mixed, and inconsistencies may be due to under- or over-adjustment for confounders. Aim This manuscript adds to this literature by conducting a secondary analysis of self-reported lifetime history of alcohol use and cognitive performance in older adults (n = 133). We hypothesized that current alcohol users would have poorer cognitive performance compared to never/minimal and former alcohol users. Methods Older adult participants were classified into never/minimal alcohol users, former alcohol users, and current alcohol users. A neurocognitive battery included a global cognitive measure and individual measures of attention, memory, fluency, and executive function. A directed acyclic graph (DAG)-based approach was used to select variables to be included in the multiple linear regression models. Results Though unadjusted analyses showed some significant associations between alcohol use and cognitive performance, all associations between alcohol use and cognitive performance were eliminated after adjusting for age, education, sex, race and smoking pack years. Alcohol drink years were not significantly associated with cognitive performance among current and former alcohol users. Discussion These results suggest that lifetime alcohol use is not significantly associated with cognitive performance in older adults after adjustment for key confounders. Inconsistencies in prior studies may be due to uncontrolled confounding and/or unnecessary adjustment of mediators and/or colliders. PMID:27719514

Sample classification for improved performance of PLS models applied to the quality control of deep-frying oils of different botanic origins analyzed using ATR-FTIR spectroscopy.

PubMed

Kuligowski, Julia; Carrión, David; Quintás, Guillermo; Garrigues, Salvador; de la Guardia, Miguel

2011-01-01

The selection of an appropriate calibration set is a critical step in multivariate method development. In this work, the effect of using different calibration sets, based on a previous classification of unknown samples, on the partial least squares (PLS) regression model performance has been discussed. As an example, attenuated total reflection (ATR) mid-infrared spectra of deep-fried vegetable oil samples from three botanical origins (olive, sunflower, and corn oil), with increasing polymerized triacylglyceride (PTG) content induced by a deep-frying process were employed. The use of a one-class-classifier partial least squares-discriminant analysis (PLS-DA) and a rooted binary directed acyclic graph tree provided accurate oil classification. Oil samples fried without foodstuff could be classified correctly, independent of their PTG content. However, class separation of oil samples fried with foodstuff, was less evident. The combined use of double-cross model validation with permutation testing was used to validate the obtained PLS-DA classification models, confirming the results. To discuss the usefulness of the selection of an appropriate PLS calibration set, the PTG content was determined by calculating a PLS model based on the previously selected classes. In comparison to a PLS model calculated using a pooled calibration set containing samples from all classes, the root mean square error of prediction could be improved significantly using PLS models based on the selected calibration sets using PLS-DA, ranging between 1.06 and 2.91% (w/w).

The Choice between MapMan and Gene Ontology for Automated Gene Function Prediction in Plant Science

PubMed Central

Klie, Sebastian; Nikoloski, Zoran

2012-01-01

Since the introduction of the Gene Ontology (GO), the analysis of high-throughput data has become tightly coupled with the use of ontologies to establish associations between knowledge and data in an automated fashion. Ontologies provide a systematic description of knowledge by a controlled vocabulary of defined structure in which ontological concepts are connected by pre-defined relationships. In plant science, MapMan and GO offer two alternatives for ontology-driven analyses. Unlike GO, initially developed to characterize microbial systems, MapMan was specifically designed to cover plant-specific pathways and processes. While the dependencies between concepts in MapMan are modeled as a tree, in GO these are captured in a directed acyclic graph. Therefore, the difference in ontologies may cause discrepancies in data reduction, visualization, and hypothesis generation. Here provide the first systematic comparative analysis of GO and MapMan for the case of the model plant species Arabidopsis thaliana (Arabidopsis) with respect to their structural properties and difference in distributions of information content. In addition, we investigate the effect of the two ontologies on the specificity and sensitivity of automated gene function prediction via the coupling of co-expression networks and the guilt-by-association principle. Automated gene function prediction is particularly needed for the model plant Arabidopsis in which only half of genes have been functionally annotated based on sequence similarity to known genes. The results highlight the need for structured representation of species-specific biological knowledge, and warrants caution in the design principles employed in future ontologies. PMID:22754563

Scalable Failure Masking for Stencil Computations using Ghost Region Expansion and Cell to Rank Remapping

DOE PAGES

Gamell, Marc; Teranishi, Keita; Kolla, Hemanth; ...

2017-10-26

In order to achieve exascale systems, application resilience needs to be addressed. Some programming models, such as task-DAG (directed acyclic graphs) architectures, currently embed resilience features whereas traditional SPMD (single program, multiple data) and message-passing models do not. Since a large part of the community's code base follows the latter models, it is still required to take advantage of application characteristics to minimize the overheads of fault tolerance. To that end, this paper explores how recovering from hard process/node failures in a local manner is a natural approach for certain applications to obtain resilience at lower costs in faulty environments.more » In particular, this paper targets enabling online, semitransparent local recovery for stencil computations on current leadership-class systems as well as presents programming support and scalable runtime mechanisms. Also described and demonstrated in this paper is the effect of failure masking, which allows the effective reduction of impact on total time to solution due to multiple failures. Furthermore, we discuss, implement, and evaluate ghost region expansion and cell-to-rank remapping to increase the probability of failure masking. To conclude, this paper shows the integration of all aforementioned mechanisms with the S3D combustion simulation through an experimental demonstration (using the Titan system) of the ability to tolerate high failure rates (i.e., node failures every five seconds) with low overhead while sustaining performance at large scales. In addition, this demonstration also displays the failure masking probability increase resulting from the combination of both ghost region expansion and cell-to-rank remapping.« less

A Ternary Brain-Computer Interface Based on Single-Trial Readiness Potentials of Self-initiated Fine Movements: A Diversified Classification Scheme

PubMed Central

Abou Zeid, Elias; Rezazadeh Sereshkeh, Alborz; Schultz, Benjamin; Chau, Tom

2017-01-01

In recent years, the readiness potential (RP), a type of pre-movement neural activity, has been investigated for asynchronous electroencephalogram (EEG)-based brain-computer interfaces (BCIs). Since the RP is attenuated for involuntary movements, a BCI driven by RP alone could facilitate intentional control amid a plethora of unintentional movements. Previous studies have mainly attempted binary single-trial classification of RP. An RP-based BCI with three or more states would expand the options for functional control. Here, we propose a ternary BCI based on single-trial RPs. This BCI classifies amongst an idle state, a left hand and a right hand self-initiated fine movement. A pipeline of spatio-temporal filtering with per participant parameter optimization was used for feature extraction. The ternary classification was decomposed into binary classifications using a decision-directed acyclic graph (DDAG). For each class pair in the DDAG structure, an ordered diversified classifier system (ODCS-DDAG) was used to select the best among various classification algorithms or to combine the results of different classification algorithms. Using EEG data from 14 participants performing self-initiated left or right key presses, punctuated with rest periods, we compared the performance of ODCS-DDAG to a ternary classifier and four popular multiclass decomposition methods using only a single classification algorithm. ODCS-DDAG had the highest performance (0.769 Cohen's Kappa score) and was significantly better than the ternary classifier and two of the four multiclass decomposition methods. Our work supports further study of RP-based BCI for intuitive asynchronous environmental control or augmentative communication. PMID:28596725

DincRNA: a comprehensive web-based bioinformatics toolkit for exploring disease associations and ncRNA function.

PubMed

Cheng, Liang; Hu, Yang; Sun, Jie; Zhou, Meng; Jiang, Qinghua

2018-06-01

DincRNA aims to provide a comprehensive web-based bioinformatics toolkit to elucidate the entangled relationships among diseases and non-coding RNAs (ncRNAs) from the perspective of disease similarity. The quantitative way to illustrate relationships of pair-wise diseases always depends on their molecular mechanisms, and structures of the directed acyclic graph of Disease Ontology (DO). Corresponding methods for calculating similarity of pair-wise diseases involve Resnik's, Lin's, Wang's, PSB and SemFunSim methods. Recently, disease similarity was validated suitable for calculating functional similarities of ncRNAs and prioritizing ncRNA-disease pairs, and it has been widely applied for predicting the ncRNA function due to the limited biological knowledge from wet lab experiments of these RNAs. For this purpose, a large number of algorithms and priori knowledge need to be integrated. e.g. 'pair-wise best, pairs-average' (PBPA) and 'pair-wise all, pairs-maximum' (PAPM) methods for calculating functional similarities of ncRNAs, and random walk with restart (RWR) method for prioritizing ncRNA-disease pairs. To facilitate the exploration of disease associations and ncRNA function, DincRNA implemented all of the above eight algorithms based on DO and disease-related genes. Currently, it provides the function to query disease similarity scores, miRNA and lncRNA functional similarity scores, and the prioritization scores of lncRNA-disease and miRNA-disease pairs. http://bio-annotation.cn:18080/DincRNAClient/. biofomeng@hotmail.com or qhjiang@hit.edu.cn. Supplementary data are available at Bioinformatics online.

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

PubMed Central

2014-01-01

Background 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. Results 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. Conclusions 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. PMID:24980787

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

PubMed

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.

Alterations in comprehensive geriatric assessment decrease survival of elderly patients with cancer.

PubMed

Frasca, M; Soubeyran, P; Bellera, C; Rainfray, M; Leffondre, K; Mathoulin-Pélissier, S

2018-02-01

A comprehensive geriatric assessment (CGA) evaluating several domains of health is recommended for elderly patients with cancer. Effects of altered domains on the risk of death in this population need to be clarified. The aim of this study was to estimate the independent association of each CGA domain to overall survival (OS). Patients included in the ONCODAGE cohort completed a CGA at baseline. Cox models (one per domain) estimated the hazard ratio (HR) of death for each CGA domain. Directed Acyclic Graphs (DAGs) selected specific sets of adjustment factors for each model. The analysis included 1264 patients (mean age: 78 years, women: 70%). Median follow-up was 5.2 years, and 446 patients died. Each altered domain had a detrimental effect on survival, sometimes dependent on gender, age, education or time from inclusion. Nutritional status had a time-varying effect, with higher mortality rates if altered only within the first 3 years of follow-up. In case of altered mobility, the risk of death was higher only for the youngest patients and, in case of altered autonomy, only for the youngest women. An altered neurological state led to higher mortality rates; this effect increased with the level of education. Patients with altered psychological status or more than four comorbidities at baseline had also higher mortality rates. Patients with an altered CGA domain have a higher risk of death than those without any alteration. The effect of some alterations is different in some subgroups or at a given time of the treatments. Copyright © 2017 Elsevier Ltd. All rights reserved.

Association between urbanisation and type 2 diabetes: an ecological study.

PubMed

Gassasse, Zakariah; Smith, Dianna; Finer, Sarah; Gallo, Valentina

2017-01-01

Previous studies have explored the effect of urbanisation on the prevalence of type 2 diabetes (T2D) at regional/national level. The aim of this study is to investigate the association between urbanisation and T2D at country level, worldwide, and to explore the role of intermediate variables (physical inactivity, sugar consumption and obesity). The potential effect modification of gross domestic product (GDP) was also assessed. Data for 207 countries were collected from accessible datasets. Direct acyclic graphs were used to describe the association between urbanisation, T2D and their intermediate variables (physical inactivity, sugar consumption and obesity). Urbanisation was measured as urban percentage (UP) and as agglomeration index (AI). Crude and multivariate linear regression analyses were conducted to explore selected associations. The interaction between urbanisation and T2D across levels of GDP per capita was investigated. The association between urbanisation and T2D diverged by exposure: AI was positively associated, while UP negatively associated with T2D prevalence. Physical inactivity and obesity were statistically significantly associated with increased prevalence of T2D. In middle-income countries (MIC) UP, AI and GDP were significantly associated with T2D prevalence, while in high-income countries (HIC), physical inactivity and obesity were the main determinant of T2D prevalence. The type of urban growth, not urbanisation per se, predicted T2D prevalence at country level. In MIC, population density and GDP were the main determinant of diabetes, while in HIC. these were physical inactivity and obesity. Globalisation is playing an important role in the rise of T2D worldwide.

On Complex Networks Representation and Computation of Hydrologycal Quantities

NASA Astrophysics Data System (ADS)

Serafin, F.; Bancheri, M.; David, O.; Rigon, R.

2017-12-01

Water is our blue gold. Despite results of discovery-based science keep warning public opinion about the looming worldwide water crisis, water is still treated as a not worth taking resource. Could a different multi-scale perspective affect environmental decision-making more deeply? Can also a further pairing to a new graphical representation of processes interaction sway decision-making more effectively and public opinion consequently?This abstract introduces a complex networks driven way to represent catchments eco-hydrology and related flexible informatics to manage it. The representation is built upon mathematical category. A category is an algebraic structure that comprises "objects" linked by "arrows". It is an evolution of Petri Nets said Time Continuous Petri Nets (TCPN). It aims to display (water) budgets processes and catchment interactions using explicative and self-contained symbolism. The result improves readability of physical processes compared to current descriptions. The IT perspective hinges on the Object Modeling System (OMS) v3. The latter is a non-invasive flexible environmental modeling framework designed to support component-based model development. The implementation of a Directed Acyclic Graph (DAG) data structure, named Net3, has recently enhanced its flexibility. Net3 represents interacting systems as complex networks: vertices match up with any sort of time evolving quantity; edges correspond to their data (fluxes) interchange. It currently hosts JGrass-NewAge components, and those implementing travel time analysis of fluxes. Further bio-physical or management oriented components can be easily added.This talk introduces both graphical representation and related informatics exercising actual applications and examples.

Application of bayesian networks to real-time flood risk estimation

NASA Astrophysics Data System (ADS)

Garrote, L.; Molina, M.; Blasco, G.

2003-04-01

This paper presents the application of a computational paradigm taken from the field of artificial intelligence - the bayesian network - to model the behaviour of hydrologic basins during floods. The final goal of this research is to develop representation techniques for hydrologic simulation models in order to define, develop and validate a mechanism, supported by a software environment, oriented to build decision models for the prediction and management of river floods in real time. The emphasis is placed on providing decision makers with tools to incorporate their knowledge of basin behaviour, usually formulated in terms of rainfall-runoff models, in the process of real-time decision making during floods. A rainfall-runoff model is only a step in the process of decision making. If a reliable rainfall forecast is available and the rainfall-runoff model is well calibrated, decisions can be based mainly on model results. However, in most practical situations, uncertainties in rainfall forecasts or model performance have to be incorporated in the decision process. The computation paradigm adopted for the simulation of hydrologic processes is the bayesian network. A bayesian network is a directed acyclic graph that represents causal influences between linked variables. Under this representation, uncertain qualitative variables are related through causal relations quantified with conditional probabilities. The solution algorithm allows the computation of the expected probability distribution of unknown variables conditioned to the observations. An approach to represent hydrologic processes by bayesian networks with temporal and spatial extensions is presented in this paper, together with a methodology for the development of bayesian models using results produced by deterministic hydrologic simulation models

Scalable Failure Masking for Stencil Computations using Ghost Region Expansion and Cell to Rank Remapping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gamell, Marc; Teranishi, Keita; Kolla, Hemanth

In order to achieve exascale systems, application resilience needs to be addressed. Some programming models, such as task-DAG (directed acyclic graphs) architectures, currently embed resilience features whereas traditional SPMD (single program, multiple data) and message-passing models do not. Since a large part of the community's code base follows the latter models, it is still required to take advantage of application characteristics to minimize the overheads of fault tolerance. To that end, this paper explores how recovering from hard process/node failures in a local manner is a natural approach for certain applications to obtain resilience at lower costs in faulty environments.more » In particular, this paper targets enabling online, semitransparent local recovery for stencil computations on current leadership-class systems as well as presents programming support and scalable runtime mechanisms. Also described and demonstrated in this paper is the effect of failure masking, which allows the effective reduction of impact on total time to solution due to multiple failures. Furthermore, we discuss, implement, and evaluate ghost region expansion and cell-to-rank remapping to increase the probability of failure masking. To conclude, this paper shows the integration of all aforementioned mechanisms with the S3D combustion simulation through an experimental demonstration (using the Titan system) of the ability to tolerate high failure rates (i.e., node failures every five seconds) with low overhead while sustaining performance at large scales. In addition, this demonstration also displays the failure masking probability increase resulting from the combination of both ghost region expansion and cell-to-rank remapping.« less

Efficient parallel and out of core algorithms for constructing large bi-directed de Bruijn graphs.

PubMed

Kundeti, Vamsi K; Rajasekaran, Sanguthevar; Dinh, Hieu; Vaughn, Matthew; Thapar, Vishal

2010-11-15

Assembling genomic sequences from a set of overlapping reads is one of the most fundamental problems in computational biology. Algorithms addressing the assembly problem fall into two broad categories - based on the data structures which they employ. The first class uses an overlap/string graph and the second type uses a de Bruijn graph. However with the recent advances in short read sequencing technology, de Bruijn graph based algorithms seem to play a vital role in practice. Efficient algorithms for building these massive de Bruijn graphs are very essential in large sequencing projects based on short reads. In an earlier work, an O(n/p) time parallel algorithm has been given for this problem. Here n is the size of the input and p is the number of processors. This algorithm enumerates all possible bi-directed edges which can overlap with a node and ends up generating Θ(nΣ) messages (Σ being the size of the alphabet). In this paper we present a Θ(n/p) time parallel algorithm with a communication complexity that is equal to that of parallel sorting and is not sensitive to Σ. The generality of our algorithm makes it very easy to extend it even to the out-of-core model and in this case it has an optimal I/O complexity of Θ(nlog(n/B)Blog(M/B)) (M being the main memory size and B being the size of the disk block). We demonstrate the scalability of our parallel algorithm on a SGI/Altix computer. A comparison of our algorithm with the previous approaches reveals that our algorithm is faster--both asymptotically and practically. We demonstrate the scalability of our sequential out-of-core algorithm by comparing it with the algorithm used by VELVET to build the bi-directed de Bruijn graph. Our experiments reveal that our algorithm can build the graph with a constant amount of memory, which clearly outperforms VELVET. We also provide efficient algorithms for the bi-directed chain compaction problem. The bi-directed de Bruijn graph is a fundamental data structure for any sequence assembly program based on Eulerian approach. Our algorithms for constructing Bi-directed de Bruijn graphs are efficient in parallel and out of core settings. These algorithms can be used in building large scale bi-directed de Bruijn graphs. Furthermore, our algorithms do not employ any all-to-all communications in a parallel setting and perform better than the prior algorithms. Finally our out-of-core algorithm is extremely memory efficient and can replace the existing graph construction algorithm in VELVET.

Advanced software development workstation. Engineering scripting language graphical editor: DRAFT design document

NASA Technical Reports Server (NTRS)

1991-01-01

The Engineering Scripting Language (ESL) is a language designed to allow nonprogramming users to write Higher Order Language (HOL) programs by drawing directed graphs to represent the program and having the system generate the corresponding program in HOL. The ESL system supports user generation of HOL programs through the manipulation of directed graphs. The components of this graphs (nodes, ports, and connectors) are objects each of which has its own properties and property values. The purpose of the ESL graphical editor is to allow the user to create or edit graph objects which represent programs.

Toward the optimization of normalized graph Laplacian.

PubMed

Xie, Bo; Wang, Meng; Tao, Dacheng

2011-04-01

Normalized graph Laplacian has been widely used in many practical machine learning algorithms, e.g., spectral clustering and semisupervised learning. However, all of them use the Euclidean distance to construct the graph Laplacian, which does not necessarily reflect the inherent distribution of the data. In this brief, we propose a method to directly optimize the normalized graph Laplacian by using pairwise constraints. The learned graph is consistent with equivalence and nonequivalence pairwise relationships, and thus it can better represent similarity between samples. Meanwhile, our approach, unlike metric learning, automatically determines the scale factor during the optimization. The learned normalized Laplacian matrix can be directly applied in spectral clustering and semisupervised learning algorithms. Comprehensive experiments demonstrate the effectiveness of the proposed approach.

Evaluating structural pattern recognition for handwritten math via primitive label graphs

NASA Astrophysics Data System (ADS)

Zanibbi, Richard; Mouchère, Harold; Viard-Gaudin, Christian

2013-01-01

Currently, structural pattern recognizer evaluations compare graphs of detected structure to target structures (i.e. ground truth) using recognition rates, recall and precision for object segmentation, classification and relationships. In document recognition, these target objects (e.g. symbols) are frequently comprised of multiple primitives (e.g. connected components, or strokes for online handwritten data), but current metrics do not characterize errors at the primitive level, from which object-level structure is obtained. Primitive label graphs are directed graphs defined over primitives and primitive pairs. We define new metrics obtained by Hamming distances over label graphs, which allow classification, segmentation and parsing errors to be characterized separately, or using a single measure. Recall and precision for detected objects may also be computed directly from label graphs. We illustrate the new metrics by comparing a new primitive-level evaluation to the symbol-level evaluation performed for the CROHME 2012 handwritten math recognition competition. A Python-based set of utilities for evaluating, visualizing and translating label graphs is publicly available.

Iron-catalyzed stereospecific activation of olefinic C-H bonds with Grignard reagent for synthesis of substituted olefins.

PubMed

Ilies, Laurean; Asako, Sobi; Nakamura, Eiichi

2011-05-25

The reaction of an aryl Grignard reagent with a cyclic or acyclic olefin possessing a directing group such as pyridine or imine results in the stereospecific substitution of the olefinic C-H bond syn to the directing group. The reaction takes place smoothly and without isomerization of the product olefin in the presence of a mild oxidant (1,2-dichloro-2-methylpropane) and an aromatic cosolvent. Several lines of evidence suggest that the reaction proceeds via iron-catalyzed olefinic C-H bond activation rather than an oxidative Mizoroki-Heck-type reaction.

n-Nucleotide circular codes in graph theory.

PubMed

Fimmel, Elena; Michel, Christian J; Strüngmann, Lutz

2016-03-13

The circular code theory proposes that genes are constituted of two trinucleotide codes: the classical genetic code with 61 trinucleotides for coding the 20 amino acids (except the three stop codons {TAA,TAG,TGA}) and a circular code based on 20 trinucleotides for retrieving, maintaining and synchronizing the reading frame. It relies on two main results: the identification of a maximal C(3) self-complementary trinucleotide circular code X in genes of bacteria, eukaryotes, plasmids and viruses (Michel 2015 J. Theor. Biol. 380, 156-177. (doi:10.1016/j.jtbi.2015.04.009); Arquès & Michel 1996 J. Theor. Biol. 182, 45-58. (doi:10.1006/jtbi.1996.0142)) and the finding of X circular code motifs in tRNAs and rRNAs, in particular in the ribosome decoding centre (Michel 2012 Comput. Biol. Chem. 37, 24-37. (doi:10.1016/j.compbiolchem.2011.10.002); El Soufi & Michel 2014 Comput. Biol. Chem. 52, 9-17. (doi:10.1016/j.compbiolchem.2014.08.001)). The univerally conserved nucleotides A1492 and A1493 and the conserved nucleotide G530 are included in X circular code motifs. Recently, dinucleotide circular codes were also investigated (Michel & Pirillo 2013 ISRN Biomath. 2013, 538631. (doi:10.1155/2013/538631); Fimmel et al. 2015 J. Theor. Biol. 386, 159-165. (doi:10.1016/j.jtbi.2015.08.034)). As the genetic motifs of different lengths are ubiquitous in genes and genomes, we introduce a new approach based on graph theory to study in full generality n-nucleotide circular codes X, i.e. of length 2 (dinucleotide), 3 (trinucleotide), 4 (tetranucleotide), etc. Indeed, we prove that an n-nucleotide code X is circular if and only if the corresponding graph [Formula: see text] is acyclic. Moreover, the maximal length of a path in [Formula: see text] corresponds to the window of nucleotides in a sequence for detecting the correct reading frame. Finally, the graph theory of tournaments is applied to the study of dinucleotide circular codes. It has full equivalence between the combinatorics theory (Michel & Pirillo 2013 ISRN Biomath. 2013, 538631. (doi:10.1155/2013/538631)) and the group theory (Fimmel et al. 2015 J. Theor. Biol. 386, 159-165. (doi:10.1016/j.jtbi.2015.08.034)) of dinucleotide circular codes while its mathematical approach is simpler. © 2016 The Author(s).

A system for routing arbitrary directed graphs on SIMD architectures

NASA Technical Reports Server (NTRS)

Tomboulian, Sherryl

1987-01-01

There are many problems which can be described in terms of directed graphs that contain a large number of vertices where simple computations occur using data from connecting vertices. A method is given for parallelizing such problems on an SIMD machine model that is bit-serial and uses only nearest neighbor connections for communication. Each vertex of the graph will be assigned to a processor in the machine. Algorithms are given that will be used to implement movement of data along the arcs of the graph. This architecture and algorithms define a system that is relatively simple to build and can do graph processing. All arcs can be transversed in parallel in time O(T), where T is empirically proportional to the diameter of the interconnection network times the average degree of the graph. Modifying or adding a new arc takes the same time as parallel traversal.

Direct synthesis of Z-alkenyl halides through catalytic cross-metathesis

PubMed Central

Koh, Ming Joo; Nguyen, Thach T.; Zhang, Hanmo; Schrock, Richard R.; Hoveyda, Amir H.

2016-01-01

Olefin metathesis has made a significant impact on modern organic chemistry, but important shortcomings remain: for example, the lack of efficient processes that can be used to generate acyclic alkenyl halides. Halo-substituted ruthenium carbene complexes decompose rapidly or deliver low activity and/or minimal stereoselectivity, and our understanding of the corresponding high-oxidation-state systems is very limited. In this manuscript, we show that previously unknown halo-substituted molybdenum alkylidene species are exceptionally reactive and are able to participate in high-yielding olefin metathesis reactions that afford acyclic 1,2-disubstituted Z-alkenyl halides. Transformations are promoted by small amounts of an in situ-generated catalyst with unpurified, commercially available and easy-to-handle liquid 1,2-dihaloethene reagents and proceed to high conversion at ambient temperature within four hours. Many alkenyl chlorides, bromides and fluorides can be obtained in up to 91 percent yield and complete Z selectivity. This method can be used to easily synthesize biologically active compounds and to perform the site- and stereoselective fluorination of other organic compounds. PMID:27008965

A Direct Mapping of Max k-SAT and High Order Parity Checks to a Chimera Graph

PubMed Central

Chancellor, N.; Zohren, S.; Warburton, P. A.; Benjamin, S. C.; Roberts, S.

2016-01-01

We demonstrate a direct mapping of max k-SAT problems (and weighted max k-SAT) to a Chimera graph, which is the non-planar hardware graph of the devices built by D-Wave Systems Inc. We further show that this mapping can be used to map a similar class of maximum satisfiability problems where the clauses are replaced by parity checks over potentially large numbers of bits. The latter is of specific interest for applications in decoding for communication. We discuss an example in which the decoding of a turbo code, which has been demonstrated to perform near the Shannon limit, can be mapped to a Chimera graph. The weighted max k-SAT problem is the most general class of satisfiability problems, so our result effectively demonstrates how any satisfiability problem may be directly mapped to a Chimera graph. Our methods faithfully reproduce the low energy spectrum of the target problems, so therefore may also be used for maximum entropy inference. PMID:27857179

Identification of Genes and Proteins Necessary for Catabolism of Acyclic Terpenes and Leucine/Isovalerate in Pseudomonas aeruginosa

PubMed Central

Förster-Fromme, Karin; Höschle, Birgit; Mack, Christina; Bott, Michael; Armbruster, Wolfgang; Jendrossek, Dieter

2006-01-01

Geranyl-coenzyme A (CoA)-carboxylase (GCase; AtuC/AtuF) and methylcrotonyl-CoA-carboxylase (MCase; LiuB/LiuD) are characteristic enzymes of the catabolic pathway of acyclic terpenes (citronellol and geraniol) and of saturated methyl-branched compounds, such as leucine or isovalerate, respectively. Proteins encoded by two gene clusters (atuABCDEFGH and liuRABCDE) of Pseudomonas aeruginosa PAO1 were essential for acyclic terpene utilization (Atu) and for leucine and isovalerate utilization (Liu), respectively, as revealed by phenotype analysis of 10 insertion mutants, two-dimensional gel electrophoresis, determination of GCase and MCase activities, and Western blot analysis of wild-type and mutant strains. Analysis of the genome sequences of other pseudomonads (P. putida KT2440 and P. fluorescens Pf-5) revealed candidate genes for Liu proteins for both species and candidate genes for Atu proteins in P. fluorescens. This result concurred with the finding that P. fluorescens, but not P. putida, could grow on acyclic terpenes (citronellol and citronellate), while both species were able to utilize leucine and isovalerate. A regulatory gene, atuR, was identified upstream of atuABCDEFGH and negatively regulated expression of the atu gene cluster. PMID:16820476

Automatic Generation of Supervisory Control System Software Using Graph Composition

NASA Astrophysics Data System (ADS)

Nakata, Hideo; Sano, Tatsuro; Kojima, Taizo; Seo, Kazuo; Uchida, Tomoyuki; Nakamura, Yasuaki

This paper describes the automatic generation of system descriptions for SCADA (Supervisory Control And Data Acquisition) systems. The proposed method produces various types of data and programs for SCADA systems from equipment definitions using conversion rules. At first, this method makes directed graphs, which represent connections between the equipment, from equipment definitions. System descriptions are generated using the conversion rules, by analyzing these directed graphs, and finding the groups of equipment that involve similar operations. This method can make the conversion rules multi levels by using the composition of graphs, and can reduce the number of rules. The developer can define and manage these rules efficiently.

Transfer-Efficient Face Routing Using the Planar Graphs of Neighbors in High Density WSNs

PubMed Central

Kim, Sang-Ha

2017-01-01

Face routing has been adopted in wireless sensor networks (WSNs) where topological changes occur frequently or maintaining full network information is difficult. For message forwarding in networks, a planar graph is used to prevent looping, and because long edges are removed by planarization and the resulting planar graph is composed of short edges, and messages are forwarded along multiple nodes connected by them even though they can be forwarded directly. To solve this, face routing using information on all nodes within 2-hop range was adopted to forward messages directly to the farthest node within radio range. However, as the density of the nodes increases, network performance plunges because message transfer nodes receive and process increased node information. To deal with this problem, we propose a new face routing using the planar graphs of neighboring nodes to improve transfer efficiency. It forwards a message directly to the farthest neighbor and reduces loads and processing time by distributing network graph construction and planarization to the neighbors. It also decreases the amount of location information to be transmitted by sending information on the planar graph nodes rather than on all neighboring nodes. Simulation results show that it significantly improves transfer efficiency. PMID:29053623

Implementation of Departmental Quality Strategies Is Positively Associated with Clinical Practice: Results of a Multicenter Study in 73 Hospitals in 7 European Countries

PubMed Central

2015-01-01

Background Given the amount of time and resources invested in implementing quality programs in hospitals, few studies have investigated their clinical impact and what strategies could be recommended to enhance its effectiveness. Objective To assess variations in clinical practice and explore associations with hospital- and department-level quality management systems. Design Multicenter, multilevel cross-sectional study. Setting and Participants Seventy-three acute care hospitals with 276 departments managing acute myocardial infarction, deliveries, hip fracture, and stroke in seven countries. Intervention None. Measures Predictor variables included 3 hospital- and 4 department-level quality measures. Six measures were collected through direct observation by an external surveyor and one was assessed through a questionnaire completed by hospital quality managers. Dependent variables included 24 clinical practice indicators based on case note reviews covering the 4 conditions (acute myocardial infarction, deliveries, hip fracture and stroke). A directed acyclic graph was used to encode relationships between predictors, outcomes, and covariates and to guide the choice of covariates to control for confounding. Results and Limitations Data were provided on 9021 clinical records by 276 departments in 73 hospitals. There were substantial variations in compliance with the 24 clinical practice indicators. Weak associations were observed between hospital quality systems and 4 of the 24 indicators, but on analyzing department-level quality systems, strong associations were observed for 8 of the 11 indicators for acute myocardial infarction and stroke. Clinical indicators supported by higher levels of evidence were more frequently associated with quality systems and activities. Conclusions There are significant gaps between recommended standards of care and clinical practice in a large sample of hospitals. Implementation of department-level quality strategies was significantly associated with good clinical practice. Further research should aim to develop clinically relevant quality standards for hospital departments, which appear to be more effective than generic hospital-wide quality systems. PMID:26588842

Do sugar-sweetened beverages cause adverse health outcomes in adults? A systematic review protocol

PubMed Central

2014-01-01

Background Chronic diseases, such as cardiovascular disease and type 2 diabetes, impose significant burden to public health. Most chronic diseases are associated with underlying preventable risk factors, such as elevated blood pressure, blood glucose, and lipids, physical inactivity, excessive sedentary behaviours, overweight and obesity, and tobacco usage. Sugar-sweetened beverages are known to be significant sources of additional caloric intake, and given recent attention to their contribution in the development of chronic diseases, a systematic review is warranted. We will assess whether the consumption of sugar-sweetened beverages in adults is associated with adverse health outcomes and what the potential moderating factors are. Methods/Design Of interest are studies addressing sugar-sweetened beverage consumption, taking a broad perspective. Both direct consumption studies as well as those evaluating interventions that influence consumption (e.g. school policy, educational) will be relevant. Non-specific or multi-faceted behavioural, educational, or policy interventions may also be included subject to the level of evidence that exists for the other interventions/exposures. Comparisons of interest and endpoints of interest are pre-specified. We will include randomized controlled trials, controlled clinical trials, interrupted time series studies, controlled before-after studies, prospective and retrospective comparative cohort studies, case-control studies, and nested case-control designs. The MEDLINE®, Embase, The Cochrane Library, CINAHL, ERIC, and PsycINFO® databases and grey literature sources will be searched. The processes for selecting studies, abstracting data, and resolving conflicts are described. We will assess risk of bias using design-specific tools. To determine sets of confounding variables that should be adjusted for, we have developed causal directed acyclic graphs and will use those to inform our risk of bias assessments. Meta-analysis will be conducted where appropriate; parameters for exploring statistical heterogeneity and effect modifiers are pre-specified. The Grading of Recommendations Assessment, Development and Evaluation (GRADE) approach will be used for determining the quality of evidence for outcomes. Systematic review registration PROSPERO CRD42014009638 PMID:25248499

Do sugar-sweetened beverages cause adverse health outcomes in adults? A systematic review protocol.

PubMed

Hamel, Candyce; Stevens, Adrienne; Singh, Kavita; Ansari, Mohammed T; Myers, Esther; Ziegler, Paula; Hutton, Brian; Sharma, Arya; Bjerre, Lise M; Fenton, Shannon; Lau, David C W; O'Hara, Kathryn; Reid, Robert; Salewski, Erinn; Shrier, Ian; Willows, Noreen; Tremblay, Mark; Moher, David

2014-09-23

Chronic diseases, such as cardiovascular disease and type 2 diabetes, impose significant burden to public health. Most chronic diseases are associated with underlying preventable risk factors, such as elevated blood pressure, blood glucose, and lipids, physical inactivity, excessive sedentary behaviours, overweight and obesity, and tobacco usage. Sugar-sweetened beverages are known to be significant sources of additional caloric intake, and given recent attention to their contribution in the development of chronic diseases, a systematic review is warranted. We will assess whether the consumption of sugar-sweetened beverages in adults is associated with adverse health outcomes and what the potential moderating factors are. Of interest are studies addressing sugar-sweetened beverage consumption, taking a broad perspective. Both direct consumption studies as well as those evaluating interventions that influence consumption (e.g. school policy, educational) will be relevant. Non-specific or multi-faceted behavioural, educational, or policy interventions may also be included subject to the level of evidence that exists for the other interventions/exposures. Comparisons of interest and endpoints of interest are pre-specified. We will include randomized controlled trials, controlled clinical trials, interrupted time series studies, controlled before-after studies, prospective and retrospective comparative cohort studies, case-control studies, and nested case-control designs. The MEDLINE, Embase, The Cochrane Library, CINAHL, ERIC, and PsycINFO databases and grey literature sources will be searched. The processes for selecting studies, abstracting data, and resolving conflicts are described. We will assess risk of bias using design-specific tools. To determine sets of confounding variables that should be adjusted for, we have developed causal directed acyclic graphs and will use those to inform our risk of bias assessments. Meta-analysis will be conducted where appropriate; parameters for exploring statistical heterogeneity and effect modifiers are pre-specified. The Grading of Recommendations Assessment, Development and Evaluation (GRADE) approach will be used for determining the quality of evidence for outcomes. PROSPERO CRD42014009638.

Implementation of Departmental Quality Strategies Is Positively Associated with Clinical Practice: Results of a Multicenter Study in 73 Hospitals in 7 European Countries.

PubMed

Sunol, Rosa; Wagner, Cordula; Arah, Onyebuchi A; Kristensen, Solvejg; Pfaff, Holger; Klazinga, Niek; Thompson, Caroline A; Wang, Aolin; DerSarkissian, Maral; Bartels, Paul; Michel, Philippe; Groene, Oliver

2015-01-01

Given the amount of time and resources invested in implementing quality programs in hospitals, few studies have investigated their clinical impact and what strategies could be recommended to enhance its effectiveness. To assess variations in clinical practice and explore associations with hospital- and department-level quality management systems. Multicenter, multilevel cross-sectional study. Seventy-three acute care hospitals with 276 departments managing acute myocardial infarction, deliveries, hip fracture, and stroke in seven countries. None. Predictor variables included 3 hospital- and 4 department-level quality measures. Six measures were collected through direct observation by an external surveyor and one was assessed through a questionnaire completed by hospital quality managers. Dependent variables included 24 clinical practice indicators based on case note reviews covering the 4 conditions (acute myocardial infarction, deliveries, hip fracture and stroke). A directed acyclic graph was used to encode relationships between predictors, outcomes, and covariates and to guide the choice of covariates to control for confounding. Data were provided on 9021 clinical records by 276 departments in 73 hospitals. There were substantial variations in compliance with the 24 clinical practice indicators. Weak associations were observed between hospital quality systems and 4 of the 24 indicators, but on analyzing department-level quality systems, strong associations were observed for 8 of the 11 indicators for acute myocardial infarction and stroke. Clinical indicators supported by higher levels of evidence were more frequently associated with quality systems and activities. There are significant gaps between recommended standards of care and clinical practice in a large sample of hospitals. Implementation of department-level quality strategies was significantly associated with good clinical practice. Further research should aim to develop clinically relevant quality standards for hospital departments, which appear to be more effective than generic hospital-wide quality systems.

[Causal analysis approaches in epidemiology].

PubMed

Dumas, O; Siroux, V; Le Moual, N; Varraso, R

2014-02-01

Epidemiological research is mostly based on observational studies. Whether such studies can provide evidence of causation remains discussed. Several causal analysis methods have been developed in epidemiology. This paper aims at presenting an overview of these methods: graphical models, path analysis and its extensions, and models based on the counterfactual approach, with a special emphasis on marginal structural models. Graphical approaches have been developed to allow synthetic representations of supposed causal relationships in a given problem. They serve as qualitative support in the study of causal relationships. The sufficient-component cause model has been developed to deal with the issue of multicausality raised by the emergence of chronic multifactorial diseases. Directed acyclic graphs are mostly used as a visual tool to identify possible confounding sources in a study. Structural equations models, the main extension of path analysis, combine a system of equations and a path diagram, representing a set of possible causal relationships. They allow quantifying direct and indirect effects in a general model in which several relationships can be tested simultaneously. Dynamic path analysis further takes into account the role of time. The counterfactual approach defines causality by comparing the observed event and the counterfactual event (the event that would have been observed if, contrary to the fact, the subject had received a different exposure than the one he actually received). This theoretical approach has shown limits of traditional methods to address some causality questions. In particular, in longitudinal studies, when there is time-varying confounding, classical methods (regressions) may be biased. Marginal structural models have been developed to address this issue. In conclusion, "causal models", though they were developed partly independently, are based on equivalent logical foundations. A crucial step in the application of these models is the formulation of causal hypotheses, which will be a basis for all methodological choices. Beyond this step, statistical analysis tools recently developed offer new possibilities to delineate complex relationships, in particular in life course epidemiology. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

Uncertainty Quantification of Hypothesis Testing for the Integrated Knowledge Engine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cuellar, Leticia

2012-05-31

The Integrated Knowledge Engine (IKE) is a tool of Bayesian analysis, based on Bayesian Belief Networks or Bayesian networks for short. A Bayesian network is a graphical model (directed acyclic graph) that allows representing the probabilistic structure of many variables assuming a localized type of dependency called the Markov property. The Markov property in this instance makes any node or random variable to be independent of any non-descendant node given information about its parent. A direct consequence of this property is that it is relatively easy to incorporate new evidence and derive the appropriate consequences, which in general is notmore » an easy or feasible task. Typically we use Bayesian networks as predictive models for a small subset of the variables, either the leave nodes or the root nodes. In IKE, since most applications deal with diagnostics, we are interested in predicting the likelihood of the root nodes given new observations on any of the children nodes. The root nodes represent the various possible outcomes of the analysis, and an important problem is to determine when we have gathered enough evidence to lean toward one of these particular outcomes. This document presents criteria to decide when the evidence gathered is sufficient to draw a particular conclusion or decide in favor of a particular outcome by quantifying the uncertainty in the conclusions that are drawn from the data. The material in this document is organized as follows: Section 2 presents briefly a forensics Bayesian network, and we explore evaluating the information provided by new evidence by looking first at the posterior distribution of the nodes of interest, and then at the corresponding posterior odds ratios. Section 3 presents a third alternative: Bayes Factors. In section 4 we finalize by showing the relation between the posterior odds ratios and Bayes factors and showing examples these cases, and in section 5 we conclude by providing clear guidelines of how to use these for the type of Bayesian networks used in IKE.« less

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

NASA Astrophysics Data System (ADS)

Abou-Hussein, Azza A. A.; Linert, Wolfgang

Mono- and bi-nuclear acyclic and macrocyclic complexes with hard-soft Schiff base, H2L, ligand derived from the reaction of 4,6-diacetylresorcinol and thiocabohydrazide, in the molar ratio 1:2 have been prepared. The H2L ligand reacts with Co(II), Ni(II), Cu(II), Zn(II), Mn(II) and UO2(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, H2L, 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 N2S2 donor atoms. The ligands and the metal complexes were characterized by elemental analysis, IR, UV-vis 1H-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 mild antibacterial and antifungal activities against these organisms.

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

PubMed

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 mild antibacterial and antifungal activities against these organisms. Copyright © 2012 Elsevier B.V. All rights reserved.

Empirical Determination of Pattern Match Confidence in Labeled Graphs

DTIC Science & Technology

2014-02-07

were explored; Erdős–Rényi [6] random graphs, Barabási–Albert preferential attachment graphs [2], and Watts– Strogatz [18] small world graphs. The ER...B. Erdos - Renyi Barabasi - Albert Gr ap h Ty pe Strogatz - Watts Direct Within 2 nodes Within 4 nodes Search Limit 1 10 100 1000 10000 100000 100...Barabási–Albert (BA, crosses) and Watts– Strogatz (WS, trian- gles) graphs were generated with sizes ranging from 50 to 2500 nodes, and labeled

Searches over graphs representing geospatial-temporal remote sensing data

DOEpatents

Brost, Randolph; Perkins, David Nikolaus

2018-03-06

Various technologies pertaining to identifying objects of interest in remote sensing images by searching over geospatial-temporal graph representations are described herein. Graphs are constructed by representing objects in remote sensing images as nodes, and connecting nodes with undirected edges representing either distance or adjacency relationships between objects and directed edges representing changes in time. Geospatial-temporal graph searches are made computationally efficient by taking advantage of characteristics of geospatial-temporal data in remote sensing images through the application of various graph search techniques.

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

PubMed

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.

Results of a second survey to assess the reproductive status of female Asian and African elephants in North America.

PubMed

Proctor, Christine M; Freeman, Elizabeth W; Brown, Janine L

2010-01-01

Surveys are being conducted to monitor the reproductive health of elephants managed by the TAG/SSP. This study summarizes results of a 2005 survey and compares data to one conducted in 2002. Surveys were returned for 100% and 79.0% of Asian and African elephants, respectively. Of those, 79.3% of Asian and 92.1% of African elephants had weekly progestagen data to assess ovarian cyclicity. For Asian elephants, acyclicity rates were similar between the 2002 and 2005 surveys (13.3% versus 10.9%), whereas irregular cycling increased in 2005 (2.6% versus 7.6%), respectively. For African elephants, the percentages of both acyclicity (22.0% versus 31.2%) and irregular cycling females (5.2% versus 11.8%) increased. In both species, ovarian inactivity was more prevalent in the older age categories (>30 years of age), but for African elephants also occurred in the reproductive aged groups. Reproductive tract pathologies did not account for the majority of acyclicity problems. Several females changed cyclicity status between the two surveys, including from noncycling to cycling, suggesting this is not an irreversible condition. However, seven African females went from cycling to abnormal or no cyclic activity. In summary, the incidence of ovarian acyclicity in Asian elephants is low and stable, but appears to be increasing in African females. These findings reinforce the need for long-term reproductive monitoring programs and continuous reproductive surveys, even for females not being considered for breeding. With more data we hope to determine what factors are related to changes in ovarian status and how to reverse the trend towards acyclicity.

Bounded-Degree Approximations of Stochastic Networks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Quinn, Christopher J.; Pinar, Ali; Kiyavash, Negar

2017-06-01

We propose algorithms to approximate directed information graphs. Directed information graphs are probabilistic graphical models that depict causal dependencies between stochastic processes in a network. The proposed algorithms identify optimal and near-optimal approximations in terms of Kullback-Leibler divergence. The user-chosen sparsity trades off the quality of the approximation against visual conciseness and computational tractability. One class of approximations contains graphs with speci ed in-degrees. Another class additionally requires that the graph is connected. For both classes, we propose algorithms to identify the optimal approximations and also near-optimal approximations, using a novel relaxation of submodularity. We also propose algorithms to identifymore » the r-best approximations among these classes, enabling robust decision making.« less

Observer-based consensus of networked thrust-propelled vehicles with directed graphs.

PubMed

Cang, Weiye; Li, Zhongkui; Wang, Hanlei

2017-11-01

In this paper, we investigate the consensus problem for networked underactuated thrust-propelled vehicles (TPVs) interacting on directed graphs. We propose distributed observer-based consensus protocols, which avoid the reliance on the measurements of translational velocities and accelerations. Using the input-output analysis, we present necessary and sufficient conditions to ensure that the observer-based protocols can achieve consensus for both the cases without and with constant communication delays, provided that the communication graph contains a directed spanning tree. Simulation examples are finally provided to illustrate the effectiveness of the control schemes. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

A combination of directing groups and chiral anion phase-transfer catalysis for enantioselective fluorination of alkenes

PubMed Central

Wu, Jeffrey; Wang, Yi-Ming; Drljevic, Amela; Rauniyar, Vivek; Phipps, Robert J.; Toste, F. Dean

2013-01-01

We report a catalytic enantioselective electrophilic fluorination of alkenes to form tertiary and quaternary C(sp3)-F bonds and generate β-amino- and β-aryl-allylic fluorides. The reaction takes advantage of the ability of chiral phosphate anions to serve as solid–liquid phase transfer catalysts and hydrogen bond with directing groups on the substrate. A variety of heterocyclic, carbocyclic, and acyclic alkenes react with good to excellent yields and high enantioselectivities. Further, we demonstrate a one-pot, tandem dihalogenation–cyclization reaction, using the same catalytic system twice in series, with an analogous electrophilic brominating reagent in the second step. PMID:23922394

A new approach to explore the binding space of polysaccharide-based ligands: selectin antagonists.

PubMed

Calosso, Mickael; Charpentier, Daniel; Vaillancourt, Marc; Bencheqroun, Mohammed; St-Pierre, Gabrielle; Wilkes, Brian C; Guindon, Yvan

2012-12-13

The discovery of molecules that interfere with the binding of a ligand to a receptor remains a topic of great interest in medicinal chemistry. Herein, we report that a monosaccharide unit of a polysaccharide ligand can be replaced advantageously by a conformationally locked acyclic molecular entity. A cyclic component of the selectin ligand Sialyl Lewis(x), GlcNAc, is replaced by an acyclic tether, tartaric esters, which link two saccharide units. The conformational bias of this acyclic tether originates from the minimization of intramolecular dipole-dipole interaction and the gauche effect. The evaluation of the binding of these derivatives to P-selectin was measured by surface plasmon resonance spectroscopy. The results obtained in our pilot study suggest that the discovery of tunable tethers could facilitate the exploration of the carbohydrate recognition domain of various receptors.

A One-Pot Tandem Strategy in Catalytic Asymmetric Vinylogous Aldol Reaction of Homoallylic Alcohols.

PubMed

Hou, Xufeng; Jing, Zhenzhong; Bai, Xiangbin; Jiang, Zhiyong

2016-06-27

Reported is a rationally-designed one-pot sequential strategy that allows homoallylic alcohols to be employed in a catalytic, asymmetric, direct vinylogous aldol reaction with a series of activated acyclic ketones, including trifluoromethyl ketones, γ-ketoesters, and α-keto phosphonates, in high yields (up to 95%) with excellent regio- and enantio-selectivity (up to 99% ee). This modular combination, including Jones oxidation and asymmetric organocatalysis, has satisfactory compatibility and reliability even at a 20 mmol scale, albeit without intermediary purification.

Graph embedding and extensions: a general framework for dimensionality reduction.

PubMed

Yan, Shuicheng; Xu, Dong; Zhang, Benyu; Zhang, Hong-Jiang; Yang, Qiang; Lin, Stephen

2007-01-01

Over the past few decades, a large family of algorithms - supervised or unsupervised; stemming from statistics or geometry theory - has been designed to provide different solutions to the problem of dimensionality reduction. Despite the different motivations of these algorithms, we present in this paper a general formulation known as graph embedding to unify them within a common framework. In graph embedding, each algorithm can be considered as the direct graph embedding or its linear/kernel/tensor extension of a specific intrinsic graph that describes certain desired statistical or geometric properties of a data set, with constraints from scale normalization or a penalty graph that characterizes a statistical or geometric property that should be avoided. Furthermore, the graph embedding framework can be used as a general platform for developing new dimensionality reduction algorithms. By utilizing this framework as a tool, we propose a new supervised dimensionality reduction algorithm called Marginal Fisher Analysis in which the intrinsic graph characterizes the intraclass compactness and connects each data point with its neighboring points of the same class, while the penalty graph connects the marginal points and characterizes the interclass separability. We show that MFA effectively overcomes the limitations of the traditional Linear Discriminant Analysis algorithm due to data distribution assumptions and available projection directions. Real face recognition experiments show the superiority of our proposed MFA in comparison to LDA, also for corresponding kernel and tensor extensions.

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

PubMed

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.

Potential Use of a Bayesian Network for Discriminating Flash Type from Future GOES-R Geostationary Lightning Mapper (GLM) data

NASA Technical Reports Server (NTRS)

Solakiewiz, Richard; Koshak, William

2008-01-01

Continuous monitoring of the ratio of cloud flashes to ground flashes may provide a better understanding of thunderstorm dynamics, intensification, and evolution, and it may be useful in severe weather warning. The National Lighting Detection Network TM (NLDN) senses ground flashes with exceptional detection efficiency and accuracy over most of the continental United States. A proposed Geostationary Lightning Mapper (GLM) aboard the Geostationary Operational Environmental Satellite (GOES-R) will look at the western hemisphere, and among the lightning data products to be made available will be the fundamental optical flash parameters for both cloud and ground flashes: radiance, area, duration, number of optical groups, and number of optical events. Previous studies have demonstrated that the optical flash parameter statistics of ground and cloud lightning, which are observable from space, are significantly different. This study investigates a Bayesian network methodology for discriminating lightning flash type (ground or cloud) using the lightning optical data and ancillary GOES-R data. A Directed Acyclic Graph (DAG) is set up with lightning as a "root" and data observed by GLM as the "leaves." This allows for a direct calculation of the joint probability distribution function for the lighting type and radiance, area, etc. Initially, the conditional probabilities that will be required can be estimated from the Lightning Imaging Sensor (LIS) and the Optical Transient Detector (OTD) together with NLDN data. Directly manipulating the joint distribution will yield the conditional probability that a lightning flash is a ground flash given the evidence, which consists of the observed lightning optical data [and possibly cloud data retrieved from the GOES-R Advanced Baseline Imager (ABI) in a more mature Bayesian network configuration]. Later, actual GLM and NLDN data can be used to refine the estimates of the conditional probabilities used in the model; i.e., the Bayesian network is a learning network. Methods for efficient calculation of the conditional probabilities (e.g., an algorithm using junction trees), finding data conflicts, goodness of fit, and dealing with missing data will also be addressed.

The Human EST Ontology Explorer: a tissue-oriented visualization system for ontologies distribution in human EST collections.

PubMed

Merelli, Ivan; Caprera, Andrea; Stella, Alessandra; Del Corvo, Marcello; Milanesi, Luciano; Lazzari, Barbara

2009-10-15

The NCBI dbEST currently contains more than eight million human Expressed Sequenced Tags (ESTs). This wide collection represents an important source of information for gene expression studies, provided it can be inspected according to biologically relevant criteria. EST data can be browsed using different dedicated web resources, which allow to investigate library specific gene expression levels and to make comparisons among libraries, highlighting significant differences in gene expression. Nonetheless, no tool is available to examine distributions of quantitative EST collections in Gene Ontology (GO) categories, nor to retrieve information concerning library-dependent EST involvement in metabolic pathways. In this work we present the Human EST Ontology Explorer (HEOE) http://www.itb.cnr.it/ptp/human_est_explorer, a web facility for comparison of expression levels among libraries from several healthy and diseased tissues. The HEOE provides library-dependent statistics on the distribution of sequences in the GO Direct Acyclic Graph (DAG) that can be browsed at each GO hierarchical level. The tool is based on large-scale BLAST annotation of EST sequences. Due to the huge number of input sequences, this BLAST analysis was performed with the aid of grid computing technology, which is particularly suitable to address data parallel task. Relying on the achieved annotation, library-specific distributions of ESTs in the GO Graph were inferred. A pathway-based search interface was also implemented, for a quick evaluation of the representation of libraries in metabolic pathways. EST processing steps were integrated in a semi-automatic procedure that relies on Perl scripts and stores results in a MySQL database. A PHP-based web interface offers the possibility to simultaneously visualize, retrieve and compare data from the different libraries. Statistically significant differences in GO categories among user selected libraries can also be computed. The HEOE provides an alternative and complementary way to inspect EST expression levels with respect to approaches currently offered by other resources. Furthermore, BLAST computation on the whole human EST dataset was a suitable test of grid scalability in the context of large-scale bioinformatics analysis. The HEOE currently comprises sequence analysis from 70 non-normalized libraries, representing a comprehensive overview on healthy and unhealthy tissues. As the analysis procedure can be easily applied to other libraries, the number of represented tissues is intended to increase.

Directed network modules

NASA Astrophysics Data System (ADS)

Palla, Gergely; Farkas, Illés J.; Pollner, Péter; Derényi, Imre; Vicsek, Tamás

2007-06-01

A search technique locating network modules, i.e. internally densely connected groups of nodes in directed networks is introduced by extending the clique percolation method originally proposed for undirected networks. After giving a suitable definition for directed modules we investigate their percolation transition in the Erdos-Rényi graph both analytically and numerically. We also analyse four real-world directed networks, including Google's own web-pages, an email network, a word association graph and the transcriptional regulatory network of the yeast Saccharomyces cerevisiae. The obtained directed modules are validated by additional information available for the nodes. We find that directed modules of real-world graphs inherently overlap and the investigated networks can be classified into two major groups in terms of the overlaps between the modules. Accordingly, in the word-association network and Google's web-pages, overlaps are likely to contain in-hubs, whereas the modules in the email and transcriptional regulatory network tend to overlap via out-hubs.

Predicting miRNA targets for head and neck squamous cell carcinoma using an ensemble method.

PubMed

Gao, Hong; Jin, Hui; Li, Guijun

2018-01-01

This study aimed to uncover potential microRNA (miRNA) targets in head and neck squamous cell carcinoma (HNSCC) using an ensemble method which combined 3 different methods: Pearson's correlation coefficient (PCC), Lasso and a causal inference method (i.e., intervention calculus when the directed acyclic graph (DAG) is absent [IDA]), based on Borda count election. The Borda count election method was used to integrate the top 100 predicted targets of each miRNA generated by individual methods. Afterwards, to validate the performance ability of our method, we checked the TarBase v6.0, miRecords v2013, miRWalk v2.0 and miRTarBase v4.5 databases to validate predictions for miRNAs. Pathway enrichment analysis of target genes in the top 1,000 miRNA-messenger RNA (mRNA) interactions was conducted to focus on significant KEGG pathways. Finally, we extracted target genes based on occurrence frequency ≥3. Based on an absolute value of PCC >0.7, we found 33 miRNAs and 288 mRNAs for further analysis. We extracted 10 target genes with predicted frequencies not less than 3. The target gene MYO5C possessed the highest frequency, which was predicted by 7 different miRNAs. Significantly, a total of 8 pathways were identified; the pathways of cytokine-cytokine receptor interaction and chemokine signaling pathway were the most significant. We successfully predicted target genes and pathways for HNSCC relying on miRNA expression data, mRNA expression profile, an ensemble method and pathway information. Our results may offer new information for the diagnosis and estimation of the prognosis of HNSCC.

Bayesian Estimation and Inference Using Stochastic Electronics

PubMed Central

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. PMID:27047326

The tale wagged by the DAG: broadening the scope of causal inference and explanation for epidemiology.

PubMed

Krieger, Nancy; Davey Smith, George

2016-12-01

'Causal inference', in 21st century epidemiology, has notably come to stand for a specific approach, one focused primarily on counterfactual and potential outcome reasoning and using particular representations, such as directed acyclic graphs (DAGs) and Bayesian causal nets. In this essay, we suggest that in epidemiology no one causal approach should drive the questions asked or delimit what counts as useful evidence. Robust causal inference instead comprises a complex narrative, created by scientists appraising, from diverse perspectives, different strands of evidence produced by myriad methods. DAGs can of course be useful, but should not alone wag the causal tale. To make our case, we first address key conceptual issues, after which we offer several concrete examples illustrating how the newly favoured methods, despite their strengths, can also: (i) limit who and what may be deemed a 'cause', thereby narrowing the scope of the field; and (ii) lead to erroneous causal inference, especially if key biological and social assumptions about parameters are poorly conceived, thereby potentially causing harm. As an alternative, we propose that the field of epidemiology consider judicious use of the broad and flexible framework of 'inference to the best explanation', an approach perhaps best developed by Peter Lipton, a philosopher of science who frequently employed epidemiologically relevant examples. This stance requires not only that we be open to being pluralists about both causation and evidence but also that we rise to the challenge of forging explanations that, in Lipton's words, aspire to 'scope, precision, mechanism, unification and simplicity'. © The Author 2016; all rights reserved. Published by Oxford University Press on behalf of the International Epidemiological Association.

Environmental Chemicals in Urine and Blood: Improving Methods for Creatinine and Lipid Adjustment

PubMed Central

O’Brien, Katie M.; Upson, Kristen; Cook, Nancy R.; Weinberg, Clarice R.

2015-01-01

Background Investigators measuring exposure biomarkers in urine typically adjust for creatinine to account for dilution-dependent sample variation in urine concentrations. Similarly, it is standard to adjust for serum lipids when measuring lipophilic chemicals in serum. However, there is controversy regarding the best approach, and existing methods may not effectively correct for measurement error. Objectives We compared adjustment methods, including novel approaches, using simulated case–control data. Methods Using a directed acyclic graph framework, we defined six causal scenarios for epidemiologic studies of environmental chemicals measured in urine or serum. The scenarios include variables known to influence creatinine (e.g., age and hydration) or serum lipid levels (e.g., body mass index and recent fat intake). Over a range of true effect sizes, we analyzed each scenario using seven adjustment approaches and estimated the corresponding bias and confidence interval coverage across 1,000 simulated studies. Results For urinary biomarker measurements, our novel method, which incorporates both covariate-adjusted standardization and the inclusion of creatinine as a covariate in the regression model, had low bias and possessed 95% confidence interval coverage of nearly 95% for most simulated scenarios. For serum biomarker measurements, a similar approach involving standardization plus serum lipid level adjustment generally performed well. Conclusions To control measurement error bias caused by variations in serum lipids or by urinary diluteness, we recommend improved methods for standardizing exposure concentrations across individuals. Citation O’Brien KM, Upson K, Cook NR, Weinberg CR. 2016. Environmental chemicals in urine and blood: improving methods for creatinine and lipid adjustment. Environ Health Perspect 124:220–227; http://dx.doi.org/10.1289/ehp.1509693 PMID:26219104

The current deconstruction of paradoxes: one sign of the ongoing methodological "revolution".

PubMed

Porta, Miquel; Vineis, Paolo; Bolúmar, Francisco

2015-10-01

The current deconstruction of paradoxes is one among several signs that a profound renewal of methods for clinical and epidemiological research is taking place; perhaps for some basic life sciences as well. The new methodological approaches have already deconstructed and explained long puzzling apparent paradoxes, including the (non-existent) benefits of obesity in diabetics, or of smoking in low birth weight. Achievements of the new methods also comprise the elucidation of the causal structure of long-disputed and highly complex questions, as Berkson's bias and Simpson's paradox, and clarifying reasons for deep controversies, as those on estrogens and endometrial cancer, or on adverse effects of hormone replacement therapy. These are signs that the new methods can go deeper and beyond the methods in current use. A major example of a highly relevant idea is: when we condition on a common effect of a pair of variables, then a spurious association between such pair is likely. The implications of these ideas are potentially vast. A substantial number of apparent paradoxes may simply be the result of collider biases, a source of selection bias that is common not just in epidemiologic research, but in many types of research in the health, life, and social sciences. The new approaches develop a new framework of concepts and methods, as collider, instrumental variables, d-separation, backdoor path and, notably, Directed Acyclic Graphs (DAGs). The current theoretical and methodological renewal-or, perhaps, "revolution"-may be changing deeply how clinical and epidemiological research is conceived and performed, how we assess the validity and relevance of findings, and how causal inferences are made. Clinical and basic researchers, among others, should get acquainted with DAGs and related concepts.

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

NASA Astrophysics Data System (ADS)

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.

The natural history of molecular functions inferred from an extensive phylogenomic analysis of gene ontology data

PubMed Central

Koç, Ibrahim; Caetano-Anollés, Gustavo

2017-01-01

The origin and natural history of molecular functions hold the key to the emergence of cellular organization and modern biochemistry. Here we use a genomic census of Gene Ontology (GO) terms to reconstruct phylogenies at the three highest (1, 2 and 3) and the lowest (terminal) levels of the hierarchy of molecular functions, which reflect the broadest and the most specific GO definitions, respectively. These phylogenies define evolutionary timelines of functional innovation. We analyzed 249 free-living organisms comprising the three superkingdoms of life, Archaea, Bacteria, and Eukarya. Phylogenies indicate catalytic, binding and transport functions were the oldest, suggesting a ‘metabolism-first’ origin scenario for biochemistry. Metabolism made use of increasingly complicated organic chemistry. Primordial features of ancient molecular functions and functional recruitments were further distilled by studying the oldest child terms of the oldest level 1 GO definitions. Network analyses showed the existence of an hourglass pattern of enzyme recruitment in the molecular functions of the directed acyclic graph of molecular functions. Older high-level molecular functions were thoroughly recruited at younger lower levels, while very young high-level functions were used throughout the timeline. This pattern repeated in every one of the three mappings, which gave a criss-cross pattern. The timelines and their mappings were remarkable. They revealed the progressive evolutionary development of functional toolkits, starting with the early rise of metabolic activities, followed chronologically by the rise of macromolecular biosynthesis, the establishment of controlled interactions with the environment and self, adaptation to oxygen, and enzyme coordinated regulation, and ending with the rise of structural and cellular complexity. This historical account holds important clues for dissection of the emergence of biomcomplexity and life. PMID:28467492

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

NASA Astrophysics Data System (ADS)

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%.

A lightweight, flow-based toolkit for parallel and distributed bioinformatics pipelines

PubMed Central

2011-01-01

Background Bioinformatic analyses typically proceed as chains of data-processing tasks. A pipeline, or 'workflow', is a well-defined protocol, with a specific structure defined by the topology of data-flow interdependencies, and a particular functionality arising from the data transformations applied at each step. In computer science, the dataflow programming (DFP) paradigm defines software systems constructed in this manner, as networks of message-passing components. Thus, bioinformatic workflows can be naturally mapped onto DFP concepts. Results To enable the flexible creation and execution of bioinformatics dataflows, we have written a modular framework for parallel pipelines in Python ('PaPy'). A PaPy workflow is created from re-usable components connected by data-pipes into a directed acyclic graph, which together define nested higher-order map functions. The successive functional transformations of input data are evaluated on flexibly pooled compute resources, either local or remote. Input items are processed in batches of adjustable size, all flowing one to tune the trade-off between parallelism and lazy-evaluation (memory consumption). An add-on module ('NuBio') facilitates the creation of bioinformatics workflows by providing domain specific data-containers (e.g., for biomolecular sequences, alignments, structures) and functionality (e.g., to parse/write standard file formats). Conclusions PaPy offers a modular framework for the creation and deployment of parallel and distributed data-processing workflows. Pipelines derive their functionality from user-written, data-coupled components, so PaPy also can be viewed as a lightweight toolkit for extensible, flow-based bioinformatics data-processing. The simplicity and flexibility of distributed PaPy pipelines may help users bridge the gap between traditional desktop/workstation and grid computing. PaPy is freely distributed as open-source Python code at http://muralab.org/PaPy, and includes extensive documentation and annotated usage examples. PMID:21352538

Higher Chlamydia trachomatis prevalence in ethnic minorities does not always reflect higher sexual risk behaviour.

PubMed

Matser, Amy; Luu, Nancy; Geskus, Ronald; Heijman, Titia; Heiligenberg, Marlies; van Veen, Maaike; Schim van der Loeff, Maarten

2013-01-01

In affluent countries, the prevalence of Chlamydia trachomatis (CT) is often higher in certain ethnic minorities than in the majority population. In The Netherlands, we examined why CT prevalence is higher in Surinamese/Antilleans, the largest minority in the country. Heterosexuals were recruited for a cross-sectional survey from May through August 2010 at the sexually transmitted infections (STI) clinic in Amsterdam. Participants completed a questionnaire and were tested for STI. A causal directed acyclic graph was assumed to investigate whether the association between ethnicity and CT could be explained by differences in sexual risk behaviour and socio-economic status. Subjects included 1044 with Dutch background and 335 with Surinamese/Antillean background. Median age for the combined population was 25 (IQR 22-30) years, and 55.4% was female. Sexual risk behaviour did not differ significantly between the two groups. CT was diagnosed in 17.9% of Surinamese/Antilleans and in 11.4% of Dutch. Surinamese/Antilleans were significantly more likely to have CT (OR 1.70; 95% CI 1.21-2.38). The association between ethnicity and CT remained statistically significant after adjusting for sexual risk behaviour, age, sex, and ethnic mixing (aOR 1.48; 95% CI 1.00-2.18), but not after adjusting for education and neighbourhood, markers of socio-economic status (aOR 1.08; 95% CI 0.71-1.64). The difference in CT prevalence between the minority and majority groups was not explained by differences in sexual risk behaviour. The higher CT prevalence found among Surinamese/Antilleans appeared to reflect their lower educational level and neighbourhood, two markers of lower socio-economic status. We hypothesise that the effect results from lower health-seeking behaviour.

A lightweight, flow-based toolkit for parallel and distributed bioinformatics pipelines.

PubMed

Cieślik, Marcin; Mura, Cameron

2011-02-25

Bioinformatic analyses typically proceed as chains of data-processing tasks. A pipeline, or 'workflow', is a well-defined protocol, with a specific structure defined by the topology of data-flow interdependencies, and a particular functionality arising from the data transformations applied at each step. In computer science, the dataflow programming (DFP) paradigm defines software systems constructed in this manner, as networks of message-passing components. Thus, bioinformatic workflows can be naturally mapped onto DFP concepts. To enable the flexible creation and execution of bioinformatics dataflows, we have written a modular framework for parallel pipelines in Python ('PaPy'). A PaPy workflow is created from re-usable components connected by data-pipes into a directed acyclic graph, which together define nested higher-order map functions. The successive functional transformations of input data are evaluated on flexibly pooled compute resources, either local or remote. Input items are processed in batches of adjustable size, all flowing one to tune the trade-off between parallelism and lazy-evaluation (memory consumption). An add-on module ('NuBio') facilitates the creation of bioinformatics workflows by providing domain specific data-containers (e.g., for biomolecular sequences, alignments, structures) and functionality (e.g., to parse/write standard file formats). PaPy offers a modular framework for the creation and deployment of parallel and distributed data-processing workflows. Pipelines derive their functionality from user-written, data-coupled components, so PaPy also can be viewed as a lightweight toolkit for extensible, flow-based bioinformatics data-processing. The simplicity and flexibility of distributed PaPy pipelines may help users bridge the gap between traditional desktop/workstation and grid computing. PaPy is freely distributed as open-source Python code at http://muralab.org/PaPy, and includes extensive documentation and annotated usage examples.

Association between urbanisation and type 2 diabetes: an ecological study

PubMed Central

Gassasse, Zakariah; Smith, Dianna; Finer, Sarah

2017-01-01

Introduction Previous studies have explored the effect of urbanisation on the prevalence of type 2 diabetes (T2D) at regional/national level. The aim of this study is to investigate the association between urbanisation and T2D at country level, worldwide, and to explore the role of intermediate variables (physical inactivity, sugar consumption and obesity). The potential effect modification of gross domestic product (GDP) was also assessed. Methods Data for 207 countries were collected from accessible datasets. Direct acyclic graphs were used to describe the association between urbanisation, T2D and their intermediate variables (physical inactivity, sugar consumption and obesity). Urbanisation was measured as urban percentage (UP) and as agglomeration index (AI). Crude and multivariate linear regression analyses were conducted to explore selected associations. The interaction between urbanisation and T2D across levels of GDP per capita was investigated. Results The association between urbanisation and T2D diverged by exposure: AI was positively associated, while UP negatively associated with T2D prevalence. Physical inactivity and obesity were statistically significantly associated with increased prevalence of T2D. In middle-income countries (MIC) UP, AI and GDP were significantly associated with T2D prevalence, while in high-income countries (HIC), physical inactivity and obesity were the main determinant of T2D prevalence. Conclusions The type of urban growth, not urbanisation per se, predicted T2D prevalence at country level. In MIC, population density and GDP were the main determinant of diabetes, while in HIC. these were physical inactivity and obesity. Globalisation is playing an important role in the rise of T2D worldwide. PMID:29104770

ASC-ATDM Performance Portability Requirements for 2015-2019

DOE Office of Scientific and Technical Information (OSTI.GOV)

Edwards, Harold C.; Trott, Christian Robert

This report outlines the research, development, and support requirements for the Advanced Simulation and Computing (ASC ) Advanced Technology, Development, and Mitigation (ATDM) Performance Portability (a.k.a., Kokkos) project for 2015 - 2019 . The research and development (R&D) goal for Kokkos (v2) has been to create and demonstrate a thread - parallel programming model a nd standard C++ library - based implementation that enables performance portability across diverse manycore architectures such as multicore CPU, Intel Xeon Phi, and NVIDIA Kepler GPU. This R&D goal has been achieved for algorithms that use data parallel pat terns including parallel - for, parallelmore » - reduce, and parallel - scan. Current R&D is focusing on hierarchical parallel patterns such as a directed acyclic graph (DAG) of asynchronous tasks where each task contain s nested data parallel algorithms. This five y ear plan includes R&D required to f ully and performance portably exploit thread parallelism across current and anticipated next generation platforms (NGP). The Kokkos library is being evaluated by many projects exploring algorithm s and code design for NGP. Some production libraries and applications such as Trilinos and LAMMPS have already committed to Kokkos as their foundation for manycore parallelism an d performance portability. These five year requirements includes support required for current and antic ipated ASC projects to be effective and productive in their use of Kokkos on NGP. The greatest risk to the success of Kokkos and ASC projects relying upon Kokkos is a lack of staffing resources to support Kokkos to the degree needed by these ASC projects. This support includes up - to - date tutorials, documentation, multi - platform (hardware and software stack) testing, minor feature enhancements, thread - scalable algorithm consulting, and managing collaborative R&D.« less

Bayesian Estimation and Inference Using Stochastic Electronics.

PubMed

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.

Topic Model for Graph Mining.

PubMed

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.

Learning a Health Knowledge Graph from Electronic Medical Records.

PubMed

Rotmensch, Maya; Halpern, Yoni; Tlimat, Abdulhakim; Horng, Steven; Sontag, David

2017-07-20

Demand for clinical decision support systems in medicine and self-diagnostic symptom checkers has substantially increased in recent years. Existing platforms rely on knowledge bases manually compiled through a labor-intensive process or automatically derived using simple pairwise statistics. This study explored an automated process to learn high quality knowledge bases linking diseases and symptoms directly from electronic medical records. Medical concepts were extracted from 273,174 de-identified patient records and maximum likelihood estimation of three probabilistic models was used to automatically construct knowledge graphs: logistic regression, naive Bayes classifier and a Bayesian network using noisy OR gates. A graph of disease-symptom relationships was elicited from the learned parameters and the constructed knowledge graphs were evaluated and validated, with permission, against Google's manually-constructed knowledge graph and against expert physician opinions. Our study shows that direct and automated construction of high quality health knowledge graphs from medical records using rudimentary concept extraction is feasible. The noisy OR model produces a high quality knowledge graph reaching precision of 0.85 for a recall of 0.6 in the clinical evaluation. Noisy OR significantly outperforms all tested models across evaluation frameworks (p < 0.01).

Bounds for percolation thresholds on directed and undirected graphs

NASA Astrophysics Data System (ADS)

Hamilton, Kathleen; Pryadko, Leonid

2015-03-01

Percolation theory is an efficient approach to problems with strong disorder, e.g., in quantum or classical transport, composite materials, and diluted magnets. Recently, the growing role of big data in scientific and industrial applications has led to a renewed interest in graph theory as a tool for describing complex connections in various kinds of networks: social, biological, technological, etc. In particular, percolation on graphs has been used to describe internet stability, spread of contagious diseases and computer viruses; related models describe market crashes and viral spread in social networks. We consider site-dependent percolation on directed and undirected graphs, and present several exact bounds for location of the percolation transition in terms of the eigenvalues of matrices associated with graphs, including the adjacency matrix and the Hashimoto matrix used to enumerate non-backtracking walks. These bounds correspond t0 a mean field approximation and become asymptotically exact for graphs with no short cycles. We illustrate this convergence numerically by simulating percolation on several families of graphs with different cycle lengths. This research was supported in part by the NSF Grant PHY-1416578 and by the ARO Grant W911NF-11-1-0027.

Representation of activity in images using geospatial temporal graphs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brost, Randolph; McLendon, III, William C.; Parekh, Ojas D.

Various technologies pertaining to modeling patterns of activity observed in remote sensing images using geospatial-temporal graphs are described herein. Graphs are constructed by representing objects in remote sensing images as nodes, and connecting nodes with undirected edges representing either distance or adjacency relationships between objects and directed edges representing changes in time. Activity patterns may be discerned from the graphs by coding nodes representing persistent objects like buildings differently from nodes representing ephemeral objects like vehicles, and examining the geospatial-temporal relationships of ephemeral nodes within the graph.

Graph Kernels for Molecular Similarity.

PubMed

Rupp, Matthias; Schneider, Gisbert

2010-04-12

Molecular similarity measures are important for many cheminformatics applications like ligand-based virtual screening and quantitative structure-property relationships. Graph kernels are formal similarity measures defined directly on graphs, such as the (annotated) molecular structure graph. Graph kernels are positive semi-definite functions, i.e., they correspond to inner products. This property makes them suitable for use with kernel-based machine learning algorithms such as support vector machines and Gaussian processes. We review the major types of kernels between graphs (based on random walks, subgraphs, and optimal assignments, respectively), and discuss their advantages, limitations, and successful applications in cheminformatics. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiple directed graph large-class multi-spectral processor

NASA Technical Reports Server (NTRS)

Casasent, David; Liu, Shiaw-Dong; Yoneyama, Hideyuki

1988-01-01

Numerical analysis techniques for the interpretation of high-resolution imaging-spectrometer data are described and demonstrated. The method proposed involves the use of (1) a hierarchical classifier with a tree structure generated automatically by a Fisher linear-discriminant-function algorithm and (2) a novel multiple-directed-graph scheme which reduces the local maxima and the number of perturbations required. Results for a 500-class test problem involving simulated imaging-spectrometer data are presented in tables and graphs; 100-percent-correct classification is achieved with an improvement factor of 5.

Brain network dynamics characterization in epileptic seizures. Joint directed graph and pairwise synchronization measures

NASA Astrophysics Data System (ADS)

Rodrigues, A. C.; Machado, B. S.; Florence, G.; Hamad, A. P.; Sakamoto, A. C.; Fujita, A.; Baccalá, L. A.; Amaro, E.; Sameshima, K.

2014-12-01

Here we propose and evaluate a new approach to analyse multichannel mesial temporal lobe epilepsy EEG data from eight patients through complex network and synchronization theories. The method employs a Granger causality test to infer the directed connectivity graphs and a wavelet transform based phase synchronization measure whose characteristics allow studying dynamical transitions during epileptic seizures. We present a new combined graph measure that quantifies the level of network hub formation, called network hub out-degree, which closely reflects the level of synchronization observed during the ictus.

Graph determined symbolic dynamics and hybrid systems

NASA Astrophysics Data System (ADS)

Ayers, Kimberly Danielle

In this paper we explore the concept of symbolic dynamical systems whose structure is determined by a directed graph, and then discrete-continuous hybrid systems that arise from such dynamical systems. Typically, symbolic dynamics involve the study of a left shift of a bi-infinite sequence. We examine the case when the bi-infinite system is dictated by a graph; that is, the sequence is a bi-infinite path of a directed graph. We then use the concept to study a system of dynamical systems all on the same compact space M, where "switching" between the systems occurs as given by the bi-infinite sequence in question. The concepts of limit sets, chain recurrent sets, chaos, and Morse sets for these systems are explored.

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

PubMed Central

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

Cascade Cyclizations of Acyclic and Macrocyclic Alkynones: Studies toward the Synthesis of Phomactin A

PubMed Central

Ciesielski, Jennifer; Gandon, Vincent; Frontier, Alison J.

2013-01-01

A study of the reactivity and diastereoselectivity of the Lewis acid-promoted cascade cyclizations of both acyclic and macrocyclic alkynones is described. In these reactions, a β-iodoallenolate intermediate is generated via conjugate addition of iodide to an alkynone, followed by an intramolecular aldol reaction with a tethered aldehyde to afford a cyclohexenyl alcohol. The Lewis acid magnesium iodide (MgI2) was found to promote irreversible ring closure, while cyclizations using BF3·OEt2 as promoter occurred reversibly. For both acyclic and macrocyclic ynones, high diastereoselectivity was observed in the intramolecular aldol reaction. The MgI2 protocol for cyclization was applied to the synthesis of advanced intermediates relevant to the synthesis of phomactin natural products, during which a novel transannular cation-olefin cyclization was observed. DFT calculations were conducted to analyze the mechanism of this unusual MgI2-promoted process. PMID:23724905

Learning Mathematics with Interactive Whiteboards and Computer-Based Graphing Utility

ERIC Educational Resources Information Center

Erbas, Ayhan Kursat; Ince, Muge; Kaya, Sukru

2015-01-01

The purpose of this study was to explore the effect of a technology-supported learning environment utilizing an interactive whiteboard (IWB) and NuCalc graphing software compared to a traditional direct instruction-based environment on student achievement in graphs of quadratic functions and attitudes towards mathematics and technology. Sixty-five…

Generalized graph states based on Hadamard matrices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cui, Shawn X.; Yu, Nengkun; Department of Mathematics and Statistics, University of Guelph, Guelph, Ontario N1G 2W1

2015-07-15

Graph states are widely used in quantum information theory, including entanglement theory, quantum error correction, and one-way quantum computing. Graph states have a nice structure related to a certain graph, which is given by either a stabilizer group or an encoding circuit, both can be directly given by the graph. To generalize graph states, whose stabilizer groups are abelian subgroups of the Pauli group, one approach taken is to study non-abelian stabilizers. In this work, we propose to generalize graph states based on the encoding circuit, which is completely determined by the graph and a Hadamard matrix. We study themore » entanglement structures of these generalized graph states and show that they are all maximally mixed locally. We also explore the relationship between the equivalence of Hadamard matrices and local equivalence of the corresponding generalized graph states. This leads to a natural generalization of the Pauli (X, Z) pairs, which characterizes the local symmetries of these generalized graph states. Our approach is also naturally generalized to construct graph quantum codes which are beyond stabilizer codes.« less

Assessing and grouping chemicals applying partial ordering Alkyl anilines as an illustrative example.

PubMed

Carlsen, Lars; Bruggemann, Rainer

2018-06-03

In chemistry there is a long tradition in classification. Usually methods are adopted from the wide field of cluster analysis. Here, based on the example of 21 alkyl anilines we show that also concepts taken out from the mathematical discipline of partially ordered sets may also be applied. The chemical compounds are described by a multi-indicator system. For the present study four indicators, mainly taken from the field of environmental chemistry were applied and a Hasse diagram was constructed. A Hasse diagram is an acyclic, transitively reduced, triangle free graph that may have several components. The crucial question is, whether or not the Hasse diagram can be interpreted from a structural chemical point of view. This is indeed the case, but it must be clearly stated that a guarantee for meaningful results in general cannot be given. For that further theoretical work is needed. Two cluster analysis methods are applied (K-means and a hierarchical cluster method). In both cases the partitioning of the set of 21 compounds by the component structure of the Hasse diagram appears to be better interpretable. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Algebraic approach to small-world network models

NASA Astrophysics Data System (ADS)

Rudolph-Lilith, Michelle; Muller, Lyle E.

2014-01-01

We introduce an analytic model for directed Watts-Strogatz small-world graphs and deduce an algebraic expression of its defining adjacency matrix. The latter is then used to calculate the small-world digraph's asymmetry index and clustering coefficient in an analytically exact fashion, valid nonasymptotically for all graph sizes. The proposed approach is general and can be applied to all algebraically well-defined graph-theoretical measures, thus allowing for an analytical investigation of finite-size small-world graphs.

PROGRESS IN DETAILED KINETIC MODELING OF THE COMBUSTION OF OXYGENATED COMPONENTS OF BIOFUELS

PubMed Central

Sy Tran, Luc; Sirjean, Baptiste; Glaude, Pierre-Alexandre; Fournet, René; Battin-Leclerc, Frédérique

2013-01-01

Due to growing environmental concerns and diminishing petroleum reserves, a wide range of oxygenated species has been proposed as possible substitutes to fossil fuels: alcohols, methyl esters, acyclic and cyclic ethers. After a short review the major detailed kinetic models already proposed in the literature for the combustion of these molecules, the specific classes of reactions considered for modeling the oxidation of acyclic and cyclic oxygenated molecules respectively, are detailed. PMID:23700355

Exploring Text and Icon Graph Interpretation in Students with Dyslexia: An Eye-tracking Study.

PubMed

Kim, Sunjung; Wiseheart, Rebecca

2017-02-01

A growing body of research suggests that individuals with dyslexia struggle to use graphs efficiently. Given the persistence of orthographic processing deficits in dyslexia, this study tested whether graph interpretation deficits in dyslexia are directly related to difficulties processing the orthographic components of graphs (i.e. axes and legend labels). Participants were 80 college students with and without dyslexia. Response times and eye movements were recorded as students answered comprehension questions about simple data displayed in bar graphs. Axes and legends were labelled either with words (mixed-modality graphs) or icons (orthography-free graphs). Students also answered informationally equivalent questions presented in sentences (orthography-only condition). Response times were slower in the dyslexic group only for processing sentences. However, eye tracking data revealed group differences for processing mixed-modality graphs, whereas no group differences were found for the orthography-free graphs. When processing bar graphs, students with dyslexia differ from their able reading peers only when graphs contain orthographic features. Implications for processing informational text are discussed. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Direction of Auditory Pitch-Change Influences Visual Search for Slope From Graphs.

PubMed

Parrott, Stacey; Guzman-Martinez, Emmanuel; Orte, Laura; Grabowecky, Marcia; Huntington, Mark D; Suzuki, Satoru

2015-01-01

Linear trend (slope) is important information conveyed by graphs. We investigated how sounds influenced slope detection in a visual search paradigm. Four bar graphs or scatter plots were presented on each trial. Participants looked for a positive-slope or a negative-slope target (in blocked trials), and responded to targets in a go or no-go fashion. For example, in a positive-slope-target block, the target graph displayed a positive slope while other graphs displayed negative slopes (a go trial), or all graphs displayed negative slopes (a no-go trial). When an ascending or descending sound was presented concurrently, ascending sounds slowed detection of negative-slope targets whereas descending sounds slowed detection of positive-slope targets. The sounds had no effect when they immediately preceded the visual search displays, suggesting that the results were due to crossmodal interaction rather than priming. The sounds also had no effect when targets were words describing slopes, such as "positive," "negative," "increasing," or "decreasing," suggesting that the results were unlikely due to semantic-level interactions. Manipulations of spatiotemporal similarity between sounds and graphs had little effect. These results suggest that ascending and descending sounds influence visual search for slope based on a general association between the direction of auditory pitch-change and visual linear trend.

On Gammelgaard's Formula for a Star Product with Separation of Variables

NASA Astrophysics Data System (ADS)

Karabegov, Alexander

2013-08-01

We show that Gammelgaard's formula expressing a star product with separation of variables on a pseudo-Kähler manifold in terms of directed graphs without cycles is equivalent to an inversion formula for an operator on a formal Fock space. We prove this inversion formula directly and thus offer an alternative approach to Gammelgaard's formula which gives more insight into the question why the directed graphs in his formula have no cycles.

Synthesis of a new family of acyclic nucleoside phosphonates, analogues of TPases transition states.

PubMed

Dayde, Bénédicte; Benzaria, Samira; Pierra, Claire; Gosselin, Gilles; Surleraux, Dominique; Volle, Jean-Noël; Pirat, Jean-Luc; Virieux, David

2012-05-07

A 6-step procedure was developed for the synthesis of a new family of acyclic nucleoside phosphonates (ANPs), "PHEEPA" [(2-pyrimidinyl-2-(2-hydroxyethoxy)ethyl)phosphonic acids] in overall yields ranging from 4.5% to 32%. These compounds, which possess on one side a hydroxy function and on the other side a phosphonate group, can be considered either as potential antiviral agents or as transition state analogues of nucleoside phosphorylases such as thymidine phosphorylase.

Graph reconstruction using covariance-based methods.

PubMed

Sulaimanov, Nurgazy; Koeppl, Heinz

2016-12-01

Methods based on correlation and partial correlation are today employed in the reconstruction of a statistical interaction graph from high-throughput omics data. These dedicated methods work well even for the case when the number of variables exceeds the number of samples. In this study, we investigate how the graphs extracted from covariance and concentration matrix estimates are related by using Neumann series and transitive closure and through discussing concrete small examples. Considering the ideal case where the true graph is available, we also compare correlation and partial correlation methods for large realistic graphs. In particular, we perform the comparisons with optimally selected parameters based on the true underlying graph and with data-driven approaches where the parameters are directly estimated from the data.

Overview and extensions of a system for routing directed graphs on SIMD architectures

NASA Technical Reports Server (NTRS)

Tomboulian, Sherryl

1988-01-01

Many problems can be described in terms of directed graphs that contain a large number of vertices where simple computations occur using data from adjacent vertices. A method is given for parallelizing such problems on an SIMD machine model that uses only nearest neighbor connections for communication, and has no facility for local indirect addressing. Each vertex of the graph will be assigned to a processor in the machine. Rules for a labeling are introduced that support the use of a simple algorithm for movement of data along the edges of the graph. Additional algorithms are defined for addition and deletion of edges. Modifying or adding a new edge takes the same time as parallel traversal. This combination of architecture and algorithms defines a system that is relatively simple to build and can do fast graph processing. All edges can be traversed in parallel in time O(T), where T is empirically proportional to the average path length in the embedding times the average degree of the graph. Additionally, researchers present an extension to the above method which allows for enhanced performance by allowing some broadcasting capabilities.

Distributed MPC based consensus for single-integrator multi-agent systems.

PubMed

Cheng, Zhaomeng; Fan, Ming-Can; Zhang, Hai-Tao

2015-09-01

This paper addresses model predictive control schemes for consensus in multi-agent systems (MASs) with discrete-time single-integrator dynamics under switching directed interaction graphs. The control horizon is extended to be greater than one which endows the closed-loop system with extra degree of freedom. We derive sufficient conditions on the sampling period and the interaction graph to achieve consensus by using the property of infinite products of stochastic matrices. Consensus can be achieved asymptotically if the sampling period is selected such that the interaction graph among agents has a directed spanning tree jointly. Significantly, if the interaction graph always has a spanning tree, one can select an arbitrary large sampling period to guarantee consensus. Finally, several simulations are conducted to illustrate the effectiveness of the theoretical results. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

Efficient, graph-based white matter connectivity from orientation distribution functions via multi-directional graph propagation

NASA Astrophysics Data System (ADS)

Boucharin, Alexis; Oguz, Ipek; Vachet, Clement; Shi, Yundi; Sanchez, Mar; Styner, Martin

2011-03-01

The use of regional connectivity measurements derived from diffusion imaging datasets has become of considerable interest in the neuroimaging community in order to better understand cortical and subcortical white matter connectivity. Current connectivity assessment methods are based on streamline fiber tractography, usually applied in a Monte-Carlo fashion. In this work we present a novel, graph-based method that performs a fully deterministic, efficient and stable connectivity computation. The method handles crossing fibers and deals well with multiple seed regions. The computation is based on a multi-directional graph propagation method applied to sampled orientation distribution function (ODF), which can be computed directly from the original diffusion imaging data. We show early results of our method on synthetic and real datasets. The results illustrate the potential of our method towards subjectspecific connectivity measurements that are performed in an efficient, stable and reproducible manner. Such individual connectivity measurements would be well suited for application in population studies of neuropathology, such as Autism, Huntington's Disease, Multiple Sclerosis or leukodystrophies. The proposed method is generic and could easily be applied to non-diffusion data as long as local directional data can be derived.

Scenario driven data modelling: a method for integrating diverse sources of data and data streams

PubMed Central

2011-01-01

Background Biology is rapidly becoming a data intensive, data-driven science. It is essential that data is represented and connected in ways that best represent its full conceptual content and allows both automated integration and data driven decision-making. Recent advancements in distributed multi-relational directed graphs, implemented in the form of the Semantic Web make it possible to deal with complicated heterogeneous data in new and interesting ways. Results This paper presents a new approach, scenario driven data modelling (SDDM), that integrates multi-relational directed graphs with data streams. SDDM can be applied to virtually any data integration challenge with widely divergent types of data and data streams. In this work, we explored integrating genetics data with reports from traditional media. SDDM was applied to the New Delhi metallo-beta-lactamase gene (NDM-1), an emerging global health threat. The SDDM process constructed a scenario, created a RDF multi-relational directed graph that linked diverse types of data to the Semantic Web, implemented RDF conversion tools (RDFizers) to bring content into the Sematic Web, identified data streams and analytical routines to analyse those streams, and identified user requirements and graph traversals to meet end-user requirements. Conclusions We provided an example where SDDM was applied to a complex data integration challenge. The process created a model of the emerging NDM-1 health threat, identified and filled gaps in that model, and constructed reliable software that monitored data streams based on the scenario derived multi-relational directed graph. The SDDM process significantly reduced the software requirements phase by letting the scenario and resulting multi-relational directed graph define what is possible and then set the scope of the user requirements. Approaches like SDDM will be critical to the future of data intensive, data-driven science because they automate the process of converting massive data streams into usable knowledge. PMID:22165854

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

PubMed

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.

The role of minerals in the thermal alteration of organic matter. IV - Generation of n-alkanes, acyclic isoprenoids, and alkenes in laboratory experiments

NASA Technical Reports Server (NTRS)

Huizinga, Bradley J.; Tannenbaum, Eli; Kaplan, Isaac R.

1987-01-01

The effect of common sedimentary minerals (illite, Na-montmorillonite, or calcite) under different water concentrations on the generation and release of n-alkanes, acyclic isoprenoids, and select alkenes from oil-prone kerogens was investigated. Matrices containing Green River Formation kerogen or Monterey Formation kerogen, alone or in the presence of minerals, were heated at 200 or 300 C for periods of up to 1000 hours, and the pyrolysis products were analyzed. The influence of the first two clay minerals was found to be critically dependent on the water content. Under the dry pyrolysis conditions, both minerals significantly reduced alkene formation; the C12+ n-alkanes and acyclic isoprenoids were mostly destroyed by montmorillonite, but underwent only minor alteration with illite. Under hydrous conditions (mineral/water of 2/1), the effects of both minerals were substantially reduced. Calcite had no significant effect on the thermal evolution of the hydrocarbons.

An Alternative Mechanism for the Dimerization of Formic Acid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brinkman, Nicole R.; Tschumper, Gregory; Yan, Ge

Gas-phase formic acid exists primarily as a cyclic dimer. The mechanism of dimerization has been traditionally considered to be a synchronous process; however, recent experimental findings suggest a possible alternative mechanism by which two formic acid monomers proceed through an acyclic dimer to the cyclic dimer in a stepwise process. To investigate this newly proposed process of dimerization in formic acid, density functional theory and second-order Moeller-Plesset perturbation theory (MP2) have been used to optimize cis and trans monomers of formic acid, the acyclic and cyclic dimers, and the acyclic and cyclic transition states between minima. Single-point energies of themore » trans monomer, dimer minima, and transition states at the MP2/TZ2P+diff optimized geometries were computed at the coupled-cluster level of theory including singles and doubles with perturbatively applied triple excitations [CCSD(T)] with an aug-cc-pVTZ basis set to obtain an accurate determination of energy barriers and dissociation energies. A counterpoise correction was performed to determine an estimate of the basis set superposition error in computing relative energies. The explicitly correlated MP2 method of Kutzelnigg and Klopper (MP2-R12) was used to provide an independent means for obtaining the MP2 one-particle limit. The cyclic minimum is predicted to be 6.3 kcal/mol more stable than the acyclic minimum, and the barrier to double proton transfer is 7.1 kcal/mol.« less

Probabilistic generation of random networks taking into account information on motifs occurrence.

PubMed

Bois, Frederic Y; Gayraud, Ghislaine

2015-01-01

Because of the huge number of graphs possible even with a small number of nodes, inference on network structure is known to be a challenging problem. Generating large random directed graphs with prescribed probabilities of occurrences of some meaningful patterns (motifs) is also difficult. We show how to generate such random graphs according to a formal probabilistic representation, using fast Markov chain Monte Carlo methods to sample them. As an illustration, we generate realistic graphs with several hundred nodes mimicking a gene transcription interaction network in Escherichia coli.

Probabilistic Generation of Random Networks Taking into Account Information on Motifs Occurrence

PubMed Central

Bois, Frederic Y.

2015-01-01

Abstract Because of the huge number of graphs possible even with a small number of nodes, inference on network structure is known to be a challenging problem. Generating large random directed graphs with prescribed probabilities of occurrences of some meaningful patterns (motifs) is also difficult. We show how to generate such random graphs according to a formal probabilistic representation, using fast Markov chain Monte Carlo methods to sample them. As an illustration, we generate realistic graphs with several hundred nodes mimicking a gene transcription interaction network in Escherichia coli. PMID:25493547

On the Primitive Ideal spaces of the C(*) -algebras of graphs

NASA Astrophysics Data System (ADS)

Bates, Teresa

2005-11-01

We characterise the topological spaces which arise as the primitive ideal spaces of the Cuntz-Krieger algebras of graphs satisfying condition (K): directed graphs in which every vertex lying on a loop lies on at least two loops. We deduce that the spaces which arise as Prim;C(*(E)) are precisely the spaces which arise as the primitive ideal spaces of AF-algebras. Finally, we construct a graph wt{E} from E such that C(*(wt{E})) is an AF-algebra and Prim;C(*(E)) and Prim;C(*(wt{E})) are homeomorphic.

Nested Tracking Graphs

DOE PAGES

Lukasczyk, Jonas; Weber, Gunther; Maciejewski, Ross; ...

2017-06-01

Tracking graphs are a well established tool in topological analysis to visualize the evolution of components and their properties over time, i.e., when components appear, disappear, merge, and split. However, tracking graphs are limited to a single level threshold and the graphs may vary substantially even under small changes to the threshold. To examine the evolution of features for varying levels, users have to compare multiple tracking graphs without a direct visual link between them. We propose a novel, interactive, nested graph visualization based on the fact that the tracked superlevel set components for different levels are related to eachmore » other through their nesting hierarchy. This approach allows us to set multiple tracking graphs in context to each other and enables users to effectively follow the evolution of components for different levels simultaneously. We show the effectiveness of our approach on datasets from finite pointset methods, computational fluid dynamics, and cosmology simulations.« less

Solving Graph Laplacian Systems Through Recursive Bisections and Two-Grid Preconditioning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ponce, Colin; Vassilevski, Panayot S.

2016-02-18

We present a parallelizable direct method for computing the solution to graph Laplacian-based linear systems derived from graphs that can be hierarchically bipartitioned with small edge cuts. For a graph of size n with constant-size edge cuts, our method decomposes a graph Laplacian in time O(n log n), and then uses that decomposition to perform a linear solve in time O(n log n). We then use the developed technique to design a preconditioner for graph Laplacians that do not have this property. Finally, we augment this preconditioner with a two-grid method that accounts for much of the preconditioner's weaknesses. Wemore » present an analysis of this method, as well as a general theorem for the condition number of a general class of two-grid support graph-based preconditioners. Numerical experiments illustrate the performance of the studied methods.« less

Tensor Spectral Clustering for Partitioning Higher-order Network Structures.

PubMed

Benson, Austin R; Gleich, David F; Leskovec, Jure

2015-01-01

Spectral graph theory-based methods represent an important class of tools for studying the structure of networks. Spectral methods are based on a first-order Markov chain derived from a random walk on the graph and thus they cannot take advantage of important higher-order network substructures such as triangles, cycles, and feed-forward loops. Here we propose a Tensor Spectral Clustering (TSC) algorithm that allows for modeling higher-order network structures in a graph partitioning framework. Our TSC algorithm allows the user to specify which higher-order network structures (cycles, feed-forward loops, etc.) should be preserved by the network clustering. Higher-order network structures of interest are represented using a tensor, which we then partition by developing a multilinear spectral method. Our framework can be applied to discovering layered flows in networks as well as graph anomaly detection, which we illustrate on synthetic networks. In directed networks, a higher-order structure of particular interest is the directed 3-cycle, which captures feedback loops in networks. We demonstrate that our TSC algorithm produces large partitions that cut fewer directed 3-cycles than standard spectral clustering algorithms.

Tensor Spectral Clustering for Partitioning Higher-order Network Structures

PubMed Central

Benson, Austin R.; Gleich, David F.; Leskovec, Jure

2016-01-01

Spectral graph theory-based methods represent an important class of tools for studying the structure of networks. Spectral methods are based on a first-order Markov chain derived from a random walk on the graph and thus they cannot take advantage of important higher-order network substructures such as triangles, cycles, and feed-forward loops. Here we propose a Tensor Spectral Clustering (TSC) algorithm that allows for modeling higher-order network structures in a graph partitioning framework. Our TSC algorithm allows the user to specify which higher-order network structures (cycles, feed-forward loops, etc.) should be preserved by the network clustering. Higher-order network structures of interest are represented using a tensor, which we then partition by developing a multilinear spectral method. Our framework can be applied to discovering layered flows in networks as well as graph anomaly detection, which we illustrate on synthetic networks. In directed networks, a higher-order structure of particular interest is the directed 3-cycle, which captures feedback loops in networks. We demonstrate that our TSC algorithm produces large partitions that cut fewer directed 3-cycles than standard spectral clustering algorithms. PMID:27812399

EClerize: A customized force-directed graph drawing algorithm for biological graphs with EC attributes.

PubMed

Danaci, Hasan Fehmi; Cetin-Atalay, Rengul; Atalay, Volkan

2018-03-26

Visualizing large-scale data produced by the high throughput experiments as a biological graph leads to better understanding and analysis. This study describes a customized force-directed layout algorithm, EClerize, for biological graphs that represent pathways in which the nodes are associated with Enzyme Commission (EC) attributes. The nodes with the same EC class numbers are treated as members of the same cluster. Positions of nodes are then determined based on both the biological similarity and the connection structure. EClerize minimizes the intra-cluster distance, that is the distance between the nodes of the same EC cluster and maximizes the inter-cluster distance, that is the distance between two distinct EC clusters. EClerize is tested on a number of biological pathways and the improvement brought in is presented with respect to the original algorithm. EClerize is available as a plug-in to cytoscape ( http://apps.cytoscape.org/apps/eclerize ).

Measuring Graph Comprehension, Critique, and Construction in Science

NASA Astrophysics Data System (ADS)

Lai, Kevin; Cabrera, Julio; Vitale, Jonathan M.; Madhok, Jacquie; Tinker, Robert; Linn, Marcia C.

2016-08-01

Interpreting and creating graphs plays a critical role in scientific practice. The K-12 Next Generation Science Standards call for students to use graphs for scientific modeling, reasoning, and communication. To measure progress on this dimension, we need valid and reliable measures of graph understanding in science. In this research, we designed items to measure graph comprehension, critique, and construction and developed scoring rubrics based on the knowledge integration (KI) framework. We administered the items to over 460 middle school students. We found that the items formed a coherent scale and had good reliability using both item response theory and classical test theory. The KI scoring rubric showed that most students had difficulty linking graphs features to science concepts, especially when asked to critique or construct graphs. In addition, students with limited access to computers as well as those who speak a language other than English at home have less integrated understanding than others. These findings point to the need to increase the integration of graphing into science instruction. The results suggest directions for further research leading to comprehensive assessments of graph understanding.

Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase

PubMed Central

Clinch, Keith; Crump, Douglas R.; Evans, Gary B.; Hazleton, Keith Z.; Mason, Jennifer M.; Schramm, Vern L.

2013-01-01

The pathogenic protozoa responsible for malaria lack enzymes for the de novo synthesis of purines and rely on purine salvage from the host. In Plasmodium falciparum (Pf), hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) converts hypoxanthine to inosine monophosphate and is essential for purine salvage making the enzyme an anti-malarial drug target. We have synthesized a number of simple acyclic aza-C- nucleosides and shown that some are potent inhibitors of Pf HGXPRT while showing excellent selectivity for the Pf versus the human enzyme. PMID:23810424

Iterative Coupling of Two Different Enones by Nitromethane Using Bifunctional Thiourea Organocatalysts. Stereocontrolled Assembly of Cyclic and Acyclic Structures.

PubMed

Varga, Szilárd; Jakab, Gergely; Csámpai, Antal; Soós, Tibor

2015-09-18

An organocatalytic iterative assembly line has been developed in which nitromethane was sequentially coupled with two different enones using a combination of pseudoenantiomeric cinchona-based thiourea catalysts. Application of unsaturated aldehydes and ketones in the second step of the iterative sequence allows the construction of cyclic syn-ketols and acyclic compounds with multiple contiguous stereocenters. The combination of the multifunctional substrates and ambident electrophiles rendered some organocatalytic transformations possible that have not yet been realized in bifunctional noncovalent organocatalysis.

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

PubMed

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.

Toughness and Matching Extension in Graphs,

DTIC Science & Technology

1986-05-01

New York, 1977. V. CHVATAL 1973a. Tough graphs and Hamiltonian circuits, Discrete Math . 5, 1973, 215- 228. 1973b. New directions in Hamiltonian...PLUMMER 1986. Matching Theory, Ann. Discrete Math ., North-Holland, Amsterdam, 1986 (to appear). M. D. PLUMMER 1980. On n-extendable graphs, Discrete ... Math . 31, 1980, 201-210. 1985. A theorem on matchings in the plane, Conference in memory of Gabriel Dirac, Ann. Discrete Math ., North-Holland, Amsterdam

Skeletal Mechanism Generation of Surrogate Jet Fuels for Aeropropulsion Modeling

NASA Astrophysics Data System (ADS)

Sung, Chih-Jen; Niemeyer, Kyle E.

2010-05-01

A novel implementation for the skeletal reduction of large detailed reaction mechanisms using the directed relation graph with error propagation and sensitivity analysis (DRGEPSA) is developed and presented with skeletal reductions of two important hydrocarbon components, n-heptane and n-decane, relevant to surrogate jet fuel development. DRGEPSA integrates two previously developed methods, directed relation graph-aided sensitivity analysis (DRGASA) and directed relation graph with error propagation (DRGEP), by first applying DRGEP to efficiently remove many unimportant species prior to sensitivity analysis to further remove unimportant species, producing an optimally small skeletal mechanism for a given error limit. It is illustrated that the combination of the DRGEP and DRGASA methods allows the DRGEPSA approach to overcome the weaknesses of each previous method, specifically that DRGEP cannot identify all unimportant species and that DRGASA shields unimportant species from removal.

Using minimal spanning trees to compare the reliability of network topologies

NASA Technical Reports Server (NTRS)

Leister, Karen J.; White, Allan L.; Hayhurst, Kelly J.

1990-01-01

Graph theoretic methods are applied to compute the reliability for several types of networks of moderate size. The graph theory methods used are minimal spanning trees for networks with bi-directional links and the related concept of strongly connected directed graphs for networks with uni-directional links. A comparison is conducted of ring networks and braided networks. The case is covered where just the links fail and the case where both links and nodes fail. Two different failure modes for the links are considered. For one failure mode, the link no longer carries messages. For the other failure mode, the link delivers incorrect messages. There is a description and comparison of link-redundancy versus path-redundancy as methods to achieve reliability. All the computations are carried out by means of a fault tree program.

Distributed Cooperative Optimal Control for Multiagent Systems on Directed Graphs: An Inverse Optimal Approach.

PubMed

Zhang, Huaguang; Feng, Tao; Yang, Guang-Hong; Liang, Hongjing

2015-07-01

In this paper, the inverse optimal approach is employed to design distributed consensus protocols that guarantee consensus and global optimality with respect to some quadratic performance indexes for identical linear systems on a directed graph. The inverse optimal theory is developed by introducing the notion of partial stability. As a result, the necessary and sufficient conditions for inverse optimality are proposed. By means of the developed inverse optimal theory, the necessary and sufficient conditions are established for globally optimal cooperative control problems on directed graphs. Basic optimal cooperative design procedures are given based on asymptotic properties of the resulting optimal distributed consensus protocols, and the multiagent systems can reach desired consensus performance (convergence rate and damping rate) asymptotically. Finally, two examples are given to illustrate the effectiveness of the proposed methods.

Edge compression techniques for visualization of dense directed graphs.

PubMed

Dwyer, Tim; Henry Riche, Nathalie; Marriott, Kim; Mears, Christopher

2013-12-01

We explore the effectiveness of visualizing dense directed graphs by replacing individual edges with edges connected to 'modules'-or groups of nodes-such that the new edges imply aggregate connectivity. We only consider techniques that offer a lossless compression: that is, where the entire graph can still be read from the compressed version. The techniques considered are: a simple grouping of nodes with identical neighbor sets; Modular Decomposition which permits internal structure in modules and allows them to be nested; and Power Graph Analysis which further allows edges to cross module boundaries. These techniques all have the same goal--to compress the set of edges that need to be rendered to fully convey connectivity--but each successive relaxation of the module definition permits fewer edges to be drawn in the rendered graph. Each successive technique also, we hypothesize, requires a higher degree of mental effort to interpret. We test this hypothetical trade-off with two studies involving human participants. For Power Graph Analysis we propose a novel optimal technique based on constraint programming. This enables us to explore the parameter space for the technique more precisely than could be achieved with a heuristic. Although applicable to many domains, we are motivated by--and discuss in particular--the application to software dependency analysis.

AGM: A DSL for mobile cloud computing based on directed graph

NASA Astrophysics Data System (ADS)

Tanković, Nikola; Grbac, Tihana Galinac

2016-06-01

This paper summarizes a novel approach for consuming a domain specific language (DSL) by transforming it to a directed graph representation persisted by a graph database. Using such specialized database enables advanced navigation trough the stored model exposing only relevant subsets of meta-data to different involved services and components. We applied this approach in a mobile cloud computing system and used it to model several mobile applications in retail, supply chain management and merchandising domain. These application are distributed in a Software-as-a-Service (SaaS) fashion and used by thousands of customers in Croatia. We report on lessons learned and propose further research on this topic.

Do sugar-sweetened beverages cause adverse health outcomes in children? A systematic review protocol.

PubMed

Stevens, Adrienne; Hamel, Candyce; Singh, Kavita; Ansari, Mohammed T; Myers, Esther; Ziegler, Paula; Hutton, Brian; Sharma, Arya; Bjerre, Lise M; Fenton, Shannon; Gow, Robert; Hadjiyannakis, Stasia; O'Hara, Kathryn; Pound, Catherine; Salewski, Erinn; Shrier, Ian; Willows, Noreen; Moher, David; Tremblay, Mark

2014-09-04

Cardiovascular disease and type 2 diabetes are examples of chronic diseases that impose significant morbidity and mortality in the general population worldwide. Most chronic diseases are associated with underlying preventable risk factors, such as elevated blood pressure, high blood glucose or glucose intolerance, high lipid levels, physical inactivity, excessive sedentary behaviours, and overweight/obesity. The occurrence of intermediate outcomes during childhood increases the risk of disease in adulthood. Sugar-sweetened beverages are known to be significant sources of additional caloric intake, and given recent attention to their contribution in the development of chronic diseases, a systematic review is warranted. We will assess whether the consumption of sugar-sweetened beverages in children is associated with adverse health outcomes and what the potential moderating factors are. Of interest are studies addressing sugar-sweetened beverage consumption, taking a broad perspective. Both direct consumption studies as well as those evaluating interventions that influence consumption (e.g. school policy, educational) will be relevant. Non-specific or multi-faceted behavioural, educational, or policy interventions may also be included subject to the level of evidence that exists for the other interventions/exposures. Comparisons of interest and endpoints of interest are pre-specified. We will include randomized controlled trials, controlled clinical trials, interrupted time series studies, controlled before-after studies, prospective and retrospective comparative cohort studies, case-control studies, and nested case-control designs. The MEDLINE®, Embase, The Cochrane Library, CINAHL, ERIC, and PsycINFO® databases and grey literature sources will be searched. The processes for selecting studies, abstracting data, and resolving conflicts are described. We will assess risk of bias using design-specific tools. To determine sets of confounding variables that should be adjusted for, we have developed causal directed acyclic graphs and will use those to inform our risk of bias assessments. Meta-analysis will be conducted where appropriate; parameters for exploring statistical heterogeneity and effect modifiers are pre-specified. The Grading of Recommendations Assessment, Development and Evaluation (GRADE) approach will be used to determine the quality of evidence for outcomes. PROSPERO CRD42014009641.

Do sugar-sweetened beverages cause adverse health outcomes in children? A systematic review protocol

PubMed Central

2014-01-01

Background Cardiovascular disease and type 2 diabetes are examples of chronic diseases that impose significant morbidity and mortality in the general population worldwide. Most chronic diseases are associated with underlying preventable risk factors, such as elevated blood pressure, high blood glucose or glucose intolerance, high lipid levels, physical inactivity, excessive sedentary behaviours, and overweight/obesity. The occurrence of intermediate outcomes during childhood increases the risk of disease in adulthood. Sugar-sweetened beverages are known to be significant sources of additional caloric intake, and given recent attention to their contribution in the development of chronic diseases, a systematic review is warranted. We will assess whether the consumption of sugar-sweetened beverages in children is associated with adverse health outcomes and what the potential moderating factors are. Methods/Design Of interest are studies addressing sugar-sweetened beverage consumption, taking a broad perspective. Both direct consumption studies as well as those evaluating interventions that influence consumption (e.g. school policy, educational) will be relevant. Non-specific or multi-faceted behavioural, educational, or policy interventions may also be included subject to the level of evidence that exists for the other interventions/exposures. Comparisons of interest and endpoints of interest are pre-specified. We will include randomized controlled trials, controlled clinical trials, interrupted time series studies, controlled before-after studies, prospective and retrospective comparative cohort studies, case–control studies, and nested case–control designs. The MEDLINE®, Embase, The Cochrane Library, CINAHL, ERIC, and PsycINFO® databases and grey literature sources will be searched. The processes for selecting studies, abstracting data, and resolving conflicts are described. We will assess risk of bias using design-specific tools. To determine sets of confounding variables that should be adjusted for, we have developed causal directed acyclic graphs and will use those to inform our risk of bias assessments. Meta-analysis will be conducted where appropriate; parameters for exploring statistical heterogeneity and effect modifiers are pre-specified. The Grading of Recommendations Assessment, Development and Evaluation (GRADE) approach will be used to determine the quality of evidence for outcomes. Systematic review registration PROSPERO CRD42014009641. PMID:25192945

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

PubMed

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.

Distributed-Memory Breadth-First Search on Massive Graphs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Buluc, Aydin; Beamer, Scott; Madduri, Kamesh

This chapter studies the problem of traversing large graphs using the breadth-first search order on distributed-memory supercomputers. We consider both the traditional level-synchronous top-down algorithm as well as the recently discovered direction optimizing algorithm. We analyze the performance and scalability trade-offs in using different local data structures such as CSR and DCSC, enabling in-node multithreading, and graph decompositions such as 1D and 2D decomposition.

Planning Assembly Of Large Truss Structures In Outer Space

NASA Technical Reports Server (NTRS)

De Mello, Luiz S. Homem; Desai, Rajiv S.

1992-01-01

Report dicusses developmental algorithm used in systematic planning of sequences of operations in which large truss structures assembled in outer space. Assembly sequence represented by directed graph called "assembly graph", in which each arc represents joining of two parts or subassemblies. Algorithm generates assembly graph, working backward from state of complete assembly to initial state, in which all parts disassembled. Working backward more efficient than working forward because it avoids intermediate dead ends.

Internally connected graphs and the Kashiwara-Vergne Lie algebra

NASA Astrophysics Data System (ADS)

Felder, Matteo

2018-06-01

It is conjectured that the Kashiwara-Vergne Lie algebra \\widehat{krv}_2 is isomorphic to the direct sum of the Grothendieck-Teichmüller Lie algebra grt_1 and a one-dimensional Lie algebra. In this paper, we use the graph complex of internally connected graphs to define a nested sequence of Lie subalgebras of \\widehat{krv}_2 whose intersection is grt_1, thus giving a way to interpolate between these two Lie algebras.

Acyclic Cucurbit[n]uril-type Molecular Containers: Influence of Aromatic Walls on their Function as Solubilizing Excipients for Insoluble Drugs

PubMed Central

2015-01-01

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]. PMID:25369565

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

PubMed

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].

Label Information Guided Graph Construction for Semi-Supervised Learning.

PubMed

Zhuang, Liansheng; Zhou, Zihan; Gao, Shenghua; Yin, Jingwen; Lin, Zhouchen; Ma, Yi

2017-09-01

In the literature, most existing graph-based semi-supervised learning methods only use the label information of observed samples in the label propagation stage, while ignoring such valuable information when learning the graph. In this paper, we argue that it is beneficial to consider the label information in the graph learning stage. Specifically, by enforcing the weight of edges between labeled samples of different classes to be zero, we explicitly incorporate the label information into the state-of-the-art graph learning methods, such as the low-rank representation (LRR), and propose a novel semi-supervised graph learning method called semi-supervised low-rank representation. This results in a convex optimization problem with linear constraints, which can be solved by the linearized alternating direction method. Though we take LRR as an example, our proposed method is in fact very general and can be applied to any self-representation graph learning methods. Experiment results on both synthetic and real data sets demonstrate that the proposed graph learning method can better capture the global geometric structure of the data, and therefore is more effective for semi-supervised learning tasks.

Mathematics of Web science: structure, dynamics and incentives.

PubMed

Chayes, Jennifer

2013-03-28

Dr Chayes' talk described how, to a discrete mathematician, 'all the world's a graph, and all the people and domains merely vertices'. A graph is represented as a set of vertices V and a set of edges E, so that, for instance, in the World Wide Web, V is the set of pages and E the directed hyperlinks; in a social network, V is the people and E the set of relationships; and in the autonomous system Internet, V is the set of autonomous systems (such as AOL, Yahoo! and MSN) and E the set of connections. This means that mathematics can be used to study the Web (and other large graphs in the online world) in the following way: first, we can model online networks as large finite graphs; second, we can sample pieces of these graphs; third, we can understand and then control processes on these graphs; and fourth, we can develop algorithms for these graphs and apply them to improve the online experience.

K-theory of locally finite graph C∗-algebras

NASA Astrophysics Data System (ADS)

Iyudu, Natalia

2013-09-01

We calculate the K-theory of the Cuntz-Krieger algebra OE associated with an infinite, locally finite graph, via the Bass-Hashimoto operator. The formulae we get express the Grothendieck group and the Whitehead group in purely graph theoretic terms. We consider the category of finite (black-and-white, bi-directed) subgraphs with certain graph homomorphisms and construct a continuous functor to abelian groups. In this category K0 is an inductive limit of K-groups of finite graphs, which were calculated in Cornelissen et al. (2008) [3]. In the case of an infinite graph with the finite Betti number we obtain the formula for the Grothendieck group K0(OE)=Z, where β(E) is the first Betti number and γ(E) is the valency number of the graph E. We note that in the infinite case the torsion part of K0, which is present in the case of a finite graph, vanishes. The Whitehead group depends only on the first Betti number: K1(OE)=Z. These allow us to provide a counterexample to the fact, which holds for finite graphs, that K1(OE) is the torsion free part of K0(OE).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hagberg, Aric; Swart, Pieter; S Chult, Daniel

NetworkX is a Python language package for exploration and analysis of networks and network algorithms. The core package provides data structures for representing many types of networks, or graphs, including simple graphs, directed graphs, and graphs with parallel edges and self loops. The nodes in NetworkX graphs can be any (hashable) Python object and edges can contain arbitrary data; this flexibility mades NetworkX ideal for representing networks found in many different scientific fields. In addition to the basic data structures many graph algorithms are implemented for calculating network properties and structure measures: shortest paths, betweenness centrality, clustering, and degree distributionmore » and many more. NetworkX can read and write various graph formats for eash exchange with existing data, and provides generators for many classic graphs and popular graph models, such as the Erdoes-Renyi, Small World, and Barabasi-Albert models, are included. The ease-of-use and flexibility of the Python programming language together with connection to the SciPy tools make NetworkX a powerful tool for scientific computations. We discuss some of our recent work studying synchronization of coupled oscillators to demonstrate how NetworkX enables research in the field of computational networks.« less

Effect of initial GnRH and time of insemination on reproductive performance in cyclic and acyclic beef heifers subjected to a 5-d Co-synch plus progesterone protocol.

PubMed

Helguera, I López; Whittaker, P; Behrouzi, A; Mapletoft, R J; Colazo, M G

2018-01-15

This study evaluated the effect of initial GnRH and timing of AI in a 5-d Co-synch plus CIDR (device containing 1.38 g of progesterone) protocol on pregnancy per AI (P/AI) and pregnancy loss in beef heifers. A secondary objective was to determine if the effect of initial GnRH on reproductive performance was influenced by cyclicity. Crossbred beef heifers (n = 1068; 301-514 kg of body weight, and 13-15 mo of age) at three locations were assigned to either a 5-d Co-synch plus CIDR protocol with (CIDR5G) or without (CIDR5NG) an initial injection of 100 μg of GnRH at CIDR insertion (Day 0). All heifers received a single dose of 500 μg of cloprostenol at CIDR removal (Day 5) and were divided into two groups to receive GnRH and TAI at either 66 or 72 h (Day 8) after CIDR removal. All heifers were inseminated by one technician with frozen-thawed semen from 1 of 4 sires available commercially. Transrectal ultrasonography was performed on Day 0 to determine cyclicity (presence of CL) and normalcy of the reproductive track, and 27 d after TAI to determine pregnancy status. Non-pregnant heifers (n = 470) were assigned to either a CIDR5G or a CIDR5NG protocol with TAI at 72 h after CIDR removal. Twelve days after second AI, heifers were exposure to bulls for 20 d and pregnancy diagnoses were performed approximately 30 d after second TAI and 60 d after bulls were removed to diagnose bull pregnancies and determine pregnancy loss rate. The percentage of acyclic heifers was 20.3%. Overall P/AI after first TAI was 55.6% (594/1068) and did not differ between CIDR5G and CIDR5NG (56.1 vs. 55.1%), or between TAI66 and TAI72 (55.8 vs. 55.4%). However, cyclic heifers were more likely to become pregnant than acyclic ones (59.3 vs. 41.2%; P < 0.01). Moreover, acyclic heifers subjected to the CIDR5NG had fewer P/AI than those subjected to CIDR5G (P < 0.01). Overall P/AI after resynchronization was 55.1% and did not differ between CIDR5G and CIDR5NG (51.3 vs. 59.0%). Overall pregnancy loss after first and second TAI were 3.0% (18/594) and 3.9% (8/205), respectively. When pregnancy loss data were combined, synchronization protocol (4.1 vs. 2.3% for CIDR5NG and CIDR5G; P = 0.01), cyclicity (5.8 vs. 2.9% for acyclic and cyclic; P = 0.03) and the interaction between synchronization protocol and cyclicity (P = 0.04) were significant. The overall cumulative pregnancy at the end of the breeding season was 94.2% (1006/1068); acyclic heifers were less likely to be pregnant at the end of the breeding season (88.4 vs. 95.8%; P < 0.01). In summary, the initial GnRH administration in a 5-d Co-synch plus CIDR protocol that includes a single PGF treatment is necessary in acyclic beef heifers to optimize P/AI, but not in cyclic heifers. Moreover, omission of initial GnRH was associated to greater pregnancy losses, particularly in acyclic heifers. Timing of AI did not affect P/AI. Crown Copyright © 2017. Published by Elsevier Inc. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Braunstein, Samuel L.; Ghosh, Sibasish; Severini, Simone

We reconsider density matrices of graphs as defined in quant-ph/0406165. The density matrix of a graph is the combinatorial Laplacian of the graph normalized to have unit trace. We describe a simple combinatorial condition (the 'degree condition') to test the separability of density matrices of graphs. The condition is directly related to the Peres-Horodecki partial transposition condition. We prove that the degree condition is necessary for separability, and we conjecture that it is also sufficient. We prove special cases of the conjecture involving nearest-point graphs and perfect matchings. We observe that the degree condition appears to have a value beyondmore » the density matrices of graphs. In fact, we point out that circulant density matrices and other matrices constructed from groups always satisfy the condition and indeed are separable with respect to any split. We isolate a number of problems and delineate further generalizations.« less

Disease management research using event graphs.

PubMed

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.

Communication and complexity in a GRN-based multicellular system for graph colouring.

PubMed

Buck, Moritz; Nehaniv, Chrystopher L

2008-01-01

Artificial Genetic Regulatory Networks (GRNs) are interesting control models through their simplicity and versatility. They can be easily implemented, evolved and modified, and their similarity to their biological counterparts makes them interesting for simulations of life-like systems as well. These aspects suggest they may be perfect control systems for distributed computing in diverse situations, but to be usable for such applications the computational power and evolvability of GRNs need to be studied. In this research we propose a simple distributed system implementing GRNs to solve the well known NP-complete graph colouring problem. Every node (cell) of the graph to be coloured is controlled by an instance of the same GRN. All the cells communicate directly with their immediate neighbours in the graph so as to set up a good colouring. The quality of this colouring directs the evolution of the GRNs using a genetic algorithm. We then observe the quality of the colouring for two different graphs according to different communication protocols and the number of different proteins in the cell (a measure for the possible complexity of a GRN). Those two points, being the main scalability issues that any computational paradigm raises, will then be discussed.

Leader-following control of multiple nonholonomic systems over directed communication graphs

NASA Astrophysics Data System (ADS)

Dong, Wenjie; Djapic, Vladimir

2016-06-01

This paper considers the leader-following control problem of multiple nonlinear systems with directed communication topology and a leader. If the state of each system is measurable, distributed state feedback controllers are proposed using neighbours' state information with the aid of Lyapunov techniques and properties of Laplacian matrix for time-invariant communication graph and time-varying communication graph. It is shown that the state of each system exponentially converges to the state of a leader. If the state of each system is not measurable, distributed observer-based output feedback control laws are proposed. As an application of the proposed results, formation control of wheeled mobile robots is studied. The simulation results show the effectiveness of the proposed results.

Enabling Graph Mining in RDF Triplestores using SPARQL for Holistic In-situ Graph Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Sangkeun; Sukumar, Sreenivas R; Hong, Seokyong

The graph analysis is now considered as a promising technique to discover useful knowledge in data with a new perspective. We envi- sion that there are two dimensions of graph analysis: OnLine Graph Analytic Processing (OLGAP) and Graph Mining (GM) where each respectively focuses on subgraph pattern matching and automatic knowledge discovery in graph. Moreover, as these two dimensions aim to complementarily solve complex problems, holistic in-situ graph analysis which covers both OLGAP and GM in a single system is critical for minimizing the burdens of operating multiple graph systems and transferring intermediate result-sets between those systems. Nevertheless, most existingmore » graph analysis systems are only capable of one dimension of graph analysis. In this work, we take an approach to enabling GM capabilities (e.g., PageRank, connected-component analysis, node eccentricity, etc.) in RDF triplestores, which are originally developed to store RDF datasets and provide OLGAP capability. More specifically, to achieve our goal, we implemented six representative graph mining algorithms using SPARQL. The approach allows a wide range of available RDF data sets directly applicable for holistic graph analysis within a system. For validation of our approach, we evaluate performance of our implementations with nine real-world datasets and three different computing environments - a laptop computer, an Amazon EC2 instance, and a shared-memory Cray XMT2 URIKA-GD graph-processing appliance. The experimen- tal results show that our implementation can provide promising and scalable performance for real world graph analysis in all tested environments. The developed software is publicly available in an open-source project that we initiated.« less

Enabling Graph Mining in RDF Triplestores using SPARQL for Holistic In-situ Graph Analysis

DOE PAGES

Lee, Sangkeun; Sukumar, Sreenivas R; Hong, Seokyong; ...

2016-01-01

The graph analysis is now considered as a promising technique to discover useful knowledge in data with a new perspective. We envi- sion that there are two dimensions of graph analysis: OnLine Graph Analytic Processing (OLGAP) and Graph Mining (GM) where each respectively focuses on subgraph pattern matching and automatic knowledge discovery in graph. Moreover, as these two dimensions aim to complementarily solve complex problems, holistic in-situ graph analysis which covers both OLGAP and GM in a single system is critical for minimizing the burdens of operating multiple graph systems and transferring intermediate result-sets between those systems. Nevertheless, most existingmore » graph analysis systems are only capable of one dimension of graph analysis. In this work, we take an approach to enabling GM capabilities (e.g., PageRank, connected-component analysis, node eccentricity, etc.) in RDF triplestores, which are originally developed to store RDF datasets and provide OLGAP capability. More specifically, to achieve our goal, we implemented six representative graph mining algorithms using SPARQL. The approach allows a wide range of available RDF data sets directly applicable for holistic graph analysis within a system. For validation of our approach, we evaluate performance of our implementations with nine real-world datasets and three different computing environments - a laptop computer, an Amazon EC2 instance, and a shared-memory Cray XMT2 URIKA-GD graph-processing appliance. The experimen- tal results show that our implementation can provide promising and scalable performance for real world graph analysis in all tested environments. The developed software is publicly available in an open-source project that we initiated.« less

Counting the number of Feynman graphs in QCD

NASA Astrophysics Data System (ADS)

Kaneko, T.

2018-05-01

Information about the number of Feynman graphs for a given physical process in a given field theory is especially useful for confirming the result of a Feynman graph generator used in an automatic system of perturbative calculations. A method of counting the number of Feynman graphs with weight of symmetry factor was established based on zero-dimensional field theory, and was used in scalar theories and QED. In this article this method is generalized to more complicated models by direct calculation of generating functions on a computer algebra system. This method is applied to QCD with and without counter terms, where many higher order are being calculated automatically.

Dim target detection method based on salient graph fusion

NASA Astrophysics Data System (ADS)

Hu, Ruo-lan; Shen, Yi-yan; Jiang, Jun

2018-02-01

Dim target detection is one key problem in digital image processing field. With development of multi-spectrum imaging sensor, it becomes a trend to improve the performance of dim target detection by fusing the information from different spectral images. In this paper, one dim target detection method based on salient graph fusion was proposed. In the method, Gabor filter with multi-direction and contrast filter with multi-scale were combined to construct salient graph from digital image. And then, the maximum salience fusion strategy was designed to fuse the salient graph from different spectral images. Top-hat filter was used to detect dim target from the fusion salient graph. Experimental results show that proposal method improved the probability of target detection and reduced the probability of false alarm on clutter background images.

Finding Strong Bridges and Strong Articulation Points in Linear Time

NASA Astrophysics Data System (ADS)

Italiano, Giuseppe F.; Laura, Luigi; Santaroni, Federico

Given a directed graph G, an edge is a strong bridge if its removal increases the number of strongly connected components of G. Similarly, we say that a vertex is a strong articulation point if its removal increases the number of strongly connected components of G. In this paper, we present linear-time algorithms for computing all the strong bridges and all the strong articulation points of directed graphs, solving an open problem posed in [2].

Go With the Flow, on Jupiter and Snow. Coherence from Model-Free Video Data Without Trajectories

NASA Astrophysics Data System (ADS)

AlMomani, Abd AlRahman R.; Bollt, Erik

2018-06-01

Viewing a data set such as the clouds of Jupiter, coherence is readily apparent to human observers, especially the Great Red Spot, but also other great storms and persistent structures. There are now many different definitions and perspectives mathematically describing coherent structures, but we will take an image processing perspective here. We describe an image processing perspective inference of coherent sets from a fluidic system directly from image data, without attempting to first model underlying flow fields, related to a concept in image processing called motion tracking. In contrast to standard spectral methods for image processing which are generally related to a symmetric affinity matrix, leading to standard spectral graph theory, we need a not symmetric affinity which arises naturally from the underlying arrow of time. We develop an anisotropic, directed diffusion operator corresponding to flow on a directed graph, from a directed affinity matrix developed with coherence in mind, and corresponding spectral graph theory from the graph Laplacian. Our methodology is not offered as more accurate than other traditional methods of finding coherent sets, but rather our approach works with alternative kinds of data sets, in the absence of vector field. Our examples will include partitioning the weather and cloud structures of Jupiter, and a local to Potsdam, NY, lake effect snow event on Earth, as well as the benchmark test double-gyre system.

Humidity Graphs for All Seasons.

ERIC Educational Resources Information Center

Esmael, F.

1982-01-01

In a previous article in this journal (Vol. 17, p358, 1979), a wet-bulb depression table was recommended for two simple experiments to determine relative humidity. However, the use of a graph is suggested because it gives the relative humidity directly from the wet and dry bulb readings. (JN)

Architecture Aware Partitioning Algorithms

DTIC Science & Technology

2006-01-19

follows: Given a graph G = (V, E ), where V is the set of vertices, n = |V | is the number of vertices, and E is the set of edges in the graph, partition the...communication link l(pi, pj) is associated with a graph edge weight e ∗(pi, pj) that represents the communication cost per unit of communication between...one that is local for each one. For our model we assume that communication in either direction across a given link is the same, therefore e ∗(pi, pj

G-Hash: Towards Fast Kernel-based Similarity Search in Large Graph Databases.

PubMed

Wang, Xiaohong; Smalter, Aaron; Huan, Jun; Lushington, Gerald H

2009-01-01

Structured data including sets, sequences, trees and graphs, pose significant challenges to fundamental aspects of data management such as efficient storage, indexing, and similarity search. With the fast accumulation of graph databases, similarity search in graph databases has emerged as an important research topic. Graph similarity search has applications in a wide range of domains including cheminformatics, bioinformatics, sensor network management, social network management, and XML documents, among others.Most of the current graph indexing methods focus on subgraph query processing, i.e. determining the set of database graphs that contains the query graph and hence do not directly support similarity search. In data mining and machine learning, various graph kernel functions have been designed to capture the intrinsic similarity of graphs. Though successful in constructing accurate predictive and classification models for supervised learning, graph kernel functions have (i) high computational complexity and (ii) non-trivial difficulty to be indexed in a graph database.Our objective is to bridge graph kernel function and similarity search in graph databases by proposing (i) a novel kernel-based similarity measurement and (ii) an efficient indexing structure for graph data management. Our method of similarity measurement builds upon local features extracted from each node and their neighboring nodes in graphs. A hash table is utilized to support efficient storage and fast search of the extracted local features. Using the hash table, a graph kernel function is defined to capture the intrinsic similarity of graphs and for fast similarity query processing. We have implemented our method, which we have named G-hash, and have demonstrated its utility on large chemical graph databases. Our results show that the G-hash method achieves state-of-the-art performance for k-nearest neighbor (k-NN) classification. Most importantly, the new similarity measurement and the index structure is scalable to large database with smaller indexing size, faster indexing construction time, and faster query processing time as compared to state-of-the-art indexing methods such as C-tree, gIndex, and GraphGrep.

Communicating risk information: the influence of graphical display format on quantitative information perception-Accuracy, comprehension and preferences.

PubMed

Price, Melanie; Cameron, Rachel; Butow, Phyllis

2007-12-01

Statistical health risk information has proved notoriously confusing and difficult to understand. While past research indicates that presenting risk information in a frequency format is superior to relative risk and probability formats, the optimal characteristics of frequency formats are still unclear. The aim of this study is to determine the features of 1000 person frequency diagrams (pictographs) which result in the greatest speed and accuracy of graphical perception. Participants estimated the difference in chance of survival when taking or not taking Drug A, on a pictograph format, varying by mode (one-graph/two-graph), direction (vertical/horizontal), and shading (shaded/unshaded), and their preferences for the different formats. Their understanding of different components of the 1000 person diagram was assessed. Responses were timed and scored for accuracy. Horizontal pictographs were perceived faster and more accurately than vertical formats. Two-graph pictographs were perceived faster than one-graph formats. Shading reduced response time in two-graph formats, but increased response times in one-graph formats. Shaded and one-graph pictographs were preferred. As shading and one-graph formats were preferred, further clarification as to why shading negatively impacts on response times in the one-graph format is warranted. Horizontal pictographs are optimal.

Engineering acyclic stereocontrol in the alkylation of vinylglycine-derived dianions: asymmetric synthesis of higher alpha-vinyl amino acids.

PubMed

Berkowitz, D B; McFadden, J M; Sloss, M K

2000-05-19

A generalizable synthesis of higher L-alpha-vinyl amino acids is presented. The strategy pursued here involves the introduction of the amino acid side chain via the alkylation of a chiral, vinylglycine-derived dianionic dienolate, bearing the (-)-8-(beta-naphthyl)menthyl (d'Angelo) auxiliary. A model is presented that postulates a favored "exo-entended" conformation for this dienolate, leading to C(alpha)-alkylation at the si face. The model invokes internal amidate chelation to control ester enolate geometry and soft-soft interactions between the polarizable beta-naphthyl ring of the auxiliary and the extended pi-system of the dienolate to shield the re face. Heats of formation for four conformers of this dianion were calculated for their semiempirical optimized geometries (PM3). The results support the notion that in these vinylglycine-derived dianionic dienolates, "exo" conformations are considerable lower in energy than their "endo" counterparts, with the "exo-entended" conformation being most favorable. In fact, the d'Angelo auxiliary gives a greater degree of acyclic stereocontrol in this system when compared with the (-)-8-phenylmenthyl (Corey) and trans-2-(beta-naphthyl)cyclohexyl auxiliaries, using isobutyl iodide and benzyl bromide as model electrophiles. These dianions are generated from the corresponding dehydrobutyrine esters via sequential deprotonation with LDA and n-BuLi (2 equiv). When alkylations are carried out at -78 degrees C in THF-HMPA, they proceed in 65-81% yields, with both regiocontrol (deconjugative alpha-alkylation is preferred over gamma-alkylation) and a great degree of acyclic stereocontrol [91:9 to >/=98:2 diastereomeric ratios (10 examples)]. The auxiliary may be recovered in high yield (generally 90%) using a modification of Gassman's "anhydrous hydroxide" conditions, in which considerably higher temperatures are employed. Among the side chains introduced directly are those of butyrine, leucine, ornithine, phenylalanine, aspartate, valine, and norvaline. The lysine side chain is elaborated via a 4-step sequence from the alkylation product obtained with 1-chloro-4-iodobutane as electrophile. Importantly, to our knowledge, this work represents the first asymmetric synthesis of L-alpha-vinyl analogues of m-tyrosine, ornithine, and lysine, known time-dependent inhibitors for amino acid decarboxylases.

NATbox: a network analysis toolbox in R.

PubMed

Chavan, Shweta S; Bauer, Michael A; Scutari, Marco; Nagarajan, Radhakrishnan

2009-10-08

There has been recent interest in capturing the functional relationships (FRs) from high-throughput assays using suitable computational techniques. FRs elucidate the working of genes in concert as a system as opposed to independent entities hence may provide preliminary insights into biological pathways and signalling mechanisms. Bayesian structure learning (BSL) techniques and its extensions have been used successfully for modelling FRs from expression profiles. Such techniques are especially useful in discovering undocumented FRs, investigating non-canonical signalling mechanisms and cross-talk between pathways. The objective of the present study is to develop a graphical user interface (GUI), NATbox: Network Analysis Toolbox in the language R that houses a battery of BSL algorithms in conjunction with suitable statistical tools for modelling FRs in the form of acyclic networks from gene expression profiles and their subsequent analysis. NATbox is a menu-driven open-source GUI implemented in the R statistical language for modelling and analysis of FRs from gene expression profiles. It provides options to (i) impute missing observations in the given data (ii) model FRs and network structure from gene expression profiles using a battery of BSL algorithms and identify robust dependencies using a bootstrap procedure, (iii) present the FRs in the form of acyclic graphs for visualization and investigate its topological properties using network analysis metrics, (iv) retrieve FRs of interest from published literature. Subsequently, use these FRs as structural priors in BSL (v) enhance scalability of BSL across high-dimensional data by parallelizing the bootstrap routines. NATbox provides a menu-driven GUI for modelling and analysis of FRs from gene expression profiles. By incorporating readily available functions from existing R-packages, it minimizes redundancy and improves reproducibility, transparency and sustainability, characteristic of open-source environments. NATbox is especially suited for interdisciplinary researchers and biologists with minimal programming experience and would like to use systems biology approaches without delving into the algorithmic aspects. The GUI provides appropriate parameter recommendations for the various menu options including default parameter choices for the user. NATbox can also prove to be a useful demonstration and teaching tool in graduate and undergraduate course in systems biology. It has been tested successfully under Windows and Linux operating systems. The source code along with installation instructions and accompanying tutorial can be found at http://bioinformatics.ualr.edu/natboxWiki/index.php/Main_Page.

Climatic Zones, Soil Moisture Seasonality and Biomass Burning and Their Influence On Ozone Precursor Concentrations Over West Africa as Retrieved from Satellites

NASA Astrophysics Data System (ADS)

Onojeghuo, A. R.; Balzter, H.; Monks, P. S.

2015-12-01

West Africa is a region with six different climatic zones including a rich savannah affected by biomass burning annually, the Niger delta oil producing region with major gas flaring sites and a long coastline. Research on atmospheric pollution using remotely sensed data over West Africa has mostly been conducted at regional scale or for individual countries, with little emphasis on the dynamics of climatic zones and the diversity of land cover types. This study analyses annual seasonal dynamics of emissions of two ozone precursors stratified by climatic zone: nitrogen dioxide (NO2) from OMI and carbon monoxide (CO) from TES. The different sources of these pollutants and their seasonality are explicitly considered. Results indicate that the highest annual wet season NO2 column concentrations were in the semi-arid zone (1.33 x 1015 molecules cm-2) after prolonged periods of low soil moisture while the highest dry season were observed in the wet sub-humid zone (2.62 x 1015 molecules cm-2) where the savannah fires occur annually. The highest annual CO concentrations (> 3.1 x 1018 molecules cm-2) were from the Niger Delta, located in the humid zone. There were indications of atmospheric transport of CO from the southern hemisphere in the west season. Climate change induced soil moisture variability was most prominent in the dry sub-humid and semi-arid climatic zones (±0.015m3m-3) . The causal effects of soil moisture variability on NO2 emissions and their seasonal cycles were tested using the Granger causality test. Causal effects of inter-zonal exchanges/transport of NO2 and CO emissions respectively were inferred using Directed Acyclic Graphs. The results indicate that NO2, CO and their seasonal ratios are strongly affected by changes in soil moisture.

Characterising bias in regulatory risk and decision analysis: An analysis of heuristics applied in health technology appraisal, chemicals regulation, and climate change governance.

PubMed

MacGillivray, Brian H

2017-08-01

In many environmental and public health domains, heuristic methods of risk and decision analysis must be relied upon, either because problem structures are ambiguous, reliable data is lacking, or decisions are urgent. This introduces an additional source of uncertainty beyond model and measurement error - uncertainty stemming from relying on inexact inference rules. Here we identify and analyse heuristics used to prioritise risk objects, to discriminate between signal and noise, to weight evidence, to construct models, to extrapolate beyond datasets, and to make policy. Some of these heuristics are based on causal generalisations, yet can misfire when these relationships are presumed rather than tested (e.g. surrogates in clinical trials). Others are conventions designed to confer stability to decision analysis, yet which may introduce serious error when applied ritualistically (e.g. significance testing). Some heuristics can be traced back to formal justifications, but only subject to strong assumptions that are often violated in practical applications. Heuristic decision rules (e.g. feasibility rules) in principle act as surrogates for utility maximisation or distributional concerns, yet in practice may neglect costs and benefits, be based on arbitrary thresholds, and be prone to gaming. We highlight the problem of rule-entrenchment, where analytical choices that are in principle contestable are arbitrarily fixed in practice, masking uncertainty and potentially introducing bias. Strategies for making risk and decision analysis more rigorous include: formalising the assumptions and scope conditions under which heuristics should be applied; testing rather than presuming their underlying empirical or theoretical justifications; using sensitivity analysis, simulations, multiple bias analysis, and deductive systems of inference (e.g. directed acyclic graphs) to characterise rule uncertainty and refine heuristics; adopting "recovery schemes" to correct for known biases; and basing decision rules on clearly articulated values and evidence, rather than convention. Copyright © 2017. Published by Elsevier Ltd.

Associations of life course socioeconomic position and job stress with carotid intima-media thickness. The Brazilian Longitudinal Study of Adult Health (ELSA-Brasil).

PubMed

Camelo, Lidyane V; Giatti, Luana; Chor, Dóra; Griep, Rosane Härter; Benseñor, Isabela M; Santos, Itamar S; Kawachi, Ichiro; Barreto, Sandhi Maria

2015-09-01

The association between life course socioeconomic position (SEP) and subclinical atherosclerosis is not consistent across studies. Socioeconomic adversities early in life are related to an increased probability of a low occupational grade and more stressful jobs in adulthood. However, the role of job stress in explaining the life course social gradient in subclinical atherosclerosis is unknown. To examine whether life course SEP is associated with carotid intima-media thickness (IMT) and to investigate whether this association is partially mediated by job stress. This study used baseline data (2008-2010) for 8806 current workers from ELSA-Brasil. Maternal education, social class of first occupation and social class of current occupation were used to evaluate childhood, youth and adulthood SEP, respectively. Accumulation of risk across the life course was also evaluated. Job stress was assessed by the Swedish Demand-Control-Support Questionnaire. Directed acyclic graph and linear regression models were used. Low childhood SEP was associated with increased IMT only in women, but low youth and adulthood SEP were associated with higher IMT in both genders. The simultaneous adjustment for all SEP indicators showed that only adulthood SEP continued to be associated with IMT. However, higher IMT values were observed among men and women sequentially exposed to low SEP in more than one period of life. High-strain jobs and low job control were not associated with IMT independent of SEP. Our results support a model of the cumulative effects of exposures to SEP across the life span because the highest IMT values were observed in individuals sequentially exposed to low SEP in more than one period of life. We did not find that job stress explained the association between life course SEP and IMT, suggesting that strategies to address socioeconomic inequalities in CVD should target additional steps beyond reducing job stress. Copyright © 2015 Elsevier Ltd. All rights reserved.

Causal inference between bioavailability of heavy metals and environmental factors in a large-scale region.

PubMed

Liu, Yuqiong; Du, Qingyun; Wang, Qi; Yu, Huanyun; Liu, Jianfeng; Tian, Yu; Chang, Chunying; Lei, Jing

2017-07-01

The causation between bioavailability of heavy metals and environmental factors are generally obtained from field experiments at local scales at present, and lack sufficient evidence from large scales. However, inferring causation between bioavailability of heavy metals and environmental factors across large-scale regions is challenging. Because the conventional correlation-based approaches used for causation assessments across large-scale regions, at the expense of actual causation, can result in spurious insights. In this study, a general approach framework, Intervention calculus when the directed acyclic graph (DAG) is absent (IDA) combined with the backdoor criterion (BC), was introduced to identify causation between the bioavailability of heavy metals and the potential environmental factors across large-scale regions. We take the Pearl River Delta (PRD) in China as a case study. The causal structures and effects were identified based on the concentrations of heavy metals (Zn, As, Cu, Hg, Pb, Cr, Ni and Cd) in soil (0-20 cm depth) and vegetable (lettuce) and 40 environmental factors (soil properties, extractable heavy metals and weathering indices) in 94 samples across the PRD. Results show that the bioavailability of heavy metals (Cd, Zn, Cr, Ni and As) was causally influenced by soil properties and soil weathering factors, whereas no causal factor impacted the bioavailability of Cu, Hg and Pb. No latent factor was found between the bioavailability of heavy metals and environmental factors. The causation between the bioavailability of heavy metals and environmental factors at field experiments is consistent with that on a large scale. The IDA combined with the BC provides a powerful tool to identify causation between the bioavailability of heavy metals and environmental factors across large-scale regions. Causal inference in a large system with the dynamic changes has great implications for system-based risk management. Copyright © 2017 Elsevier Ltd. All rights reserved.

Deconstructing the smoking-preeclampsia paradox through a counterfactual framework.

PubMed

Luque-Fernandez, Miguel Angel; Zoega, Helga; Valdimarsdottir, Unnur; Williams, Michelle A

2016-06-01

Although smoking during pregnancy may lead to many adverse outcomes, numerous studies have reported a paradoxical inverse association between maternal cigarette smoking during pregnancy and preeclampsia. Using a counterfactual framework we aimed to explore the structure of this paradox as being a consequence of selection bias. Using a case-control study nested in the Icelandic Birth Registry (1309 women), we show how this selection bias can be explored and corrected for. Cases were defined as any case of pregnancy induced hypertension or preeclampsia occurring after 20 weeks' gestation and controls as normotensive mothers who gave birth in the same year. First, we used directed acyclic graphs to illustrate the common bias structure. Second, we used classical logistic regression and mediation analytic methods for dichotomous outcomes to explore the structure of the bias. Lastly, we performed both deterministic and probabilistic sensitivity analysis to estimate the amount of bias due to an uncontrolled confounder and corrected for it. The biased effect of smoking was estimated to reduce the odds of preeclampsia by 28 % (OR 0.72, 95 %CI 0.52, 0.99) and after stratification by gestational age at delivery (<37 vs. ≥37 gestation weeks) by 75 % (OR 0.25, 95 %CI 0.10, 0.68). In a mediation analysis, the natural indirect effect showed and OR > 1, revealing the structure of the paradox. The bias-adjusted estimation of the smoking effect on preeclampsia showed an OR of 1.22 (95 %CI 0.41, 6.53). The smoking-preeclampsia paradox appears to be an example of (1) selection bias most likely caused by studying cases prevalent at birth rather than all incident cases from conception in a pregnancy cohort, (2) omitting important confounders associated with both smoking and preeclampsia (preventing the outcome to develop) and (3) controlling for a collider (gestation weeks at delivery). Future studies need to consider these aspects when studying and interpreting the association between smoking and pregnancy outcomes.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolf, M.; Mascheroni, M.; Woodard, A.

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 distributemore » 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.« less

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

NASA Astrophysics Data System (ADS)

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.

Determinants of postnatal depression in Sudanese women at 3 months postpartum: a cross-sectional study

PubMed Central

Khalifa, Dina Sami; Glavin, Kari; Bjertness, Espen; Lien, Lars

2016-01-01

Objectives Maternal mental health is a neglected issue in Sudanese healthcare. The aim of this study was to explore the factors associated with postnatal depression (PND) at 3 months postpartum in a sample of Sudanese women in Khartoum state. Setting Recruitment was from two major public antenatal care (ANC) clinics in two maternity teaching hospitals in Khartoum state. The study participants were recruited during their pregnancy and were followed up and screened for PND at 3 months postpartum using the Edinburgh Postnatal Depression Scale (EPDS). Participants A sample of 300 pregnant Sudanese women in their second or third trimester was included in the study. The inclusion criteria were Sudanese nationality, pregnancy in the second or third trimester and satisfactory contact information. Outcome measures PND was assessed using the EPDS at a cut-off score of ≥12. Maternal and sociodemographic factors of interest were illustrated in a directed acyclic graph (DAG) to identify which variables to adjust for in multivariate analyses and to show their type of effect on PND. A forward logistic regression model was built to assess the factors that are independently associated with PND. Results History of violence increased the odds of PND sevenfold, OR=7.4 (95% CI 1.9 to 27.6). Older age of mothers decreased the odds of PND by almost 20%, OR=0.82 (95% CI 0.73 to 0.92). Exclusive breast feeding and regular prenatal vitamins during pregnancy are associated with an 80% decrease in odds of PND, OR=0.2 (95% CI 0.06 to 0.70) and 0.17 (95% CI 0.06 to 0.5), respectively. Conclusions Factors associated with PND in this study are comparable to factors from other developing countries, although findings should be judged with caution owing to the high number of women who refused recruitment into the study. PMID:26966055

Using Observational Data to Estimate the Effect of Hand Washing and Clean Delivery Kit Use by Birth Attendants on Maternal Deaths after Home Deliveries in Rural Bangladesh, India and Nepal

PubMed Central

Seward, Nadine; Prost, Audrey; Copas, Andrew; Corbin, Marine; Li, Leah; Colbourn, Tim; Osrin, David; Neuman, Melissa; Azad, Kishwar; Kuddus, Abdul; Nair, Nirmala; Tripathy, Prasanta; Manandhar, Dharma; Costello, Anthony; Cortina-Borja, Mario

2015-01-01

Background Globally, puerperal sepsis accounts for an estimated 8–12% of maternal deaths, but evidence is lacking on the extent to which clean delivery practices could improve maternal survival. We used data from the control arms of four cluster-randomised controlled trials conducted in rural India, Bangladesh and Nepal, to examine associations between clean delivery kit use and hand washing by the birth attendant with maternal mortality among home deliveries. Methods We tested associations between clean delivery practices and maternal deaths, using a pooled dataset for 40,602 home births across sites in the three countries. Cross-sectional data were analysed by fitting logistic regression models with and without multiple imputation, and confounders were selected a priori using causal directed acyclic graphs. The robustness of estimates was investigated through sensitivity analyses. Results Hand washing was associated with a 49% reduction in the odds of maternal mortality after adjusting for confounding factors (adjusted odds ratio (AOR) 0.51, 95% CI 0.28–0.93). The sensitivity analysis testing the missing at random assumption for the multiple imputation, as well as the sensitivity analysis accounting for possible misclassification bias in the use of clean delivery practices, indicated that the association between hand washing and maternal death had been over estimated. Clean delivery kit use was not associated with a maternal death (AOR 1.26, 95% CI 0.62–2.56). Conclusions Our evidence suggests that hand washing in delivery is critical for maternal survival among home deliveries in rural South Asia, although the exact magnitude of this effect is uncertain due to inherent biases associated with observational data from low resource settings. Our findings indicating kit use does not improve maternal survival, suggests that the soap is not being used in all instances that kit use is being reported. PMID:26295838

Real-time multiple human perception with color-depth cameras on a mobile robot.

PubMed

Zhang, Hao; Reardon, Christopher; Parker, Lynne E

2013-10-01

The ability to perceive humans is an essential requirement for safe and efficient human-robot interaction. In real-world applications, the need for a robot to interact in real time with multiple humans in a dynamic, 3-D environment presents a significant challenge. The recent availability of commercial color-depth cameras allow for the creation of a system that makes use of the depth dimension, thus enabling a robot to observe its environment and perceive in the 3-D space. Here we present a system for 3-D multiple human perception in real time from a moving robot equipped with a color-depth camera and a consumer-grade computer. Our approach reduces computation time to achieve real-time performance through a unique combination of new ideas and established techniques. We remove the ground and ceiling planes from the 3-D point cloud input to separate candidate point clusters. We introduce the novel information concept, depth of interest, which we use to identify candidates for detection, and that avoids the computationally expensive scanning-window methods of other approaches. We utilize a cascade of detectors to distinguish humans from objects, in which we make intelligent reuse of intermediary features in successive detectors to improve computation. Because of the high computational cost of some methods, we represent our candidate tracking algorithm with a decision directed acyclic graph, which allows us to use the most computationally intense techniques only where necessary. We detail the successful implementation of our novel approach on a mobile robot and examine its performance in scenarios with real-world challenges, including occlusion, robot motion, nonupright humans, humans leaving and reentering the field of view (i.e., the reidentification challenge), human-object and human-human interaction. We conclude with the observation that the incorporation of the depth information, together with the use of modern techniques in new ways, we are able to create an accurate system for real-time 3-D perception of humans by a mobile robot.

A Bayesian Method for Evaluating and Discovering Disease Loci Associations

PubMed Central

Jiang, Xia; Barmada, M. Michael; Cooper, Gregory F.; Becich, Michael J.

2011-01-01

Background A genome-wide association study (GWAS) typically involves examining representative SNPs in individuals from some population. A GWAS data set can concern a million SNPs and may soon concern billions. Researchers investigate the association of each SNP individually with a disease, and it is becoming increasingly commonplace to also analyze multi-SNP associations. Techniques for handling so many hypotheses include the Bonferroni correction and recently developed Bayesian methods. These methods can encounter problems. Most importantly, they are not applicable to a complex multi-locus hypothesis which has several competing hypotheses rather than only a null hypothesis. A method that computes the posterior probability of complex hypotheses is a pressing need. Methodology/Findings We introduce the Bayesian network posterior probability (BNPP) method which addresses the difficulties. The method represents the relationship between a disease and SNPs using a directed acyclic graph (DAG) model, and computes the likelihood of such models using a Bayesian network scoring criterion. The posterior probability of a hypothesis is computed based on the likelihoods of all competing hypotheses. The BNPP can not only be used to evaluate a hypothesis that has previously been discovered or suspected, but also to discover new disease loci associations. The results of experiments using simulated and real data sets are presented. Our results concerning simulated data sets indicate that the BNPP exhibits both better evaluation and discovery performance than does a p-value based method. For the real data sets, previous findings in the literature are confirmed and additional findings are found. Conclusions/Significance We conclude that the BNPP resolves a pressing problem by providing a way to compute the posterior probability of complex multi-locus hypotheses. A researcher can use the BNPP to determine the expected utility of investigating a hypothesis further. Furthermore, we conclude that the BNPP is a promising method for discovering disease loci associations. PMID:21853025

Representing k-graphs as Matrix Algebras

NASA Astrophysics Data System (ADS)

Rosjanuardi, R.

2018-05-01

For any commutative unital ring R and finitely aligned k-graph Λ with |Λ| < ∞ without cycles, we can realise Kumjian-Pask algebra KP R (Λ) as a direct sum of of matrix algebra over some vertices v with properties ν = νΛ, i.e: ⊕ νΛ=ν M |Λv|(R). When there is only a single vertex ν ∈ Λ° such that ν = νΛ, we can realise the Kumjian-Pask algebra as the matrix algebra M |ΛV|(R). Hence the matrix algebra M |vΛ|(R) can be regarded as a representation of the k-graph Λ. In this talk we will figure out the relation between finitely aligned k-graph and matrix algebra.

Catalytic conversion of alcohols having at least three carbon atoms to hydrocarbon blendstock

DOEpatents

Narula, Chaitanya K.; Davison, Brian H.

2018-04-17

A method for producing a hydrocarbon blendstock, the method comprising contacting at least one saturated acyclic alcohol having at least three and up to ten carbon atoms with a metal-loaded zeolite catalyst at a temperature of at least 100.degree. C. and up to 550.degree. C., wherein the metal is a positively-charged metal ion, and the metal-loaded zeolite catalyst is catalytically active for converting the alcohol to the hydrocarbon blendstock, wherein the method directly produces a hydrocarbon blendstock having less than 1 vol % ethylene and at least 35 vol % of hydrocarbon compounds containing at least eight carbon atoms.

Catalytic conversion of alcohols having at least three carbon atoms to hydrocarbon blendstock

DOEpatents

Narula, Chaitanya K.; Davison, Brian H.

2015-11-13

A method for producing a hydrocarbon blendstock, the method comprising contacting at least one saturated acyclic alcohol having at least three and up to ten carbon atoms with a metal-loaded zeolite catalyst at a temperature of at least 100°C and up to 550°C, wherein the metal is a positively-charged metal ion, and the metal-loaded zeolite catalyst is catalytically active for converting the alcohol to the hydrocarbon blendstock, wherein the method directly produces a hydrocarbon blendstock having less than 1 vol % ethylene and at least 35 vol % of hydrocarbon compounds containing at least eight carbon atoms.

In vitro and direct in vivo testing of mixture-based combinatorial libraries for the identification of highly active and specific opiate ligands.

PubMed

Houghten, Richard A; Dooley, Colette T; Appel, Jon R

2006-05-26

The use of combinatorial libraries for the identification of novel opiate and related ligands in opioid receptor assays is reviewed. Case studies involving opioid assays used to demonstrate the viability of combinatorial libraries are described. The identification of new opioid peptides composed of L-amino acids, D-amino acids, or L-, D-, and unnatural amino acids is reviewed. New opioid compounds have also been identified from peptidomimetic libraries, such as peptoids and alkylated dipeptides, and those identified from acyclic (eg, polyamine, urea) and heterocyclic (eg, bicyclic guanidine) libraries are reviewed.

Amino acids of the Murchison meteorite. II - Five carbon acyclic primary beta-, gamma-, and delta-amino alkanoic acids

NASA Technical Reports Server (NTRS)

Cronin, J. R.; Pizzarello, S.; Yuen, G. U.

1985-01-01

The five-carbon acyclic primary beta, gamma, and delta amino alkanoic acids of the Murchison meteorite are studied using gas chromatography-mass spectrometry and ion exchange chromatography. The chromatograms reveal that alpha is the most abundant monoamino alkanoic acid followed by gamma and beta, and an exponential increase in the amount of amino acid is observed as the carbon number increases in the homologous series. The influence of frictional heating, spontaneous thermal decomposition, and radiation of the synthesis of amino acids is examined. The data obtained support an amino acid synthesis process involving random combination of single-carbon precursors.

Synthesis and antimicrobial activity of new 1-[(tetrazol-5-yl)methyl] indole derivatives, their 1,2,4-triazole thioglycosides and acyclic analogs.

PubMed

El-Sayed, Weal A; Abdel Megeid, Randa E; Abbas, Hebat-Allah S

2011-07-01

New 1-[(tetrazol-5-yl)methyl]indole derivatives, their acyclic nucleoside analogs and the corresponding glycoside derivatives were synthesized. Furthermore, the [)(1,2,4-triazol-3-yl)methyl])-2H-tetrazole derivative as well as the corresponding thioglucoside were prepared. The synthesized compounds were tested for their antimicrobial activity against Aspergillus Niger, Penicillium sp, Candida albican, Bacillus subtilis, Streptococcus lacti, Escherichia coli, Pseudomonas sp., and streptomyces sp. Compounds 3, 5 and 19b exhibited potent antibacterial activity and compounds 4, 5 and 10 exhibited high activities against the tested fungi compared with fusidic acid.

Structure-Activity Relationships of Acyclic Selenopurine Nucleosides as Antiviral Agents.

PubMed

Sahu, Pramod K; Umme, Tamima; Yu, Jinha; Kim, Gyudong; Qu, Shuhao; Naik, Siddhi D; Jeong, Lak Shin

2017-07-12

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 (EC 50 = 1.47 µM) and HSV-2 (EC 50 = 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 ).

Organobase catalyzed 1,4-conjugate addition of 4-hydroxycoumarin on chalcones: Synthesis, NMR and single-crystal X-ray diffraction studies of novel warfarin analogues

NASA Astrophysics Data System (ADS)

Talhi, Oualid; Fernandes, José A.; Pinto, Diana C. G. A.; Almeida Paz, Filipe A.; Silva, Artur M. S.

2015-08-01

The synthesis of a new series of warfarin analogues by convenient organobase catalyzed 1,4-conjugate addition of 4-hydroxycoumarin to chalcone derivatives is described. 1H NMR spectroscopy evidenced the presence of a predominant acyclic open-form together with the cyclic hemiketal tautomers of the resulting Michael adducts. The acyclic open-form has been unequivocally proved by single-crystal X-ray diffraction analysis. The use of the B ring ortho-hydroxychalcone synthons in this reaction has led to a diastereoselective synthesis of warfarin bicyclo[3.3.1]nonane ketal derivatives.

Catalytic asymmetric ring-opening of meso-aziridines with malonates under heterodinuclear rare earth metal Schiff base catalysis.

PubMed

Xu, Yingjie; Lin, Luqing; Kanai, Motomu; Matsunaga, Shigeki; Shibasaki, Masakatsu

2011-04-20

Catalytic asymmetric ring-opening of meso-aziridines with malonates is described. The combined use of two rare earth metal sources with different properties promoted the desired ring-opening reaction. A 1:1:1 mixture of a heterobimetallic La(O-iPr)(3)/Yb(OTf)(3)/Schiff base 1a (0.25-10 mol %) efficiently promoted the reaction of five-, six-, and seven-membered ring cyclic meso-aziridines as well as acyclic meso-aziridines with dimethyl, diethyl, and dibenzyl malonates, giving chiral cyclic and acyclic γ-amino esters in 99-63% yield and >99.5-97% ee.

Next generation macrocyclic and acyclic cationic lipids for gene transfer: Synthesis and in vitro evaluation.

PubMed

Jubeli, Emile; Maginty, Amanda B; Abdul Khalique, Nada; Raju, Liji; Abdulhai, Mohamad; Nicholson, David G; Larsen, Helge; Pungente, Michael D; Goldring, William P D

2015-10-01

Previously we reported the synthesis and in vitro evaluation of four novel, short-chain cationic lipid gene delivery vectors, characterized by acyclic or macrocyclic hydrophobic regions composed of, or derived from, two 7-carbon chains. Herein we describe a revised synthesis of an expanded library of related cationic lipids to include extended chain analogues, their formulation with plasmid DNA (pDNA) and in vitro delivery into Chinese hamster ovarian (CHO-K1) cells. The formulations were evaluated against each other based on structural differences in the hydrophobic domain and headgroup. Structurally the library is divided into four sets based on lipids derived from two 7- or two 11-carbon hydrophobic chains, C7 and C11 respectively, which possess either a dimethylamine or a trimethylamine derived headgroup. Each set includes four cationic lipids based on an acyclic or macrocyclic, saturated or unsaturated hydrophobic domain. All lipids were co-formulated with the commercial cationic lipid 1,2-dimyristoyl-sn-glycero-3-ethylphosphocholine (EPC) in a 1:1 molar ratio, along with one of two distinct neutral co-lipids, cholesterol or 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) in an overall cationic-to-neutral lipid molar ratio of 3:2. Binding of lipid formulations with DNA, and packing morphology associated with the individual lipid-DNA complexes were characterized by gel electrophoresis and small angle X-ray diffraction (SAXD), respectively. As a general trend, lipoplex formulations based on mismatched binary cationic lipids, composed of a shorter C7 lipid and the longer lipid EPC (C14), were generally associated with higher transfection efficiency and lower cytotoxicity than their more closely matched C11/EPC binary lipid formulation counterparts. Furthermore, the cyclic lipids gave transfection levels as high as or greater than their acyclic counterparts, and formulations with cholesterol exhibited higher transfection and lower cytotoxicity than those formulated with DOPE. A number of the lipid formulations with cholesterol as co-lipid performed as well as, or better than Lipofectamine 2000™ and EPC, the two positive controls employed in these studies. These results suggest that our novel cyclic and acyclic cationic lipid vectors are effective nonviral gene transfer agents that warrant further investigation. Copyright © 2015 Elsevier Ltd. All rights reserved.

The atu and liu clusters are involved in the catabolic pathways for acyclic monoterpenes and leucine in Pseudomonas aeruginosa.

PubMed

Aguilar, J A; Zavala, A N; Díaz-Pérez, C; Cervantes, C; Díaz-Pérez, A L; Campos-García, J

2006-03-01

Evidence suggests that the Pseudomonas aeruginosa PAO1 gnyRDBHAL cluster, which is involved in acyclic isoprenoid degradation (A. L. Díaz-Pérez, N. A. Zavala-Hernández, C. Cervantes, and J. Campos-García, Appl. Environ. Microbiol. 70:5102-5110, 2004), corresponds to the liuRABCDE cluster (B. Hoschle, V. Gnau, and D. Jendrossek, Microbiology 151:3649-3656, 2005). A liu (leucine and isovalerate utilization) homolog cluster was found in the PAO1 genome and is related to the catabolism of acyclic monoterpenes of the citronellol family (AMTC); it was named the atu cluster (acyclic terpene utilization), consisting of the atuCDEF genes and lacking the hydroxymethyl-glutaryl-coenzyme A (CoA) lyase (HMG-CoA lyase) homolog. Mutagenesis of the atu and liu clusters showed that both are involved in AMTC and leucine catabolism by encoding the enzymes related to the geranyl-CoA and the 3-methylcrotonyl-CoA pathways, respectively. Intermediary metabolites of the acyclic monoterpene pathway, citronellic and geranic acids, were accumulated, and leucine degradation rates were affected in both atuF and liuD mutants. The alpha subunit of geranyl-CoA carboxylase and the alpha subunit of 3-methylcrotonyl-CoA carboxylase (alpha-MCCase), encoded by the atuF and liuD genes, respectively, were both induced by citronellol, whereas only the alpha-MCCase subunit was induced by leucine. Both citronellol and leucine also induced a LacZ transcriptional fusion at the liuB gene. The liuE gene encodes a probable hydroxy-acyl-CoA lyase (probably HMG-CoA lyase), an enzyme with bifunctional activity that is essential for both AMTC and leucine degradation. P. aeruginosa PAO1 products encoded by the liuABCD cluster showed a higher sequence similarity (77.2 to 79.5%) with the probable products of liu clusters from several Pseudomonas species than with the atuCDEF cluster from PAO1 (41.5%). Phylogenetic studies suggest that the atu cluster from P. aeruginosa could be the result of horizontal transfer from Alphaproteobacteria. Our results suggest that the atu and liu clusters are bifunctional operons involved in both the AMTC and leucine catabolic pathways.

Query optimization for graph analytics on linked data using SPARQL

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Seokyong; Lee, Sangkeun; Lim, Seung -Hwan

2015-07-01

Triplestores that support query languages such as SPARQL are emerging as the preferred and scalable solution to represent data and meta-data as massive heterogeneous graphs using Semantic Web standards. With increasing adoption, the desire to conduct graph-theoretic mining and exploratory analysis has also increased. Addressing that desire, this paper presents a solution that is the marriage of Graph Theory and the Semantic Web. We present software that can analyze Linked Data using graph operations such as counting triangles, finding eccentricity, testing connectedness, and computing PageRank directly on triple stores via the SPARQL interface. We describe the process of optimizing performancemore » of the SPARQL-based implementation of such popular graph algorithms by reducing the space-overhead, simplifying iterative complexity and removing redundant computations by understanding query plans. Our optimized approach shows significant performance gains on triplestores hosted on stand-alone workstations as well as hardware-optimized scalable supercomputers such as the Cray XMT.« less

Asymmetry in search.

PubMed

Kaindl, H; Kainz, G; Radda, K

2001-01-01

Most of the work on search in artificial intelligence (AI) deals with one search direction only-mostly forward search-although it is known that a structural asymmetry of the search graph causes differences in the efficiency of searching in the forward or the backward direction, respectively. In the case of symmetrical graph structure, however, current theory would not predict such differences in efficiency. In several classes of job sequencing problems, we observed a phenomenon of asymmetry in search that relates to the distribution of the are costs in the search graph. This phenomenon can be utilized for improving the search efficiency by a new algorithm that automatically selects the search direction. We demonstrate fur a class of job sequencing problems that, through the utilization of this phenomenon, much more difficult problems can be solved-according to our best knowledge-than by the best published approach, and on the same problems, the running time is much reduced. As a consequence, we propose to check given problems for asymmetrical distribution of are costs that may cause asymmetry in search.

Solving a Hamiltonian Path Problem with a bacterial computer

PubMed Central

Baumgardner, Jordan; Acker, Karen; Adefuye, Oyinade; Crowley, Samuel Thomas; DeLoache, Will; Dickson, James O; Heard, Lane; Martens, Andrew T; Morton, Nickolaus; Ritter, Michelle; Shoecraft, Amber; Treece, Jessica; Unzicker, Matthew; Valencia, Amanda; Waters, Mike; Campbell, A Malcolm; Heyer, Laurie J; Poet, Jeffrey L; Eckdahl, Todd T

2009-01-01

Background The Hamiltonian Path Problem asks whether there is a route in a directed graph from a beginning node to an ending node, visiting each node exactly once. The Hamiltonian Path Problem is NP complete, achieving surprising computational complexity with modest increases in size. This challenge has inspired researchers to broaden the definition of a computer. DNA computers have been developed that solve NP complete problems. Bacterial computers can be programmed by constructing genetic circuits to execute an algorithm that is responsive to the environment and whose result can be observed. Each bacterium can examine a solution to a mathematical problem and billions of them can explore billions of possible solutions. Bacterial computers can be automated, made responsive to selection, and reproduce themselves so that more processing capacity is applied to problems over time. Results We programmed bacteria with a genetic circuit that enables them to evaluate all possible paths in a directed graph in order to find a Hamiltonian path. We encoded a three node directed graph as DNA segments that were autonomously shuffled randomly inside bacteria by a Hin/hixC recombination system we previously adapted from Salmonella typhimurium for use in Escherichia coli. We represented nodes in the graph as linked halves of two different genes encoding red or green fluorescent proteins. Bacterial populations displayed phenotypes that reflected random ordering of edges in the graph. Individual bacterial clones that found a Hamiltonian path reported their success by fluorescing both red and green, resulting in yellow colonies. We used DNA sequencing to verify that the yellow phenotype resulted from genotypes that represented Hamiltonian path solutions, demonstrating that our bacterial computer functioned as expected. Conclusion We successfully designed, constructed, and tested a bacterial computer capable of finding a Hamiltonian path in a three node directed graph. This proof-of-concept experiment demonstrates that bacterial computing is a new way to address NP-complete problems using the inherent advantages of genetic systems. The results of our experiments also validate synthetic biology as a valuable approach to biological engineering. We designed and constructed basic parts, devices, and systems using synthetic biology principles of standardization and abstraction. PMID:19630940

The Impact of Microcomputer-Based Science Labs on Children's Graphing Skills.

ERIC Educational Resources Information Center

Mokros, Janice R.

Microcomputer-based laboratories (MBL), the use of microcomputers for student-directed data acquisition and analysis, represents a promising new development in science laboratory instruction. This descriptive study determined the impact of MBLs on middle school students' understanding of graphs of distance and velocity. The study was based on the…

A tool for filtering information in complex systems

NASA Astrophysics Data System (ADS)

Tumminello, M.; Aste, T.; Di Matteo, T.; Mantegna, R. N.

2005-07-01

We introduce a technique to filter out complex data sets by extracting a subgraph of representative links. Such a filtering can be tuned up to any desired level by controlling the genus of the resulting graph. We show that this technique is especially suitable for correlation-based graphs, giving filtered graphs that preserve the hierarchical organization of the minimum spanning tree but containing a larger amount of information in their internal structure. In particular in the case of planar filtered graphs (genus equal to 0), triangular loops and four-element cliques are formed. The application of this filtering procedure to 100 stocks in the U.S. equity markets shows that such loops and cliques have important and significant relationships with the market structure and properties. This paper was submitted directly (Track II) to the PNAS office.Abbreviations: MST, minimum spanning tree; PMFG, Planar Maximally Filtered Graph; r-clique, clique of r elements.

The braingraph.org database of high resolution structural connectomes and the brain graph tools.

PubMed

Kerepesi, Csaba; Szalkai, Balázs; Varga, Bálint; Grolmusz, Vince

2017-10-01

Based on the data of the NIH-funded Human Connectome Project, we have computed structural connectomes of 426 human subjects in five different resolutions of 83, 129, 234, 463 and 1015 nodes and several edge weights. The graphs are given in anatomically annotated GraphML format that facilitates better further processing and visualization. For 96 subjects, the anatomically classified sub-graphs can also be accessed, formed from the vertices corresponding to distinct lobes or even smaller regions of interests of the brain. For example, one can easily download and study the connectomes, restricted to the frontal lobes or just to the left precuneus of 96 subjects using the data. Partially directed connectomes of 423 subjects are also available for download. We also present a GitHub-deposited set of tools, called the Brain Graph Tools, for several processing tasks of the connectomes on the site http://braingraph.org.

System analysis through bond graph modeling

NASA Astrophysics Data System (ADS)

McBride, Robert Thomas

2005-07-01

Modeling and simulation form an integral role in the engineering design process. An accurate mathematical description of a system provides the design engineer the flexibility to perform trade studies quickly and accurately to expedite the design process. Most often, the mathematical model of the system contains components of different engineering disciplines. A modeling methodology that can handle these types of systems might be used in an indirect fashion to extract added information from the model. This research examines the ability of a modeling methodology to provide added insight into system analysis and design. The modeling methodology used is bond graph modeling. An investigation into the creation of a bond graph model using the Lagrangian of the system is provided. Upon creation of the bond graph, system analysis is performed. To aid in the system analysis, an object-oriented approach to bond graph modeling is introduced. A framework is provided to simulate the bond graph directly. Through object-oriented simulation of a bond graph, the information contained within the bond graph can be exploited to create a measurement of system efficiency. A definition of system efficiency is given. This measurement of efficiency is used in the design of different controllers of varying architectures. Optimal control of a missile autopilot is discussed within the framework of the calculated system efficiency.

Weighted graph cuts without eigenvectors a multilevel approach.

PubMed

Dhillon, Inderjit S; Guan, Yuqiang; Kulis, Brian

2007-11-01

A variety of clustering algorithms have recently been proposed to handle data that is not linearly separable; spectral clustering and kernel k-means are two of the main methods. In this paper, we discuss an equivalence between the objective functions used in these seemingly different methods--in particular, a general weighted kernel k-means objective is mathematically equivalent to a weighted graph clustering objective. We exploit this equivalence to develop a fast, high-quality multilevel algorithm that directly optimizes various weighted graph clustering objectives, such as the popular ratio cut, normalized cut, and ratio association criteria. This eliminates the need for any eigenvector computation for graph clustering problems, which can be prohibitive for very large graphs. Previous multilevel graph partitioning methods, such as Metis, have suffered from the restriction of equal-sized clusters; our multilevel algorithm removes this restriction by using kernel k-means to optimize weighted graph cuts. Experimental results show that our multilevel algorithm outperforms a state-of-the-art spectral clustering algorithm in terms of speed, memory usage, and quality. We demonstrate that our algorithm is applicable to large-scale clustering tasks such as image segmentation, social network analysis and gene network analysis.

Finite-time consensus for multi-agent systems with globally bounded convergence time under directed communication graphs

NASA Astrophysics Data System (ADS)

Fu, Junjie; Wang, Jin-zhi

2017-09-01

In this paper, we study the finite-time consensus problems with globally bounded convergence time also known as fixed-time consensus problems for multi-agent systems subject to directed communication graphs. Two new distributed control strategies are proposed such that leaderless and leader-follower consensus are achieved with convergence time independent on the initial conditions of the agents. Fixed-time formation generation and formation tracking problems are also solved as the generalizations. Simulation examples are provided to demonstrate the performance of the new controllers.

Dynamical modeling and analysis of large cellular regulatory networks

NASA Astrophysics Data System (ADS)

Bérenguier, D.; Chaouiya, C.; Monteiro, P. T.; Naldi, A.; Remy, E.; Thieffry, D.; Tichit, L.

2013-06-01

The dynamical analysis of large biological regulatory networks requires the development of scalable methods for mathematical modeling. Following the approach initially introduced by Thomas, we formalize the interactions between the components of a network in terms of discrete variables, functions, and parameters. Model simulations result in directed graphs, called state transition graphs. We are particularly interested in reachability properties and asymptotic behaviors, which correspond to terminal strongly connected components (or "attractors") in the state transition graph. A well-known problem is the exponential increase of the size of state transition graphs with the number of network components, in particular when using the biologically realistic asynchronous updating assumption. To address this problem, we have developed several complementary methods enabling the analysis of the behavior of large and complex logical models: (i) the definition of transition priority classes to simplify the dynamics; (ii) a model reduction method preserving essential dynamical properties, (iii) a novel algorithm to compact state transition graphs and directly generate compressed representations, emphasizing relevant transient and asymptotic dynamical properties. The power of an approach combining these different methods is demonstrated by applying them to a recent multilevel logical model for the network controlling CD4+ T helper cell response to antigen presentation and to a dozen cytokines. This model accounts for the differentiation of canonical Th1 and Th2 lymphocytes, as well as of inflammatory Th17 and regulatory T cells, along with many hybrid subtypes. All these methods have been implemented into the software GINsim, which enables the definition, the analysis, and the simulation of logical regulatory graphs.

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

PubMed

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.

Solution to Projectile Motion with Quadratic Drag and Graphing the Trajectory in Spreadsheets

ERIC Educational Resources Information Center

Benacka, Jan

2010-01-01

This note gives the analytical solution to projectile motion with quadratic drag by decomposing the velocity vector to "x," "y" coordinate directions. The solution is given by definite integrals. First, the impact angle is estimated from above, then the projectile coordinates are computed, and the trajectory is graphed at various launch angles and…

Combining Human and Machine Intelligence to Derive Agents' Behavioral Rules for Groundwater Irrigation

NASA Astrophysics Data System (ADS)

Hu, Y.; Quinn, C.; Cai, X.

2015-12-01

One major challenge of agent-based modeling is to derive agents' behavioral rules due to behavioral uncertainty and data scarcity. This study proposes a new approach to combine a data-driven modeling based on the directed information (i.e., machine intelligence) with expert domain knowledge (i.e., human intelligence) to derive the behavioral rules of agents considering behavioral uncertainty. A directed information graph algorithm is applied to identifying the causal relationships between agents' decisions (i.e., groundwater irrigation depth) and time-series of environmental, socio-economical and institutional factors. A case study is conducted for the High Plains aquifer hydrological observatory (HO) area, U.S. Preliminary results show that four factors, corn price (CP), underlying groundwater level (GWL), monthly mean temperature (T) and precipitation (P) have causal influences on agents' decisions on groundwater irrigation depth (GWID) to various extents. Based on the similarity of the directed information graph for each agent, five clusters of graphs are further identified to represent all the agents' behaviors in the study area as shown in Figure 1. Using these five representative graphs, agents' monthly optimal groundwater pumping rates are derived through the probabilistic inference. Such data-driven relationships and probabilistic quantifications are then coupled with a physically-based groundwater model to investigate the interactions between agents' pumping behaviors and the underlying groundwater system in the context of coupled human and natural systems.

Graph rigidity, cyclic belief propagation, and point pattern matching.

PubMed

McAuley, Julian J; Caetano, Tibério S; Barbosa, Marconi S

2008-11-01

A recent paper [1] proposed a provably optimal polynomial time method for performing near-isometric point pattern matching by means of exact probabilistic inference in a chordal graphical model. Its fundamental result is that the chordal graph in question is shown to be globally rigid, implying that exact inference provides the same matching solution as exact inference in a complete graphical model. This implies that the algorithm is optimal when there is no noise in the point patterns. In this paper, we present a new graph that is also globally rigid but has an advantage over the graph proposed in [1]: Its maximal clique size is smaller, rendering inference significantly more efficient. However, this graph is not chordal, and thus, standard Junction Tree algorithms cannot be directly applied. Nevertheless, we show that loopy belief propagation in such a graph converges to the optimal solution. This allows us to retain the optimality guarantee in the noiseless case, while substantially reducing both memory requirements and processing time. Our experimental results show that the accuracy of the proposed solution is indistinguishable from that in [1] when there is noise in the point patterns.

Exact numerical calculation of fixation probability and time on graphs.

PubMed

Hindersin, Laura; Möller, Marius; Traulsen, Arne; Bauer, Benedikt

2016-12-01

The Moran process on graphs is a popular model to study the dynamics of evolution in a spatially structured population. Exact analytical solutions for the fixation probability and time of a new mutant have been found for only a few classes of graphs so far. Simulations are time-expensive and many realizations are necessary, as the variance of the fixation times is high. We present an algorithm that numerically computes these quantities for arbitrary small graphs by an approach based on the transition matrix. The advantage over simulations is that the calculation has to be executed only once. Building the transition matrix is automated by our algorithm. This enables a fast and interactive study of different graph structures and their effect on fixation probability and time. We provide a fast implementation in C with this note (Hindersin et al., 2016). Our code is very flexible, as it can handle two different update mechanisms (Birth-death or death-Birth), as well as arbitrary directed or undirected graphs. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Application of Graph Theory to Cost-Effective Fire Protection of Chemical Plants During Domino Effects.

PubMed

Khakzad, Nima; Landucci, Gabriele; Reniers, Genserik

2017-09-01

In the present study, we have introduced a methodology based on graph theory and multicriteria decision analysis for cost-effective fire protection of chemical plants subject to fire-induced domino effects. By modeling domino effects in chemical plants as a directed graph, the graph centrality measures such as out-closeness and betweenness scores can be used to identify the installations playing a key role in initiating and propagating potential domino effects. It is demonstrated that active fire protection of installations with the highest out-closeness score and passive fire protection of installations with the highest betweenness score are the most effective strategies for reducing the vulnerability of chemical plants to fire-induced domino effects. We have employed a dynamic graph analysis to investigate the impact of both the availability and the degradation of fire protection measures over time on the vulnerability of chemical plants. The results obtained from the graph analysis can further be prioritized using multicriteria decision analysis techniques such as the method of reference point to find the most cost-effective fire protection strategy. © 2016 Society for Risk Analysis.

Accurate and Reliable Prediction of the Binding Affinities of Macrocycles to Their Protein Targets.

PubMed

Yu, Haoyu S; Deng, Yuqing; Wu, Yujie; Sindhikara, Dan; Rask, Amy R; Kimura, Takayuki; Abel, Robert; Wang, Lingle

2017-12-12

Macrocycles have been emerging as a very important drug class in the past few decades largely due to their expanded chemical diversity benefiting from advances in synthetic methods. Macrocyclization has been recognized as an effective way to restrict the conformational space of acyclic small molecule inhibitors with the hope of improving potency, selectivity, and metabolic stability. Because of their relatively larger size as compared to typical small molecule drugs and the complexity of the structures, efficient sampling of the accessible macrocycle conformational space and accurate prediction of their binding affinities to their target protein receptors poses a great challenge of central importance in computational macrocycle drug design. In this article, we present a novel method for relative binding free energy calculations between macrocycles with different ring sizes and between the macrocycles and their corresponding acyclic counterparts. We have applied the method to seven pharmaceutically interesting data sets taken from recent drug discovery projects including 33 macrocyclic ligands covering a diverse chemical space. The predicted binding free energies are in good agreement with experimental data with an overall root-mean-square error (RMSE) of 0.94 kcal/mol. This is to our knowledge the first time where the free energy of the macrocyclization of linear molecules has been directly calculated with rigorous physics-based free energy calculation methods, and we anticipate the outstanding accuracy demonstrated here across a broad range of target classes may have significant implications for macrocycle drug discovery.

Information Graph Flow: A Geometric Approximation of Quantum and Statistical Systems

NASA Astrophysics Data System (ADS)

Vanchurin, Vitaly

2018-05-01

Given a quantum (or statistical) system with a very large number of degrees of freedom and a preferred tensor product factorization of the Hilbert space (or of a space of distributions) we describe how it can be approximated with a very low-dimensional field theory with geometric degrees of freedom. The geometric approximation procedure consists of three steps. The first step is to construct weighted graphs (we call information graphs) with vertices representing subsystems (e.g., qubits or random variables) and edges representing mutual information (or the flow of information) between subsystems. The second step is to deform the adjacency matrices of the information graphs to that of a (locally) low-dimensional lattice using the graph flow equations introduced in the paper. (Note that the graph flow produces very sparse adjacency matrices and thus might also be used, for example, in machine learning or network science where the task of graph sparsification is of a central importance.) The third step is to define an emergent metric and to derive an effective description of the metric and possibly other degrees of freedom. To illustrate the procedure we analyze (numerically and analytically) two information graph flows with geometric attractors (towards locally one- and two-dimensional lattices) and metric perturbations obeying a geometric flow equation. Our analysis also suggests a possible approach to (a non-perturbative) quantum gravity in which the geometry (a secondary object) emerges directly from a quantum state (a primary object) due to the flow of the information graphs.

Information Graph Flow: A Geometric Approximation of Quantum and Statistical Systems

NASA Astrophysics Data System (ADS)

Vanchurin, Vitaly

2018-06-01

Given a quantum (or statistical) system with a very large number of degrees of freedom and a preferred tensor product factorization of the Hilbert space (or of a space of distributions) we describe how it can be approximated with a very low-dimensional field theory with geometric degrees of freedom. The geometric approximation procedure consists of three steps. The first step is to construct weighted graphs (we call information graphs) with vertices representing subsystems (e.g., qubits or random variables) and edges representing mutual information (or the flow of information) between subsystems. The second step is to deform the adjacency matrices of the information graphs to that of a (locally) low-dimensional lattice using the graph flow equations introduced in the paper. (Note that the graph flow produces very sparse adjacency matrices and thus might also be used, for example, in machine learning or network science where the task of graph sparsification is of a central importance.) The third step is to define an emergent metric and to derive an effective description of the metric and possibly other degrees of freedom. To illustrate the procedure we analyze (numerically and analytically) two information graph flows with geometric attractors (towards locally one- and two-dimensional lattices) and metric perturbations obeying a geometric flow equation. Our analysis also suggests a possible approach to (a non-perturbative) quantum gravity in which the geometry (a secondary object) emerges directly from a quantum state (a primary object) due to the flow of the information graphs.

Identification of lethal reactions in the Esherichia coli metabolic network: Graph theory approach

NASA Astrophysics Data System (ADS)

Ghim, C.-M.; Goh, K.-I.; Kahng, B.; Kim, D.

2004-03-01

As a first step toward holistic modeling of cells, we analyze the biochemical reactions occurring in the genome-scale metabolism of Esherichia coli. To this end, we construct a directed bipartite graph by assigning metabolite or reaction to each node. We apply various measures of centrality, a well-known concept in the graph theory, and their modifications to the metabolic network, finding that there exist lethal reactions involved in the central metabolism. Such lethal reactions or associated enzymes under diverse environments in silico are identified and compared with earlier results obtained from flux balance analysis.

"I remember when we stayed still and the computer still made lines": Young children's invented and conventional representations of motion

NASA Astrophysics Data System (ADS)

Kahn, Jason

This dissertation concerns kindergarteners' and second graders' invented representations of motion, their interactions with conventional representations of motion built from the child's movement in front of a motion detector and using real-time graphing tools, and any changes in the invented representations that this interaction brings about. We have known for several decades that advanced learners (high school aged and beyond) struggle with physics concepts of motion and sometimes Cartesian graph-based representations of motion. Little has been known about how younger students approach the same concepts. In this study, eighteen children (10 kindergarteners and eight second graders) completed a three-hour clinical interview spread out evenly over three weeks. In the first and last interviews, the child was asked to produce external representations of movement and interpret conventional distance and time graphs of motion. In the second interview the children interacted with a motion detector and real-time graphing tools in a semi-self-directed format. Qualitative and quantitative results are presented and discussed. Qualitative data shows that children are adroit at representing motion and their productions are systematic and purposeful. Children produce drawings that both give context to the physical environment around them and also redescribe the drawn environment, meaning that they provide a potential audience with information otherwise imperceptible, by making certain implicit aspects more explicit. Second graders quickly appropriate the Cartesian graph during the intervention, though at times misinterpret the meaning associated with slope. Children correctly associate slope with direction, but at times misattribute sign of slope (positive or negative) and its corresponding direction (i.e. some children do not ascribe positive slope with motion away from a point of reference, but toward it). Kindergarteners showed a range of experiences during the intervention, one of the students showed a near mastery in interpretation of a Cartesian graph as a representation of motion, while another vehemently resisted graph as a representation of motion. Quantitative data gives a mechanism for comparing pre- and post-assessment productions. Both kindergarten and second grade students provide richer post-assessment representations, with kindergarteners more likely to include a figurative point of reference in the post-assessment and second graders including more explicit information about speed. The implications of this study are that invented representations of motion are a powerful tool for providing insights into children's thinking. The motion detector and real-time graphing tool can be used as early as kindergarten to help children build resources in their representations of motion; second grade students could find the same benefit and potentially begin to build conventional ideas about graphing and movement.

Reproductive Health Assessment of Female Elephants in North American Zoos and Association of Husbandry Practices with Reproductive Dysfunction in African Elephants (Loxodonta africana)

PubMed Central

Meehan, Cheryl L.; Hogan, Jennifer N.; Morfeld, Kari A.; Carlstead, Kathy

2016-01-01

As part of a multi-institutional study of zoo elephant welfare, we evaluated female elephants managed by zoos accredited by the Association of Zoos and Aquariums and applied epidemiological methods to determine what factors in the zoo environment are associated with reproductive problems, including ovarian acyclicity and hyperprolactinemia. Bi-weekly blood samples were collected from 95 African (Loxodonta africana) and 75 Asian (Elephas maximus) (8–55 years of age) elephants over a 12-month period for analysis of serum progestogens and prolactin. Females were categorized as normal cycling (regular 13- to 17-week cycles), irregular cycling (cycles longer or shorter than normal) or acyclic (baseline progestogens, <0.1 ng/ml throughout), and having Low/Normal (<14 or 18 ng/ml) or High (≥14 or 18 ng/ml) prolactin for Asian and African elephants, respectively. Rates of normal cycling, acyclicity and irregular cycling were 73.2, 22.5 and 4.2% for Asian, and 48.4, 37.9 and 13.7% for African elephants, respectively, all of which differed between species (P < 0.05). For African elephants, univariate assessment found that social isolation decreased and higher enrichment diversity increased the chance a female would cycle normally. The strongest multi-variable models included Age (positive) and Enrichment Diversity (negative) as important factors of acyclicity among African elephants. The Asian elephant data set was not robust enough to support multi-variable analyses of cyclicity status. Additionally, only 3% of Asian elephants were found to be hyperprolactinemic as compared to 28% of Africans, so predictive analyses of prolactin status were conducted on African elephants only. The strongest multi-variable model included Age (positive), Enrichment Diversity (negative), Alternate Feeding Methods (negative) and Social Group Contact (positive) as predictors of hyperprolactinemia. In summary, the incidence of ovarian cycle problems and hyperprolactinemia predominantly affects African elephants, and increases in social stability and feeding and enrichment diversity may have positive influences on hormone status. PMID:27416141

Reproductive Health Assessment of Female Elephants in North American Zoos and Association of Husbandry Practices with Reproductive Dysfunction in African Elephants (Loxodonta africana).

PubMed

Brown, Janine L; Paris, Stephen; Prado-Oviedo, Natalia A; Meehan, Cheryl L; Hogan, Jennifer N; Morfeld, Kari A; Carlstead, Kathy

2016-01-01

As part of a multi-institutional study of zoo elephant welfare, we evaluated female elephants managed by zoos accredited by the Association of Zoos and Aquariums and applied epidemiological methods to determine what factors in the zoo environment are associated with reproductive problems, including ovarian acyclicity and hyperprolactinemia. Bi-weekly blood samples were collected from 95 African (Loxodonta africana) and 75 Asian (Elephas maximus) (8-55 years of age) elephants over a 12-month period for analysis of serum progestogens and prolactin. Females were categorized as normal cycling (regular 13- to 17-week cycles), irregular cycling (cycles longer or shorter than normal) or acyclic (baseline progestogens, <0.1 ng/ml throughout), and having Low/Normal (<14 or 18 ng/ml) or High (≥14 or 18 ng/ml) prolactin for Asian and African elephants, respectively. Rates of normal cycling, acyclicity and irregular cycling were 73.2, 22.5 and 4.2% for Asian, and 48.4, 37.9 and 13.7% for African elephants, respectively, all of which differed between species (P < 0.05). For African elephants, univariate assessment found that social isolation decreased and higher enrichment diversity increased the chance a female would cycle normally. The strongest multi-variable models included Age (positive) and Enrichment Diversity (negative) as important factors of acyclicity among African elephants. The Asian elephant data set was not robust enough to support multi-variable analyses of cyclicity status. Additionally, only 3% of Asian elephants were found to be hyperprolactinemic as compared to 28% of Africans, so predictive analyses of prolactin status were conducted on African elephants only. The strongest multi-variable model included Age (positive), Enrichment Diversity (negative), Alternate Feeding Methods (negative) and Social Group Contact (positive) as predictors of hyperprolactinemia. In summary, the incidence of ovarian cycle problems and hyperprolactinemia predominantly affects African elephants, and increases in social stability and feeding and enrichment diversity may have positive influences on hormone status.

Recurrence of hyperprolactinemia and continuation of ovarian acyclicity in captive African elephants (Loxodonta africana) treated with cabergoline.

PubMed

Morfeld, Kari A; Ball, Ray L; Brown, Janine L

2014-09-01

Hyperprolactinemia is associated with reproductive acyclicity in zoo African elephants (Loxodonta africana) and may contribute to the non-self-sustainability of the captive population in North America. It is a common cause of infertility in women and other mammals and can be treated with the dopamine agonist cabergoline. The objectives of this study were to assess prolactin responses to cabergoline treatment in hyperprolactinemic, acyclic African elephants and to determine the subsequent impact on ovarian cyclic activity. Five elephants, diagnosed as hyperprolactinemic (>11 ng/ml prolactin) and acyclic (maintenance of baseline progestagens for at least 1 yr), were treated with 1-2 mg cabergoline orally twice weekly for 16-82 wk. Cabergoline reduced (P < 0.05) serum prolactin concentrations during the treatment period compared to pretreatment levels in four of five elephants (11.5 +/- 3.2 vs. 9.1 +/- 3.4 ng/ml; 20.3 +/- 16.7 vs. 7.9 +/- 9.8 ng/ml; 26.4 +/- 15.0 vs. 6.8 +/- 1.5 ng/ml; 42.2 +/- 22.6 vs. 18.6 +/- 8.9 ng/ml). However, none of the females resumed ovarian cyclicity based on serum progestagen analyses up to 1 yr posttreatment. In addition, within 1 to 6 wk after cessation of oral cabergoline, serum prolactin concentrations returned to concentrations that were as high as or higher than before treatment (P < 0.05). One elephant that exhibited the highest pretreatment prolactin concentration (75.2 +/- 10.5 ng/ml) did not respond to cabergoline and maintained elevated levels throughout the study. Thus, oral cabergoline administration reduced prolactin concentrations in elephants with hyperprolactinemia, but there was no resumption of ovarian cyclicity, and a significant prolactin rebound effect was observed. It is possible that higher doses or longer treatment intervals may be required for cabergoline treatment to result in permanent suppression of prolactin secretion and to mitigate associated ovarian cycle problems.

Results of the third reproductive assessment survey of North American Asian (Elephas maximus) and African (Loxodonta africana) female elephants.

PubMed

Dow, T L; Holásková, I; Brown, J L

2011-01-01

A written survey assessed reproductive status of female Asian and African elephants in AZA/SSP facilities in 2008, and data were compared to surveys conducted in 2002 and 2005. Results showed that ovarian acyclicity rates across the surveys remained unchanged for Asian (13.3, 10.9 and 11.1%) and African (22.1, 31.2 and 30.5%) elephants, respectively (P > 0.05), but were higher overall for African compared to Asian elephants (P < 0.05). In 2008, the percentages of Asian and African elephants with irregular cycles (14.3 and 15.8%) and irregular + no cycles (25.4 and 46.4%) was similar to 2005 (7.6 and 11.8%; 18.5 and 43.0%), but were increased compared to 2002 (2.6 and 5.2%; 16.0 and 27.3%), respectively (P < 0.05). For both species, ovarian acyclicity increased with age (P < 0.05). Reproductive tract pathologies did not account for the majority of acyclicity, although rates were higher in noncycling females (P < 0.05). Bull presence was associated with increased cyclicity rates (P < 0.05) for Asian (92.5 vs. 58.3%) and African (64.9 vs. 57.8%) elephants compared to females at facilities with no male, respectively. Cyclicity rates were higher for Asian (86.8 vs. 65.2%) and African (67.9 vs. 56.7%) elephants managed in free compared to protected contact programs (P < 0.05), respectively. Geographical facility location had no effect on cyclicity (P > 0.05). In summary, incidence of ovarian cycle problems continues to predominantly affect African elephants. Although percentages of acyclicity did not increase between 2005 and 2008, 42.2% Asian and 30.2% African females were no longer being hormonally monitored; thus, reproductive cycle abnormalities could be worse than current data suggest. © 2011 Wiley Periodicals, Inc.

Trust from the past: Bayesian Personalized Ranking based Link Prediction in Knowledge Graphs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Baichuan; Choudhury, Sutanay; Al-Hasan, Mohammad

2016-02-01

Estimating the confidence for a link is a critical task for Knowledge Graph construction. Link prediction, or predicting the likelihood of a link in a knowledge graph based on prior state is a key research direction within this area. We propose a Latent Feature Embedding based link recommendation model for prediction task and utilize Bayesian Personalized Ranking based optimization technique for learning models for each predicate. Experimental results on large-scale knowledge bases such as YAGO2 show that our approach achieves substantially higher performance than several state-of-art approaches. Furthermore, we also study the performance of the link prediction algorithm in termsmore » of topological properties of the Knowledge Graph and present a linear regression model to reason about its expected level of accuracy.« less

Efficient solution for finding Hamilton cycles in undirected graphs.

PubMed

Alhalabi, Wadee; Kitanneh, Omar; Alharbi, Amira; Balfakih, Zain; Sarirete, Akila

2016-01-01

The Hamilton cycle problem is closely related to a series of famous problems and puzzles (traveling salesman problem, Icosian game) and, due to the fact that it is NP-complete, it was extensively studied with different algorithms to solve it. The most efficient algorithm is not known. In this paper, a necessary condition for an arbitrary un-directed graph to have Hamilton cycle is proposed. Based on this condition, a mathematical solution for this problem is developed and several proofs and an algorithmic approach are introduced. The algorithm is successfully implemented on many Hamiltonian and non-Hamiltonian graphs. This provides a new effective approach to solve a problem that is fundamental in graph theory and can influence the manner in which the existing applications are used and improved.

Local Higher-Order Graph Clustering

PubMed Central

Yin, Hao; Benson, Austin R.; Leskovec, Jure; Gleich, David F.

2018-01-01

Local graph clustering methods aim to find a cluster of nodes by exploring a small region of the graph. These methods are attractive because they enable targeted clustering around a given seed node and are faster than traditional global graph clustering methods because their runtime does not depend on the size of the input graph. However, current local graph partitioning methods are not designed to account for the higher-order structures crucial to the network, nor can they effectively handle directed networks. Here we introduce a new class of local graph clustering methods that address these issues by incorporating higher-order network information captured by small subgraphs, also called network motifs. We develop the Motif-based Approximate Personalized PageRank (MAPPR) algorithm that finds clusters containing a seed node with minimal motif conductance, a generalization of the conductance metric for network motifs. We generalize existing theory to prove the fast running time (independent of the size of the graph) and obtain theoretical guarantees on the cluster quality (in terms of motif conductance). We also develop a theory of node neighborhoods for finding sets that have small motif conductance, and apply these results to the case of finding good seed nodes to use as input to the MAPPR algorithm. Experimental validation on community detection tasks in both synthetic and real-world networks, shows that our new framework MAPPR outperforms the current edge-based personalized PageRank methodology. PMID:29770258

Directional Agglomeration Multigrid Techniques for High Reynolds Number Viscous Flow Solvers

NASA Technical Reports Server (NTRS)

1998-01-01

A preconditioned directional-implicit agglomeration algorithm is developed for solving two- and three-dimensional viscous flows on highly anisotropic unstructured meshes of mixed-element types. The multigrid smoother consists of a pre-conditioned point- or line-implicit solver which operates on lines constructed in the unstructured mesh using a weighted graph algorithm. Directional coarsening or agglomeration is achieved using a similar weighted graph algorithm. A tight coupling of the line construction and directional agglomeration algorithms enables the use of aggressive coarsening ratios in the multigrid algorithm, which in turn reduces the cost of a multigrid cycle. Convergence rates which are independent of the degree of grid stretching are demonstrated in both two and three dimensions. Further improvement of the three-dimensional convergence rates through a GMRES technique is also demonstrated.

Directional Agglomeration Multigrid Techniques for High-Reynolds Number Viscous Flows

NASA Technical Reports Server (NTRS)

Mavriplis, Dimitri J.

1998-01-01

A preconditioned directional-implicit agglomeration algorithm is developed for solving two- and three-dimensional viscous flows on highly anisotropic unstructured meshes of mixed-element types. The multigrid smoother consists of a pre-conditioned point- or line-implicit solver which operates on lines constructed in the unstructured mesh using a weighted graph algorithm. Directional coarsening or agglomeration is achieved using a similar weighted graph algorithm. A tight coupling of the line construction and directional agglomeration algorithms enables the use of aggressive coarsening ratios in the multigrid algorithm, which in turn reduces the cost of a multigrid cycle. Convergence rates which are independent of the degree of grid stretching are demonstrated in both two and three dimensions. Further improvement of the three-dimensional convergence rates through a GMRES technique is also demonstrated.

Categorization of First-Year University Students' Interpretations of Numerical Linear Distance-Time Graphs

ERIC Educational Resources Information Center

Wemyss, Thomas; van Kampen, Paul

2013-01-01

We have investigated the various approaches taken by first-year university students (n[image omitted]550) when asked to determine the direction of motion, the constancy of speed, and a numerical value of the speed of an object at a point on a numerical linear distance-time graph. We investigated the prevalence of various well-known general…

Evolution of tag-based cooperation on Erdős-Rényi random graphs

NASA Astrophysics Data System (ADS)

Lima, F. W. S.; Hadzibeganovic, Tarik; Stauffer, Dietrich

2014-12-01

Here, we study an agent-based model of the evolution of tag-mediated cooperation on Erdős-Rényi random graphs. In our model, agents with heritable phenotypic traits play pairwise Prisoner's Dilemma-like games and follow one of the four possible strategies: Ethnocentric, altruistic, egoistic and cosmopolitan. Ethnocentric and cosmopolitan strategies are conditional, i.e. their selection depends upon the shared phenotypic similarity among interacting agents. The remaining two strategies are always unconditional, meaning that egoists always defect while altruists always cooperate. Our simulations revealed that ethnocentrism can win in both early and later evolutionary stages on directed random graphs when reproduction of artificial agents was asexual; however, under the sexual mode of reproduction on a directed random graph, we found that altruists dominate initially for a rather short period of time, whereas ethnocentrics and egoists suppress other strategists and compete for dominance in the intermediate and later evolutionary stages. Among our results, we also find surprisingly regular oscillations which are not damped in the course of time even after half a million Monte Carlo steps. Unlike most previous studies, our findings highlight conditions under which ethnocentrism is less stable or suppressed by other competing strategies.

Entropy, complexity, and Markov diagrams for random walk cancer models.

PubMed

Newton, Paul K; Mason, Jeremy; Hurt, Brian; Bethel, Kelly; Bazhenova, Lyudmila; Nieva, Jorge; Kuhn, Peter

2014-12-19

The notion of entropy is used to compare the complexity associated with 12 common cancers based on metastatic tumor distribution autopsy data. We characterize power-law distributions, entropy, and Kullback-Liebler divergence associated with each primary cancer as compared with data for all cancer types aggregated. We then correlate entropy values with other measures of complexity associated with Markov chain dynamical systems models of progression. The Markov transition matrix associated with each cancer is associated with a directed graph model where nodes are anatomical locations where a metastatic tumor could develop, and edge weightings are transition probabilities of progression from site to site. The steady-state distribution corresponds to the autopsy data distribution. Entropy correlates well with the overall complexity of the reduced directed graph structure for each cancer and with a measure of systemic interconnectedness of the graph, called graph conductance. The models suggest that grouping cancers according to their entropy values, with skin, breast, kidney, and lung cancers being prototypical high entropy cancers, stomach, uterine, pancreatic and ovarian being mid-level entropy cancers, and colorectal, cervical, bladder, and prostate cancers being prototypical low entropy cancers, provides a potentially useful framework for viewing metastatic cancer in terms of predictability, complexity, and metastatic potential.

Entropy, complexity, and Markov diagrams for random walk cancer models

NASA Astrophysics Data System (ADS)

Newton, Paul K.; Mason, Jeremy; Hurt, Brian; Bethel, Kelly; Bazhenova, Lyudmila; Nieva, Jorge; Kuhn, Peter

2014-12-01

The notion of entropy is used to compare the complexity associated with 12 common cancers based on metastatic tumor distribution autopsy data. We characterize power-law distributions, entropy, and Kullback-Liebler divergence associated with each primary cancer as compared with data for all cancer types aggregated. We then correlate entropy values with other measures of complexity associated with Markov chain dynamical systems models of progression. The Markov transition matrix associated with each cancer is associated with a directed graph model where nodes are anatomical locations where a metastatic tumor could develop, and edge weightings are transition probabilities of progression from site to site. The steady-state distribution corresponds to the autopsy data distribution. Entropy correlates well with the overall complexity of the reduced directed graph structure for each cancer and with a measure of systemic interconnectedness of the graph, called graph conductance. The models suggest that grouping cancers according to their entropy values, with skin, breast, kidney, and lung cancers being prototypical high entropy cancers, stomach, uterine, pancreatic and ovarian being mid-level entropy cancers, and colorectal, cervical, bladder, and prostate cancers being prototypical low entropy cancers, provides a potentially useful framework for viewing metastatic cancer in terms of predictability, complexity, and metastatic potential.

Bayesian segmentation of atrium wall using globally-optimal graph cuts on 3D meshes.

PubMed

Veni, Gopalkrishna; Fu, Zhisong; Awate, Suyash P; Whitaker, Ross T

2013-01-01

Efficient segmentation of the left atrium (LA) wall from delayed enhancement MRI is challenging due to inconsistent contrast, combined with noise, and high variation in atrial shape and size. We present a surface-detection method that is capable of extracting the atrial wall by computing an optimal a-posteriori estimate. This estimation is done on a set of nested meshes, constructed from an ensemble of segmented training images, and graph cuts on an associated multi-column, proper-ordered graph. The graph/mesh is a part of a template/model that has an associated set of learned intensity features. When this mesh is overlaid onto a test image, it produces a set of costs which lead to an optimal segmentation. The 3D mesh has an associated weighted, directed multi-column graph with edges that encode smoothness and inter-surface penalties. Unlike previous graph-cut methods that impose hard constraints on the surface properties, the proposed method follows from a Bayesian formulation resulting in soft penalties on spatial variation of the cuts through the mesh. The novelty of this method also lies in the construction of proper-ordered graphs on complex shapes for choosing among distinct classes of base shapes for automatic LA segmentation. We evaluate the proposed segmentation framework on simulated and clinical cardiac MRI.

Employing the therapeutic operating characteristic (TOC) graph for individualised dose prescription.

PubMed

Hoffmann, Aswin L; Huizenga, Henk; Kaanders, Johannes H A M

2013-03-07

In current practice, patients scheduled for radiotherapy are treated according to 'rigid' protocols with predefined dose prescriptions that do not consider risk-taking preferences of individuals. The therapeutic operating characteristic (TOC) graph is applied as a decision-aid to assess the trade-off between treatment benefit and morbidity to facilitate dose prescription customisation. Historical dose-response data from prostate cancer patient cohorts treated with 3D-conformal radiotherapy is used to construct TOC graphs. Next, intensity-modulated (IMRT) plans are generated by optimisation based on dosimetric criteria and dose-response relationships. TOC graphs are constructed for dose-scaling of the optimised IMRT plan and individualised dose prescription. The area under the TOC curve (AUC) is estimated to measure the therapeutic power of these plans. On a continuous scale, the TOC graph directly visualises treatment benefit and morbidity risk of physicians' or patients' choices for dose (de-)escalation. The trade-off between these probabilities facilitates the selection of an individualised dose prescription. TOC graphs show broader therapeutic window and higher AUCs with increasing target dose heterogeneity. The TOC graph gives patients and physicians access to a decision-aid and read-out of the trade-off between treatment benefit and morbidity risks for individualised dose prescription customisation over a continuous range of dose levels.

Employing the therapeutic operating characteristic (TOC) graph for individualised dose prescription

PubMed Central

2013-01-01

Background In current practice, patients scheduled for radiotherapy are treated according to ‘rigid’ protocols with predefined dose prescriptions that do not consider risk-taking preferences of individuals. The therapeutic operating characteristic (TOC) graph is applied as a decision-aid to assess the trade-off between treatment benefit and morbidity to facilitate dose prescription customisation. Methods Historical dose-response data from prostate cancer patient cohorts treated with 3D-conformal radiotherapy is used to construct TOC graphs. Next, intensity-modulated (IMRT) plans are generated by optimisation based on dosimetric criteria and dose-response relationships. TOC graphs are constructed for dose-scaling of the optimised IMRT plan and individualised dose prescription. The area under the TOC curve (AUC) is estimated to measure the therapeutic power of these plans. Results On a continuous scale, the TOC graph directly visualises treatment benefit and morbidity risk of physicians’ or patients’ choices for dose (de-)escalation. The trade-off between these probabilities facilitates the selection of an individualised dose prescription. TOC graphs show broader therapeutic window and higher AUCs with increasing target dose heterogeneity. Conclusions The TOC graph gives patients and physicians access to a decision-aid and read-out of the trade-off between treatment benefit and morbidity risks for individualised dose prescription customisation over a continuous range of dose levels. PMID:23497640

Classification of Domain Movements in Proteins Using Dynamic Contact Graphs

PubMed Central

Taylor, Daniel; Cawley, Gavin; Hayward, Steven

2013-01-01

A new method for the classification of domain movements in proteins is described and applied to 1822 pairs of structures from the Protein Data Bank that represent a domain movement in two-domain proteins. The method is based on changes in contacts between residues from the two domains in moving from one conformation to the other. We argue that there are five types of elemental contact changes and that these relate to five model domain movements called: “free”, “open-closed”, “anchored”, “sliding-twist”, and “see-saw.” A directed graph is introduced called the “Dynamic Contact Graph” which represents the contact changes in a domain movement. In many cases a graph, or part of a graph, provides a clear visual metaphor for the movement it represents and is a motif that can be easily recognised. The Dynamic Contact Graphs are often comprised of disconnected subgraphs indicating independent regions which may play different roles in the domain movement. The Dynamic Contact Graph for each domain movement is decomposed into elemental Dynamic Contact Graphs, those that represent elemental contact changes, allowing us to count the number of instances of each type of elemental contact change in the domain movement. This naturally leads to sixteen classes into which the 1822 domain movements are classified. PMID:24260562

Learning locality preserving graph from data.

PubMed

Zhang, Yan-Ming; Huang, Kaizhu; Hou, Xinwen; Liu, Cheng-Lin

2014-11-01

Machine learning based on graph representation, or manifold learning, has attracted great interest in recent years. As the discrete approximation of data manifold, the graph plays a crucial role in these kinds of learning approaches. In this paper, we propose a novel learning method for graph construction, which is distinct from previous methods in that it solves an optimization problem with the aim of directly preserving the local information of the original data set. We show that the proposed objective has close connections with the popular Laplacian Eigenmap problem, and is hence well justified. The optimization turns out to be a quadratic programming problem with n(n-1)/2 variables (n is the number of data points). Exploiting the sparsity of the graph, we further propose a more efficient cutting plane algorithm to solve the problem, making the method better scalable in practice. In the context of clustering and semi-supervised learning, we demonstrated the advantages of our proposed method by experiments.

Mathematical formula recognition using graph grammar

NASA Astrophysics Data System (ADS)

Lavirotte, Stephane; Pottier, Loic

1998-04-01

This paper describes current results of Ofr, a system for extracting and understanding mathematical expressions in documents. Such a tool could be really useful to be able to re-use knowledge in scientific books which are not available in electronic form. We currently also study use of this system for direct input of formulas with a graphical tablet for computer algebra system softwares. Existing solutions for mathematical recognition have problems to analyze 2D expressions like vectors and matrices. This is because they often try to use extended classical grammar to analyze formulas, relatively to baseline. But a lot of mathematical notations do not respect rules for such a parsing and that is the reason why they fail to extend text parsing technic. We investigate graph grammar and graph rewriting as a solution to recognize 2D mathematical notations. Graph grammar provide a powerful formalism to describe structural manipulations of multi-dimensional data. The main two problems to solve are ambiguities between rules of grammar and construction of graph.

Decomposition Algorithm for Global Reachability on a Time-Varying Graph

NASA Technical Reports Server (NTRS)

Kuwata, Yoshiaki

2010-01-01

A decomposition algorithm has been developed for global reachability analysis on a space-time grid. By exploiting the upper block-triangular structure, the planning problem is decomposed into smaller subproblems, which is much more scalable than the original approach. Recent studies have proposed the use of a hot-air (Montgolfier) balloon for possible exploration of Titan and Venus because these bodies have thick haze or cloud layers that limit the science return from an orbiter, and the atmospheres would provide enough buoyancy for balloons. One of the important questions that needs to be addressed is what surface locations the balloon can reach from an initial location, and how long it would take. This is referred to as the global reachability problem, where the paths from starting locations to all possible target locations must be computed. The balloon could be driven with its own actuation, but its actuation capability is fairly limited. It would be more efficient to take advantage of the wind field and ride the wind that is much stronger than what the actuator could produce. It is possible to pose the path planning problem as a graph search problem on a directed graph by discretizing the spacetime world and the vehicle actuation. The decomposition algorithm provides reachability analysis of a time-varying graph. Because the balloon only moves in the positive direction in time, the adjacency matrix of the graph can be represented with an upper block-triangular matrix, and this upper block-triangular structure can be exploited to decompose a large graph search problem. The new approach consumes a much smaller amount of memory, which also helps speed up the overall computation when the computing resource has a limited physical memory compared to the problem size.

Generation and exploitation of acyclic azomethine imines in chiral Brønsted acid catalysis

NASA Astrophysics Data System (ADS)

Hashimoto, Takuya; Kimura, Hidenori; Kawamata, Yu; Maruoka, Keiji

2011-08-01

Successful implementation of a catalytic asymmetric synthesis strategy to produce enantiomerically enriched compounds requires the adoption of suitable prochiral substrates. The combination of an azomethine imine electrophile with various nucleophiles could give straightforward access to a number of synthetically useful chiral hydrazines, but is used rarely. Here we report the exploitation of acyclic azomethine imines as a new type of prochiral electrophile. They can be generated in situ by the condensation of N‧-benzylbenzoylhydrazide with a variety of aldehydes in the presence of a catalytic amount of an axially chiral dicarboxylic acid. By trapping these electrophiles with alkyl diazoacetate or (diazomethyl)phosphonate nucleophiles, we produced a diverse array of chiral α-diazo-β-hydrazino esters and phosphonates with excellent enantioselectivities.

Lanthanum tricyanide-catalyzed acyl silane-ketone benzoin additions and kinetic resolution of resultant alpha-silyloxyketones.

PubMed

Tarr, James C; Johnson, Jeffrey S

2010-05-21

We report the full account of our efforts on the lanthanum tricyanide-catalyzed acyl silane-ketone benzoin reaction. The reaction exhibits a wide scope in both acyl silane (aryl, alkyl) and ketone (aryl-alkyl, alkyl-alkyl, aryl-aryl, alkenyl-alkyl, alkynyl-alkyl) coupling partners. The diastereoselectivity of the reaction has been examined in both cyclic and acyclic systems. Cyclohexanones give products arising from equatorial attack by the acyl silane. The diastereoselectivity of acyl silane addition to acyclic alpha-hydroxy ketones can be controlled by varying the protecting group to obtain either Felkin-Ahn or chelation control. The resultant alpha-silyloxyketone products can be resolved with selectivity factors from 10 to 15 by subjecting racemic ketone benzoin products to CBS reduction.

Wedge sampling for computing clustering coefficients and triangle counts on large graphs

DOE PAGES

Seshadhri, C.; Pinar, Ali; Kolda, Tamara G.

2014-05-08

Graphs are used to model interactions in a variety of contexts, and there is a growing need to quickly assess the structure of such graphs. Some of the most useful graph metrics are based on triangles, such as those measuring social cohesion. Despite the importance of these triadic measures, algorithms to compute them can be extremely expensive. We discuss the method of wedge sampling. This versatile technique allows for the fast and accurate approximation of various types of clustering coefficients and triangle counts. Furthermore, these techniques are extensible to counting directed triangles in digraphs. Our methods come with provable andmore » practical time-approximation tradeoffs for all computations. We provide extensive results that show our methods are orders of magnitude faster than the state of the art, while providing nearly the accuracy of full enumeration.« less

Path scanning for the detection of anomalous subgraphs and use of DNS requests and host agents for anomaly/change detection and network situational awareness

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neil, Joshua Charles; Fisk, Michael Edward; Brugh, Alexander William

A system, apparatus, computer-readable medium, and computer-implemented method are provided for detecting anomalous behavior in a network. Historical parameters of the network are determined in order to determine normal activity levels. A plurality of paths in the network are enumerated as part of a graph representing the network, where each computing system in the network may be a node in the graph and the sequence of connections between two computing systems may be a directed edge in the graph. A statistical model is applied to the plurality of paths in the graph on a sliding window basis to detect anomalousmore » behavior. Data collected by a Unified Host Collection Agent ("UHCA") may also be used to detect anomalous behavior.« less

Validation of the Actigraph GT3X and ActivPAL Accelerometers for the Assessment of Sedentary Behavior

ERIC Educational Resources Information Center

Kim, Youngdeok; Barry, Vaughn W.; Kang, Minsoo

2015-01-01

This study examined (a) the validity of two accelerometers (ActiGraph GT3X [ActiGraph LLC, Pensacola, FL, USA] and activPAL [PAL Technologies Ltd., Glasgow, Scotland]) for the assessment of sedentary behavior; and (b) the variations in assessment accuracy by setting minimum sedentary bout durations against a proxy for direct observation using an…

Feedback topology and XOR-dynamics in Boolean networks with varying input structure

NASA Astrophysics Data System (ADS)

Ciandrini, L.; Maffi, C.; Motta, A.; Bassetti, B.; Cosentino Lagomarsino, M.

2009-08-01

We analyze a model of fixed in-degree random Boolean networks in which the fraction of input-receiving nodes is controlled by the parameter γ . We investigate analytically and numerically the dynamics of graphs under a parallel XOR updating scheme. This scheme is interesting because it is accessible analytically and its phenomenology is at the same time under control and as rich as the one of general Boolean networks. We give analytical formulas for the dynamics on general graphs, showing that with a XOR-type evolution rule, dynamic features are direct consequences of the topological feedback structure, in analogy with the role of relevant components in Kauffman networks. Considering graphs with fixed in-degree, we characterize analytically and numerically the feedback regions using graph decimation algorithms (Leaf Removal). With varying γ , this graph ensemble shows a phase transition that separates a treelike graph region from one in which feedback components emerge. Networks near the transition point have feedback components made of disjoint loops, in which each node has exactly one incoming and one outgoing link. Using this fact, we provide analytical estimates of the maximum period starting from topological considerations.

Feedback topology and XOR-dynamics in Boolean networks with varying input structure.

PubMed

Ciandrini, L; Maffi, C; Motta, A; Bassetti, B; Cosentino Lagomarsino, M

2009-08-01

We analyze a model of fixed in-degree random Boolean networks in which the fraction of input-receiving nodes is controlled by the parameter gamma. We investigate analytically and numerically the dynamics of graphs under a parallel XOR updating scheme. This scheme is interesting because it is accessible analytically and its phenomenology is at the same time under control and as rich as the one of general Boolean networks. We give analytical formulas for the dynamics on general graphs, showing that with a XOR-type evolution rule, dynamic features are direct consequences of the topological feedback structure, in analogy with the role of relevant components in Kauffman networks. Considering graphs with fixed in-degree, we characterize analytically and numerically the feedback regions using graph decimation algorithms (Leaf Removal). With varying gamma , this graph ensemble shows a phase transition that separates a treelike graph region from one in which feedback components emerge. Networks near the transition point have feedback components made of disjoint loops, in which each node has exactly one incoming and one outgoing link. Using this fact, we provide analytical estimates of the maximum period starting from topological considerations.

Fast and asymptotic computation of the fixation probability for Moran processes on graphs.

PubMed

Alcalde Cuesta, F; González Sequeiros, P; Lozano Rojo, Á

2015-03-01

Evolutionary dynamics has been classically studied for homogeneous populations, but now there is a growing interest in the non-homogeneous case. One of the most important models has been proposed in Lieberman et al. (2005), adapting to a weighted directed graph the process described in Moran (1958). The Markov chain associated with the graph can be modified by erasing all non-trivial loops in its state space, obtaining the so-called Embedded Markov chain (EMC). The fixation probability remains unchanged, but the expected time to absorption (fixation or extinction) is reduced. In this paper, we shall use this idea to compute asymptotically the average fixation probability for complete bipartite graphs K(n,m). To this end, we firstly review some recent results on evolutionary dynamics on graphs trying to clarify some points. We also revisit the 'Star Theorem' proved in Lieberman et al. (2005) for the star graphs K(1,m). Theoretically, EMC techniques allow fast computation of the fixation probability, but in practice this is not always true. Thus, in the last part of the paper, we compare this algorithm with the standard Monte Carlo method for some kind of complex networks. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Skeletal mechanism generation for surrogate fuels using directed relation graph with error propagation and sensitivity analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Niemeyer, Kyle E.; Sung, Chih-Jen; Raju, Mandhapati P.

2010-09-15

A novel implementation for the skeletal reduction of large detailed reaction mechanisms using the directed relation graph with error propagation and sensitivity analysis (DRGEPSA) is developed and presented with examples for three hydrocarbon components, n-heptane, iso-octane, and n-decane, relevant to surrogate fuel development. DRGEPSA integrates two previously developed methods, directed relation graph-aided sensitivity analysis (DRGASA) and directed relation graph with error propagation (DRGEP), by first applying DRGEP to efficiently remove many unimportant species prior to sensitivity analysis to further remove unimportant species, producing an optimally small skeletal mechanism for a given error limit. It is illustrated that the combination ofmore » the DRGEP and DRGASA methods allows the DRGEPSA approach to overcome the weaknesses of each, specifically that DRGEP cannot identify all unimportant species and that DRGASA shields unimportant species from removal. Skeletal mechanisms for n-heptane and iso-octane generated using the DRGEP, DRGASA, and DRGEPSA methods are presented and compared to illustrate the improvement of DRGEPSA. From a detailed reaction mechanism for n-alkanes covering n-octane to n-hexadecane with 2115 species and 8157 reactions, two skeletal mechanisms for n-decane generated using DRGEPSA, one covering a comprehensive range of temperature, pressure, and equivalence ratio conditions for autoignition and the other limited to high temperatures, are presented and validated. The comprehensive skeletal mechanism consists of 202 species and 846 reactions and the high-temperature skeletal mechanism consists of 51 species and 256 reactions. Both mechanisms are further demonstrated to well reproduce the results of the detailed mechanism in perfectly-stirred reactor and laminar flame simulations over a wide range of conditions. The comprehensive and high-temperature n-decane skeletal mechanisms are included as supplementary material with this article. (author)« less

Properties of heuristic search strategies

NASA Technical Reports Server (NTRS)

Vanderbrug, G. J.

1973-01-01

A directed graph is used to model the search space of a state space representation with single input operators, an AND/OR is used for problem reduction representations, and a theorem proving graph is used for state space representations with multiple input operators. These three graph models and heuristic strategies for searching them are surveyed. The completeness, admissibility, and optimality properties of search strategies which use the evaluation function f = (1 - omega)g = omega(h) are presented and interpreted using a representation of the search process in the plane. The use of multiple output operators to imply dependent successors, and thus obtain a formalism which includes all three types of representations, is discussed.

jSquid: a Java applet for graphical on-line network exploration.

PubMed

Klammer, Martin; Roopra, Sanjit; Sonnhammer, Erik L L

2008-06-15

jSquid is a graph visualization tool for exploring graphs from protein-protein interaction or functional coupling networks. The tool was designed for the FunCoup web site, but can be used for any similar network exploring purpose. The program offers various visualization and graph manipulation techniques to increase the utility for the user. jSquid is available for direct usage and download at http://jSquid.sbc.su.se including source code under the GPLv3 license, and input examples. It requires Java version 5 or higher to run properly. erik.sonnhammer@sbc.su.se Supplementary data are available at Bioinformatics online.

Application of dynamic uncertain causality graph in spacecraft fault diagnosis: Logic cycle

NASA Astrophysics Data System (ADS)

Yao, Quanying; Zhang, Qin; Liu, Peng; Yang, Ping; Zhu, Ma; Wang, Xiaochen

2017-04-01

Intelligent diagnosis system are applied to fault diagnosis in spacecraft. Dynamic Uncertain Causality Graph (DUCG) is a new probability graphic model with many advantages. In the knowledge expression of spacecraft fault diagnosis, feedback among variables is frequently encountered, which may cause directed cyclic graphs (DCGs). Probabilistic graphical models (PGMs) such as bayesian network (BN) have been widely applied in uncertain causality representation and probabilistic reasoning, but BN does not allow DCGs. In this paper, DUGG is applied to fault diagnosis in spacecraft: introducing the inference algorithm for the DUCG to deal with feedback. Now, DUCG has been tested in 16 typical faults with 100% diagnosis accuracy.

Ovarian acyclicity in zoo African elephants (Loxodonta africana) is associated with high body condition scores and elevated serum insulin and leptin.

PubMed

Morfeld, Kari A; Brown, Janine L

2016-04-01

The purpose of the present study was to determine whether excessive body fat and altered metabolic hormone concentrations in the circulation were associated with ovarian acyclicity in the world's largest land mammal, the African elephant. We compared body condition, glucose, insulin and leptin concentrations and the glucose-to-insulin ratio (G:I) between cycling (n=23; normal 14-16 week cycles based on serum progestagens for at least 2 years) and non-cycling (n=23; consistent baseline progestagen concentrations for at least 2 years) females. A validated body condition score (BCS) index (five-point scale; 1=thinnest, 5=fattest) was used to assess the degree of fatness of the study elephants. The mean BCS of non-cycling elephants was higher than that of their cycling counterparts. There were differences in concentrations of serum metabolic biomarkers, with non-cycling elephants in the BCS 5 category having higher leptin and insulin concentrations and a lower G:I ratio than cycling BCS 5 females. Using 'non-cycling' as the outcome variable in regression models, high BCS was a strong predictor of a non-cycling status. This study provides the first evidence that ovarian acyclicity in zoo African elephants is associated with body condition indicative of obesity, as well as elevated, perturbed biomarkers of metabolic status.

The a-cycle problem for transverse Ising ring

NASA Astrophysics Data System (ADS)

Dong, Jian-Jun; Li, Peng; Chen, Qi-Hui

2016-11-01

Traditionally, the transverse Ising model is mapped to the fermionic c-cycle problem, which neglects the boundary effect due to thermodynamic limit. If persisting on a perfect periodic boundary condition, we can get a so-called a-cycle problem that has not been treated seriously so far (Lieb et al 1961 Ann. Phys. 16 407). In this work, we show a little surprising but exact result in this respect. We find the odevity of the number of lattice sites, N, in the a-cycle problem plays an unexpected role even in the thermodynamic limit, N\\to ∞ , due to the boundary constraint. We pay special attention to the system with N(\\in Odd)\\to ∞ , which is in contrast to the one with N(\\in Even)\\to ∞ , because the former suffers a ring frustration. As a new effect, we find the ring frustration induces a low-energy gapless spectrum above the ground state. By proving a theorem for a new type of Toeplitz determinant, we demonstrate that the ground state in the gapless region exhibits a peculiar longitudinal spin-spin correlation. The entangled nature of the ground state is also disclosed by the evaluation of its entanglement entropy. At low temperature, new behavior of specific heat is predicted. We also propose an experimental protocol for observing the new phenomenon due to the ring frustration.

Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates

NASA Astrophysics Data System (ADS)

Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

2017-04-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars ( d-allose and d-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars d-allose and d-psicose, thereby extending the available biomolecules in the Drude polarizable FF.

Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.

PubMed

Small, Meagan C; Aytenfisu, Asaminew H; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D

2017-04-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars (D-allose and D-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars D-allose and D-psicose, thereby extending the available biomolecules in the Drude polarizable FF.

Drude Polarizable Force Field for Aliphatic Ketones and Aldehydes, and their Associated Acyclic Carbohydrates

PubMed Central

Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

2017-01-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars (D-allose and D-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars D-allose and D-psicose, thereby extending the available biomolecules in the Drude polarizable FF. PMID:28190218

Analysis Tools for Interconnected Boolean Networks With Biological Applications.

PubMed

Chaves, Madalena; Tournier, Laurent

2018-01-01

Boolean networks with asynchronous updates are a class of logical models particularly well adapted to describe the dynamics of biological networks with uncertain measures. The state space of these models can be described by an asynchronous state transition graph, which represents all the possible exits from every single state, and gives a global image of all the possible trajectories of the system. In addition, the asynchronous state transition graph can be associated with an absorbing Markov chain, further providing a semi-quantitative framework where it becomes possible to compute probabilities for the different trajectories. For large networks, however, such direct analyses become computationally untractable, given the exponential dimension of the graph. Exploiting the general modularity of biological systems, we have introduced the novel concept of asymptotic graph , computed as an interconnection of several asynchronous transition graphs and recovering all asymptotic behaviors of a large interconnected system from the behavior of its smaller modules. From a modeling point of view, the interconnection of networks is very useful to address for instance the interplay between known biological modules and to test different hypotheses on the nature of their mutual regulatory links. This paper develops two new features of this general methodology: a quantitative dimension is added to the asymptotic graph, through the computation of relative probabilities for each final attractor and a companion cross-graph is introduced to complement the method on a theoretical point of view.

A SAT Based Effective Algorithm for the Directed Hamiltonian Cycle Problem

NASA Astrophysics Data System (ADS)

Jäger, Gerold; Zhang, Weixiong

The Hamiltonian cycle problem (HCP) is an important combinatorial problem with applications in many areas. While thorough theoretical and experimental analyses have been made on the HCP in undirected graphs, little is known for the HCP in directed graphs (DHCP). The contribution of this work is an effective algorithm for the DHCP. Our algorithm explores and exploits the close relationship between the DHCP and the Assignment Problem (AP) and utilizes a technique based on Boolean satisfiability (SAT). By combining effective algorithms for the AP and SAT, our algorithm significantly outperforms previous exact DHCP algorithms including an algorithm based on the award-winning Concorde TSP algorithm.

On understanding nuclear reaction network flows with branchings on directed graphs

NASA Astrophysics Data System (ADS)

Meyer, Bradley S.

2018-04-01

Nuclear reaction network flow diagrams are useful for understanding which reactions are governing the abundance changes at a particular time during nucleosynthesis. This is especially true when the flows are largely unidirectional, such as during the s-process of nucleosynthesis. In explosive nucleosynthesis, when reaction flows are large, and when forward reactions are nearly balanced by their reverses, reaction flows no longer give a clear picture of the abundance evolution in the network. This paper presents a way of understanding network evolution in terms of sums of branchings on a directed graph, which extends the concept of reaction flows to allow for multiple reaction pathways.

A Comparison between Strand Spaces and Multiset Rewriting for Security Protocol Analysis

DTIC Science & Technology

2005-01-01

directed labeled graph GL is a structure (S,−→, L , Λ) where (S,−→) is a directed graph, L is a set of labels, and Λ : S → L is a labeling function that...particular, for ν ∈ S and l ∈ L , we will write “ν = l ” as an abbreviation of Λ(ν) = l . However, for ν1, ν2 ∈ S, expressions of the form “ν 1 = ν2” shall...appeared in [4]. First-order formalisms were considered only several years later in the classical work of Berry and Boudol [2], whose state-based

Role models for complex networks

NASA Astrophysics Data System (ADS)

Reichardt, J.; White, D. R.

2007-11-01

We present a framework for automatically decomposing (“block-modeling”) the functional classes of agents within a complex network. These classes are represented by the nodes of an image graph (“block model”) depicting the main patterns of connectivity and thus functional roles in the network. Using a first principles approach, we derive a measure for the fit of a network to any given image graph allowing objective hypothesis testing. From the properties of an optimal fit, we derive how to find the best fitting image graph directly from the network and present a criterion to avoid overfitting. The method can handle both two-mode and one-mode data, directed and undirected as well as weighted networks and allows for different types of links to be dealt with simultaneously. It is non-parametric and computationally efficient. The concepts of structural equivalence and modularity are found as special cases of our approach. We apply our method to the world trade network and analyze the roles individual countries play in the global economy.

Entropy, complexity, and Markov diagrams for random walk cancer models

PubMed Central

Newton, Paul K.; Mason, Jeremy; Hurt, Brian; Bethel, Kelly; Bazhenova, Lyudmila; Nieva, Jorge; Kuhn, Peter

2014-01-01

The notion of entropy is used to compare the complexity associated with 12 common cancers based on metastatic tumor distribution autopsy data. We characterize power-law distributions, entropy, and Kullback-Liebler divergence associated with each primary cancer as compared with data for all cancer types aggregated. We then correlate entropy values with other measures of complexity associated with Markov chain dynamical systems models of progression. The Markov transition matrix associated with each cancer is associated with a directed graph model where nodes are anatomical locations where a metastatic tumor could develop, and edge weightings are transition probabilities of progression from site to site. The steady-state distribution corresponds to the autopsy data distribution. Entropy correlates well with the overall complexity of the reduced directed graph structure for each cancer and with a measure of systemic interconnectedness of the graph, called graph conductance. The models suggest that grouping cancers according to their entropy values, with skin, breast, kidney, and lung cancers being prototypical high entropy cancers, stomach, uterine, pancreatic and ovarian being mid-level entropy cancers, and colorectal, cervical, bladder, and prostate cancers being prototypical low entropy cancers, provides a potentially useful framework for viewing metastatic cancer in terms of predictability, complexity, and metastatic potential. PMID:25523357

Metalloenzyme-like catalyzed isomerizations of sugars by Lewis acid zeolites

PubMed Central

Bermejo-Deval, Ricardo; Assary, Rajeev S.; Nikolla, Eranda; Moliner, Manuel; Román-Leshkov, Yuriy; Hwang, Son-Jong; Palsdottir, Arna; Silverman, Dorothy; Lobo, Raul F.; Curtiss, Larry A.; Davis, Mark E.

2012-01-01

Isomerization of sugars is used in a variety of industrially relevant processes and in glycolysis. Here, we show that hydrophobic zeolite beta with framework tin or titanium Lewis acid centers isomerizes sugars, e.g., glucose, via reaction pathways that are analogous to those of metalloenzymes. Specifically, experimental and theoretical investigations reveal that glucose partitions into the zeolite in the pyranose form, ring opens to the acyclic form in the presence of the Lewis acid center, isomerizes into the acyclic form of fructose, and finally ring closes to yield the furanose product. The zeolite catalysts provide processing advantages over metalloenzymes such as an ability to work at higher temperatures and in acidic conditions that allow for the isomerization reaction to be coupled with other important conversions. PMID:22665778

Lanthanum Tricyanide-Catalyzed Acyl Silane-Ketone Benzoin Additions and Kinetic Resolution of Resultant α-Silyloxyketones

PubMed Central

Tarr, James C.

2010-01-01

We report the full account of our efforts on the lanthanum tricyanide-catalyzed acyl silane-ketone benzoin reaction. The reaction exhibits a wide scope in both acyl silane (aryl, alkyl) and ketone (aryl-alkyl, alkyl-alkyl, aryl-aryl, alkenyl-alkyl, alkynyl-alkyl) coupling partners. The diastereoselectivity of the reaction has been examined in both cyclic and acyclic systems. Cyclohexanones give products arising from equatorial attack by the acyl silane. The diastereoselectivity of acyl silane addition to acyclic α-hydroxy ketones can be controlled by varying the protecting group to obtain either Felkin-Ahn or chelation control. The resultant α-silyloxyketone products can be resolved with selectivity factors from 10 to 15 by subjecting racemic ketone benzoin products to CBS reduction. PMID:20392127

Microbial-type terpene synthase genes occur widely in nonseed land plants, but not in seed plants

DOE PAGES

Jia, Qidong; Li, Guanglin; Köllner, Tobias G.; ...

2016-10-10

Here, the vast abundance of terpene natural products in nature is due to enzymes known as terpene synthases (TPSs) that convert acyclic prenyl diphosphate precursors into a multitude of cyclic and acyclic carbon skeletons. Yet the evolution of TPSs is not well understood at higher levels of classification. Microbial TPSs from bacteria and fungi are only distantly related to typical plant TPSs, whereas genes similar to microbial TPS genes have been recently identified in the lycophyte Selaginella moellendorffii. The goal of this study was to investigate the distribution, evolution, and biochemical functions of microbial terpene synthase-like ( MTPSL) genes inmore » other plants. By analyzing the transcriptomes of 1,103 plant species ranging from green algae to flowering plants, putative MTPSL genes were identified predominantly from nonseed plants, including liverworts, mosses, hornworts, lycophytes, and monilophytes. Directed searching for MTPSL genes in the sequenced genomes of a wide range of seed plants confirmed their general absence in this group. Among themselves, MTPSL proteins from nonseed plants form four major groups, with two of these more closely related to bacterial TPSs and the other two to fungal TPSs. Two of the four groups contain a canonical aspartate-rich “DDxxD” motif. The third group has a “DDxxxD” motif, and the fourth group has only the first two “DD” conserved in this motif. Upon heterologous expression, representative members from each of the four groups displayed diverse catalytic functions as monoterpene and sesquiterpene synthases, suggesting these are important for terpene formation in nonseed plants.« less

Microbial-type terpene synthase genes occur widely in nonseed land plants, but not in seed plants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jia, Qidong; Li, Guanglin; Köllner, Tobias G.

Here, the vast abundance of terpene natural products in nature is due to enzymes known as terpene synthases (TPSs) that convert acyclic prenyl diphosphate precursors into a multitude of cyclic and acyclic carbon skeletons. Yet the evolution of TPSs is not well understood at higher levels of classification. Microbial TPSs from bacteria and fungi are only distantly related to typical plant TPSs, whereas genes similar to microbial TPS genes have been recently identified in the lycophyte Selaginella moellendorffii. The goal of this study was to investigate the distribution, evolution, and biochemical functions of microbial terpene synthase-like ( MTPSL) genes inmore » other plants. By analyzing the transcriptomes of 1,103 plant species ranging from green algae to flowering plants, putative MTPSL genes were identified predominantly from nonseed plants, including liverworts, mosses, hornworts, lycophytes, and monilophytes. Directed searching for MTPSL genes in the sequenced genomes of a wide range of seed plants confirmed their general absence in this group. Among themselves, MTPSL proteins from nonseed plants form four major groups, with two of these more closely related to bacterial TPSs and the other two to fungal TPSs. Two of the four groups contain a canonical aspartate-rich “DDxxD” motif. The third group has a “DDxxxD” motif, and the fourth group has only the first two “DD” conserved in this motif. Upon heterologous expression, representative members from each of the four groups displayed diverse catalytic functions as monoterpene and sesquiterpene synthases, suggesting these are important for terpene formation in nonseed plants.« less

Multi-label literature classification based on the Gene Ontology graph.

PubMed

Jin, Bo; Muller, Brian; Zhai, Chengxiang; Lu, Xinghua

2008-12-08

The Gene Ontology is a controlled vocabulary for representing knowledge related to genes and proteins in a computable form. The current effort of manually annotating proteins with the Gene Ontology is outpaced by the rate of accumulation of biomedical knowledge in literature, which urges the development of text mining approaches to facilitate the process by automatically extracting the Gene Ontology annotation from literature. The task is usually cast as a text classification problem, and contemporary methods are confronted with unbalanced training data and the difficulties associated with multi-label classification. In this research, we investigated the methods of enhancing automatic multi-label classification of biomedical literature by utilizing the structure of the Gene Ontology graph. We have studied three graph-based multi-label classification algorithms, including a novel stochastic algorithm and two top-down hierarchical classification methods for multi-label literature classification. We systematically evaluated and compared these graph-based classification algorithms to a conventional flat multi-label algorithm. The results indicate that, through utilizing the information from the structure of the Gene Ontology graph, the graph-based multi-label classification methods can significantly improve predictions of the Gene Ontology terms implied by the analyzed text. Furthermore, the graph-based multi-label classifiers are capable of suggesting Gene Ontology annotations (to curators) that are closely related to the true annotations even if they fail to predict the true ones directly. A software package implementing the studied algorithms is available for the research community. Through utilizing the information from the structure of the Gene Ontology graph, the graph-based multi-label classification methods have better potential than the conventional flat multi-label classification approach to facilitate protein annotation based on the literature.

Perception in statistical graphics

NASA Astrophysics Data System (ADS)

VanderPlas, Susan Ruth

There has been quite a bit of research on statistical graphics and visualization, generally focused on new types of graphics, new software to create graphics, interactivity, and usability studies. Our ability to interpret and use statistical graphics hinges on the interface between the graph itself and the brain that perceives and interprets it, and there is substantially less research on the interplay between graph, eye, brain, and mind than is sufficient to understand the nature of these relationships. The goal of the work presented here is to further explore the interplay between a static graph, the translation of that graph from paper to mental representation (the journey from eye to brain), and the mental processes that operate on that graph once it is transferred into memory (mind). Understanding the perception of statistical graphics should allow researchers to create more effective graphs which produce fewer distortions and viewer errors while reducing the cognitive load necessary to understand the information presented in the graph. Taken together, these experiments should lay a foundation for exploring the perception of statistical graphics. There has been considerable research into the accuracy of numerical judgments viewers make from graphs, and these studies are useful, but it is more effective to understand how errors in these judgments occur so that the root cause of the error can be addressed directly. Understanding how visual reasoning relates to the ability to make judgments from graphs allows us to tailor graphics to particular target audiences. In addition, understanding the hierarchy of salient features in statistical graphics allows us to clearly communicate the important message from data or statistical models by constructing graphics which are designed specifically for the perceptual system.

Graph Structured Program Evolution: Evolution of Loop Structures

NASA Astrophysics Data System (ADS)

Shirakawa, Shinichi; Nagao, Tomoharu

Recently, numerous automatic programming techniques have been developed and applied in various fields. A typical example is genetic programming (GP), and various extensions and representations of GP have been proposed thus far. Complex programs and hand-written programs, however, may contain several loops and handle multiple data types. In this chapter, we propose a new method called Graph Structured Program Evolution (GRAPE). The representation of GRAPE is a graph structure; therefore, it can represent branches and loops using this structure. Each programis constructed as an arbitrary directed graph of nodes and a data set. The GRAPE program handles multiple data types using the data set for each type, and the genotype of GRAPE takes the form of a linear string of integers. We apply GRAPE to three test problems, factorial, exponentiation, and list sorting, and demonstrate that the optimum solution in each problem is obtained by the GRAPE system.

Isomorphism of dimer configurations and spanning trees on finite square lattices

NASA Astrophysics Data System (ADS)

Brankov, J. G.

1995-09-01

One-to-one mappings of the close-packed dimer configurations on a finite square lattice with free boundaries L onto the spanning trees of a related graph (or two-graph) G are found. The graph (two-graph) G can be constructed from L by: (1) deleting all the vertices of L with arbitrarily fixed parity of the row and column numbers; (2) suppressing all the vertices of degree 2 except those of degree 2 in L; (3) merging all the vertices of degree 1 into a single vertex g. The matrix Kirchhoff theorem reduces the enumeration problem for the spanning trees on G to the eigenvalue problem for the discrete Laplacian on the square lattice L'=G g with mixed Dirichlet-Neumann boundary conditions in at least one direction. That fact explains some of the unusual finite-size properties of the dimer model.

Non-Markovian Infection Spread Dramatically Alters the Susceptible-Infected-Susceptible Epidemic Threshold in Networks

NASA Astrophysics Data System (ADS)

Van Mieghem, P.; van de Bovenkamp, R.

2013-03-01

Most studies on susceptible-infected-susceptible epidemics in networks implicitly assume Markovian behavior: the time to infect a direct neighbor is exponentially distributed. Much effort so far has been devoted to characterize and precisely compute the epidemic threshold in susceptible-infected-susceptible Markovian epidemics on networks. Here, we report the rather dramatic effect of a nonexponential infection time (while still assuming an exponential curing time) on the epidemic threshold by considering Weibullean infection times with the same mean, but different power exponent α. For three basic classes of graphs, the Erdős-Rényi random graph, scale-free graphs and lattices, the average steady-state fraction of infected nodes is simulated from which the epidemic threshold is deduced. For all graph classes, the epidemic threshold significantly increases with the power exponents α. Hence, real epidemics that violate the exponential or Markovian assumption can behave seriously differently than anticipated based on Markov theory.

Principal curve detection in complicated graph images

NASA Astrophysics Data System (ADS)

Liu, Yuncai; Huang, Thomas S.

2001-09-01

Finding principal curves in an image is an important low level processing in computer vision and pattern recognition. Principal curves are those curves in an image that represent boundaries or contours of objects of interest. In general, a principal curve should be smooth with certain length constraint and allow either smooth or sharp turning. In this paper, we present a method that can efficiently detect principal curves in complicated map images. For a given feature image, obtained from edge detection of an intensity image or thinning operation of a pictorial map image, the feature image is first converted to a graph representation. In graph image domain, the operation of principal curve detection is performed to identify useful image features. The shortest path and directional deviation schemes are used in our algorithm os principal verve detection, which is proven to be very efficient working with real graph images.

Counterbalancing for serial order carryover effects in experimental condition orders.

PubMed

Brooks, Joseph L

2012-12-01

Reactions of neural, psychological, and social systems are rarely, if ever, independent of previous inputs and states. The potential for serial order carryover effects from one condition to the next in a sequence of experimental trials makes counterbalancing of condition order an essential part of experimental design. Here, a method is proposed for generating counterbalanced sequences for repeated-measures designs including those with multiple observations of each condition on one participant and self-adjacencies of conditions. Condition ordering is reframed as a graph theory problem. Experimental conditions are represented as vertices in a graph and directed edges between them represent temporal relationships between conditions. A counterbalanced trial order results from traversing an Euler circuit through such a graph in which each edge is traversed exactly once. This method can be generalized to counterbalance for higher order serial order carryover effects as well as to create intentional serial order biases. Modern graph theory provides tools for finding other types of paths through such graph representations, providing a tool for generating experimental condition sequences with useful properties. PsycINFO Database Record (c) 2013 APA, all rights reserved.

Earth-atmosphere system and surface reflectivities in arid regions from LANDSAT multispectral scanner measurements

NASA Technical Reports Server (NTRS)

Otterman, J.; Fraser, R. S.

1976-01-01

Programs for computing atmospheric transmission and scattering solar radiation were used to compute the ratios of the Earth-atmosphere system (space) directional reflectivities in the vertical direction to the surface reflectivity, for the four bands of the LANDSAT multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa and Central America from the spectral radiance levels measured by the LANDSAT MSS. From these space reflectivities, surface vertical reflectivities were computed applying the pertinent graphs. These surface reflectivities were used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory measurements.

An energy-efficient and secure hybrid algorithm for wireless sensor networks using a mobile data collector

NASA Astrophysics Data System (ADS)

Dayananda, Karanam Ravichandran; Straub, Jeremy

2017-05-01

This paper proposes a new hybrid algorithm for security, which incorporates both distributed and hierarchal approaches. It uses a mobile data collector (MDC) to collect information in order to save energy of sensor nodes in a wireless sensor network (WSN) as, in most networks, these sensor nodes have limited energy. Wireless sensor networks are prone to security problems because, among other things, it is possible to use a rogue sensor node to eavesdrop on or alter the information being transmitted. To prevent this, this paper introduces a security algorithm for MDC-based WSNs. A key use of this algorithm is to protect the confidentiality of the information sent by the sensor nodes. The sensor nodes are deployed in a random fashion and form group structures called clusters. Each cluster has a cluster head. The cluster head collects data from the other nodes using the time-division multiple access protocol. The sensor nodes send their data to the cluster head for transmission to the base station node for further processing. The MDC acts as an intermediate node between the cluster head and base station. The MDC, using its dynamic acyclic graph path, collects the data from the cluster head and sends it to base station. This approach is useful for applications including warfighting, intelligent building and medicine. To assess the proposed system, the paper presents a comparison of its performance with other approaches and algorithms that can be used for similar purposes.

Protein domain organisation: adding order.

PubMed

Kummerfeld, Sarah K; Teichmann, Sarah A

2009-01-29

Domains are the building blocks of proteins. During evolution, they have been duplicated, fused and recombined, to produce proteins with novel structures and functions. Structural and genome-scale studies have shown that pairs or groups of domains observed together in a protein are almost always found in only one N to C terminal order and are the result of a single recombination event that has been propagated by duplication of the multi-domain unit. Previous studies of domain organisation have used graph theory to represent the co-occurrence of domains within proteins. We build on this approach by adding directionality to the graphs and connecting nodes based on their relative order in the protein. Most of the time, the linear order of domains is conserved. However, using the directed graph representation we have identified non-linear features of domain organization that are over-represented in genomes. Recognising these patterns and unravelling how they have arisen may allow us to understand the functional relationships between domains and understand how the protein repertoire has evolved. We identify groups of domains that are not linearly conserved, but instead have been shuffled during evolution so that they occur in multiple different orders. We consider 192 genomes across all three kingdoms of life and use domain and protein annotation to understand their functional significance. To identify these features and assess their statistical significance, we represent the linear order of domains in proteins as a directed graph and apply graph theoretical methods. We describe two higher-order patterns of domain organisation: clusters and bi-directionally associated domain pairs and explore their functional importance and phylogenetic conservation. Taking into account the order of domains, we have derived a novel picture of global protein organization. We found that all genomes have a higher than expected degree of clustering and more domain pairs in forward and reverse orientation in different proteins relative to random graphs with identical degree distributions. While these features were statistically over-represented, they are still fairly rare. Looking in detail at the proteins involved, we found strong functional relationships within each cluster. In addition, the domains tended to be involved in protein-protein interaction and are able to function as independent structural units. A particularly striking example was the human Jak-STAT signalling pathway which makes use of a set of domains in a range of orders and orientations to provide nuanced signaling functionality. This illustrated the importance of functional and structural constraints (or lack thereof) on domain organisation.

A novel line segment detection algorithm based on graph search

NASA Astrophysics Data System (ADS)

Zhao, Hong-dan; Liu, Guo-ying; Song, Xu

2018-02-01

To overcome the problem of extracting line segment from an image, a method of line segment detection was proposed based on the graph search algorithm. After obtaining the edge detection result of the image, the candidate straight line segments are obtained in four directions. For the candidate straight line segments, their adjacency relationships are depicted by a graph model, based on which the depth-first search algorithm is employed to determine how many adjacent line segments need to be merged. Finally we use the least squares method to fit the detected straight lines. The comparative experimental results verify that the proposed algorithm has achieved better results than the line segment detector (LSD).

Information Measures of Degree Distributions with an Application to Labeled Graphs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joslyn, Cliff A.; Purvine, Emilie AH

2016-01-11

The problem of describing the distribution of labels over a set of objects is relevant to many domains. For example: cyber security, social media, and protein interactions all care about the manner in which labels are distributed among different objects. In this paper we present three interacting statistical measures on label distributions, inspired by entropy and information theory. Labeled graphs are discussed as a specific case of labels distributed over a set of edges. We describe a use case in cyber security using a labeled directed multi-graph of IPFLOW. Finally we show how these measures respond when labels are updatedmore » in certain ways.« less

Face recognition based on two-dimensional discriminant sparse preserving projection

NASA Astrophysics Data System (ADS)

Zhang, Dawei; Zhu, Shanan

2018-04-01

In this paper, a supervised dimensionality reduction algorithm named two-dimensional discriminant sparse preserving projection (2DDSPP) is proposed for face recognition. In order to accurately model manifold structure of data, 2DDSPP constructs within-class affinity graph and between-class affinity graph by the constrained least squares (LS) and l1 norm minimization problem, respectively. Based on directly operating on image matrix, 2DDSPP integrates graph embedding (GE) with Fisher criterion. The obtained projection subspace preserves within-class neighborhood geometry structure of samples, while keeping away samples from different classes. The experimental results on the PIE and AR face databases show that 2DDSPP can achieve better recognition performance.

Adaptive random walks on the class of Web graphs

NASA Astrophysics Data System (ADS)

Tadić, B.

2001-09-01

We study random walk with adaptive move strategies on a class of directed graphs with variable wiring diagram. The graphs are grown from the evolution rules compatible with the dynamics of the world-wide Web [B. Tadić, Physica A 293, 273 (2001)], and are characterized by a pair of power-law distributions of out- and in-degree for each value of the parameter β, which measures the degree of rewiring in the graph. The walker adapts its move strategy according to locally available information both on out-degree of the visited node and in-degree of target node. A standard random walk, on the other hand, uses the out-degree only. We compute the distribution of connected subgraphs visited by an ensemble of walkers, the average access time and survival probability of the walks. We discuss these properties of the walk dynamics relative to the changes in the global graph structure when the control parameter β is varied. For β≥ 3, corresponding to the world-wide Web, the access time of the walk to a given level of hierarchy on the graph is much shorter compared to the standard random walk on the same graph. By reducing the amount of rewiring towards rigidity limit β↦βc≲ 0.1, corresponding to the range of naturally occurring biochemical networks, the survival probability of adaptive and standard random walk become increasingly similar. The adaptive random walk can be used as an efficient message-passing algorithm on this class of graphs for large degree of rewiring.

Visualization of Morse connection graphs for topologically rich 2D vector fields.

PubMed

Szymczak, Andrzej; Sipeki, Levente

2013-12-01

Recent advances in vector field topologymake it possible to compute its multi-scale graph representations for autonomous 2D vector fields in a robust and efficient manner. One of these representations is a Morse Connection Graph (MCG), a directed graph whose nodes correspond to Morse sets, generalizing stationary points and periodic trajectories, and arcs - to trajectories connecting them. While being useful for simple vector fields, the MCG can be hard to comprehend for topologically rich vector fields, containing a large number of features. This paper describes a visual representation of the MCG, inspired by previous work on graph visualization. Our approach aims to preserve the spatial relationships between the MCG arcs and nodes and highlight the coherent behavior of connecting trajectories. Using simulations of ocean flow, we show that it can provide useful information on the flow structure. This paper focuses specifically on MCGs computed for piecewise constant (PC) vector fields. In particular, we describe extensions of the PC framework that make it more flexible and better suited for analysis of data on complex shaped domains with a boundary. We also describe a topology simplification scheme that makes our MCG visualizations less ambiguous. Despite the focus on the PC framework, our approach could also be applied to graph representations or topological skeletons computed using different methods.

Scale-free characteristics of random networks: the topology of the world-wide web

NASA Astrophysics Data System (ADS)

Barabási, Albert-László; Albert, Réka; Jeong, Hawoong

2000-06-01

The world-wide web forms a large directed graph, whose vertices are documents and edges are links pointing from one document to another. Here we demonstrate that despite its apparent random character, the topology of this graph has a number of universal scale-free characteristics. We introduce a model that leads to a scale-free network, capturing in a minimal fashion the self-organization processes governing the world-wide web.

Assumption Trade-Offs When Choosing Identification Strategies for Pre-Post Treatment Effect Estimation: An Illustration of a Community-Based Intervention in Madagascar.

PubMed

Weber, Ann M; van der Laan, Mark J; Petersen, Maya L

2015-03-01

Failure (or success) in finding a statistically significant effect of a large-scale intervention may be due to choices made in the evaluation. To highlight the potential limitations and pitfalls of some common identification strategies used for estimating causal effects of community-level interventions, we apply a roadmap for causal inference to a pre-post evaluation of a national nutrition program in Madagascar. Selection into the program was non-random and strongly associated with the pre-treatment (lagged) outcome. Using structural causal models (SCM), directed acyclic graphs (DAGs) and simulated data, we illustrate that an estimand with the outcome defined as the post-treatment outcome controls for confounding by the lagged outcome but not by possible unmeasured confounders. Two separate differencing estimands (of the pre- and post-treatment outcome) have the potential to adjust for a certain type of unmeasured confounding, but introduce bias if the additional identification assumptions they rely on are not met. In order to illustrate the practical impact of choice between three common identification strategies and their corresponding estimands, we used observational data from the community nutrition program in Madagascar to estimate each of these three estimands. Specifically, we estimated the average treatment effect of the program on the community mean nutritional status of children 5 years and under and found that the estimate based on the post-treatment estimand was about a quarter of the magnitude of either of the differencing estimands (0.066 SD vs. 0.26-0.27 SD increase in mean weight-for-age z-score). Choice of estimand clearly has important implications for the interpretation of the success of the program to improve nutritional status of young children. A careful appraisal of the assumptions underlying the causal model is imperative before committing to a statistical model and progressing to estimation. However, knowledge about the data-generating process must be sufficient in order to choose the identification strategy that gets us closest to the truth.

Cellular processes involved in human epidermal cells exposed to extremely low frequency electric fields.

PubMed

Collard, J-F; Hinsenkamp, M

2015-05-01

We observed on different tissues and organisms a biological response after exposure to pulsed low frequency and low amplitude electric or electromagnetic fields but the precise mechanism of cell response remains unknown. The aim of this publication is to understand, using bioinformatics, the biological relevance of processes involved in the modification of gene expression. The list of genes analyzed was obtained after microarray protocol realized on cultures of human epidermal explants growing on deepidermized human skin exposed to a pulsed low frequency electric field. The directed acyclic graph on a WebGestalt Gene Ontology module shows six categories under the biological process root: "biological regulation", "cellular process", "cell proliferation", "death", "metabolic process" and "response to stimulus". Enriched derived categories are coherent with the type of in vitro culture, the stimulation protocol or with the previous results showing a decrease of cell proliferation and an increase of differentiation. The Kegg module on WebGestalt has highlighted "cell cycle" and "p53 signaling pathway" as significantly involved. The Kegg website brings out interactions between FoxO, MAPK, JNK, p53, p38, PI3K/Akt, Wnt, mTor or NF-KappaB. Some genes expressed by the stimulation are known to have an exclusive function on these pathways. Analyses performed with Pathway Studio linked cell proliferation, cell differentiation, apoptosis, cell cycle, mitosis, cell death etc. with our microarrays results. Medline citation generated by the software and the fold change variation confirms a diminution of the proliferation, activation of the differentiation and a less well-defined role of apoptosis or wound healing. Wnt and DKK functional classes, DKK1, MACF1, ATF3, MME, TXNRD1, and BMP-2 genes proposed in previous publications after a manual analysis are also highlighted with other genes after Pathway Studio automatic procedure. Finally, an analysis conducted on a list of genes characterized by an accelerated regulation after extremely low frequency pulsed stimulation also confirms their role in the processes of cell proliferation and differentiation. Bioinformatics approach allows in-depth research, without the bias of pre-selection, on cellular processes involved in a huge gene list. Copyright © 2015 Elsevier Inc. All rights reserved.

An example of complex modelling in dentistry using Markov chain Monte Carlo (MCMC) simulation.

PubMed

Helfenstein, Ulrich; Menghini, Giorgio; Steiner, Marcel; Murati, Francesca

2002-09-01

In the usual regression setting one regression line is computed for a whole data set. In a more complex situation, each person may be observed for example at several points in time and thus a regression line might be calculated for each person. Additional complexities, such as various forms of errors in covariables may make a straightforward statistical evaluation difficult or even impossible. During recent years methods have been developed allowing convenient analysis of problems where the data and the corresponding models show these and many other forms of complexity. The methodology makes use of a Bayesian approach and Markov chain Monte Carlo (MCMC) simulations. The methods allow the construction of increasingly elaborate models by building them up from local sub-models. The essential structure of the models can be represented visually by directed acyclic graphs (DAG). This attractive property allows communication and discussion of the essential structure and the substantial meaning of a complex model without needing algebra. After presentation of the statistical methods an example from dentistry is presented in order to demonstrate their application and use. The dataset of the example had a complex structure; each of a set of children was followed up over several years. The number of new fillings in permanent teeth had been recorded at several ages. The dependent variables were markedly different from the normal distribution and could not be transformed to normality. In addition, explanatory variables were assumed to be measured with different forms of error. Illustration of how the corresponding models can be estimated conveniently via MCMC simulation, in particular, 'Gibbs sampling', using the freely available software BUGS is presented. In addition, how the measurement error may influence the estimates of the corresponding coefficients is explored. It is demonstrated that the effect of the independent variable on the dependent variable may be markedly underestimated if the measurement error is not taken into account ('regression dilution bias'). Markov chain Monte Carlo methods may be of great value to dentists in allowing analysis of data sets which exhibit a wide range of different forms of complexity.

Sample prep for proteomics of breast cancer: proteomics and gene ontology reveal dramatic differences in protein solubilization preferences of radioimmunoprecipitation assay and urea lysis buffers

PubMed Central

Ngoka, Lambert CM

2008-01-01

Background An important step in the proteomics of solid tumors, including breast cancer, consists of efficiently extracting most of proteins in the tumor specimen. For this purpose, Radio-Immunoprecipitation Assay (RIPA) buffer is widely employed. RIPA buffer's rapid and highly efficient cell lysis and good solubilization of a wide range of proteins is further augmented by its compatibility with protease and phosphatase inhibitors, ability to minimize non-specific protein binding leading to a lower background in immunoprecipitation, and its suitability for protein quantitation. Results In this work, the insoluble matter left after RIPA buffer extraction of proteins from breast tumors are subjected to another extraction step, using a urea-based buffer. It is shown that RIPA and urea lysis buffers fractionate breast tissue proteins primarily on the basis of molecular weights. The average molecular weight of proteins that dissolve exclusively in urea buffer is up to 60% higher than in RIPA. Gene Ontology (GO) and Directed Acyclic Graphs (DAG) are used to map the collective biological and biophysical attributes of the RIPA and urea proteomes. The Cellular Component and Molecular Function annotations reveal protein solubilization preferences of the buffers, especially the compartmentalization and functional distributions. It is shown that nearly all extracellular matrix proteins (ECM) in the breast tumors and matched normal tissues are found, nearly exclusively, in the urea fraction, while they are mostly insoluble in RIPA buffer. Additionally, it is demonstrated that cytoskeletal and extracellular region proteins are more soluble in urea than in RIPA, whereas for nuclear, cytoplasmic and mitochondrial proteins, RIPA buffer is preferred. Extracellular matrix proteins are highly implicated in cancer, including their proteinase-mediated degradation and remodelling, tumor development, progression, adhesion and metastasis. Thus, if they are not efficiently extracted by RIPA buffer, important information may be missed in cancer research. Conclusion For proteomics of solid tumors, a two-step extraction process is recommended. First, proteins in the tumor specimen should be extracted with RIPA buffer. Second, the RIPA-insoluble material should be extracted with the urea-based buffer employed in this work. PMID:18950484

Theoretical analysis of single molecule spectroscopy lineshapes of conjugated polymers

NASA Astrophysics Data System (ADS)

Devi, Murali

Conjugated Polymers(CPs) exhibit a wide range of highly tunable optical properties. Quantitative and detailed understanding of the nature of excitons responsible for such a rich optical behavior has significant implications for better utilization of CPs for more efficient plastic solar cells and other novel optoelectronic devices. In general, samples of CPs are plagued with substantial inhomogeneous broadening due to various sources of disorder. Single molecule emission spectroscopy (SMES) offers a unique opportunity to investigate the energetics and dynamics of excitons and their interactions with phonon modes. The major subject of the present thesis is to analyze and understand room temperature SMES lineshapes for a particular CP, called poly(2,5-di-(2'-ethylhexyloxy)-1,4-phenylenevinylene) (DEH-PPV). A minimal quantum mechanical model of a two-level system coupled to a Brownian oscillator bath is utilized. The main objective is to identify the set of model parameters best fitting a SMES lineshape for each of about 200 samples of DEH-PPV, from which new insight into the nature of exciton-bath coupling can be gained. This project also entails developing a reliable computational methodology for quantum mechanical modeling of spectral lineshapes in general. Well-known optimization techniques such as gradient descent, genetic algorithms, and heuristic searches have been tested, employing an L2 measure between theoretical and experimental lineshapes for guiding the optimization. However, all of these tend to result in theoretical lineshapes qualitatively different from experimental ones. This is attributed to the ruggedness of the parameter space and inadequateness of the L2 measure. On the other hand, when the dynamic reduction of the original parameter space to a 2-parameter space through feature searching and visualization of the search space paths using directed acyclic graphs(DAGs), the qualitative nature of the fitting improved significantly. For a more satisfactory fitting, it is shown that the inclusion of an additional energetic disorder is essential, representing the effect of quasi-static disorder accumulated during the SMES of each polymer. Various technical details, ambiguous issues, and implication of the present work are discussed.

How to Direct the Edges of the Connectomes: Dynamics of the Consensus Connectomes and the Development of the Connections in the Human Brain.

PubMed

Kerepesi, Csaba; Szalkai, Balázs; Varga, Bálint; Grolmusz, Vince

2016-01-01

The human braingraph or the connectome is the object of an intensive research today. The advantage of the graph-approach to brain science is that the rich structures, algorithms and definitions of graph theory can be applied to the anatomical networks of the connections of the human brain. In these graphs, the vertices correspond to the small (1-1.5 cm2) areas of the gray matter, and two vertices are connected by an edge, if a diffusion-MRI based workflow finds fibers of axons, running between those small gray matter areas in the white matter of the brain. One main question of the field today is discovering the directions of the connections between the small gray matter areas. In a previous work we have reported the construction of the Budapest Reference Connectome Server http://connectome.pitgroup.org from the data recorded in the Human Connectome Project of the NIH. The server generates the consensus braingraph of 96 subjects in Version 2, and of 418 subjects in Version 3, according to selectable parameters. After the Budapest Reference Connectome Server had been published, we recognized a surprising and unforeseen property of the server. The server can generate the braingraph of connections that are present in at least k graphs out of the 418, for any value of k = 1, 2, …, 418. When the value of k is changed from k = 418 through 1 by moving a slider at the webserver from right to left, certainly more and more edges appear in the consensus graph. The astonishing observation is that the appearance of the new edges is not random: it is similar to a growing shrub. We refer to this phenomenon as the Consensus Connectome Dynamics. We hypothesize that this movement of the slider in the webserver may copy the development of the connections in the human brain in the following sense: the connections that are present in all subjects are the oldest ones, and those that are present only in a decreasing fraction of the subjects are gradually the newer connections in the individual brain development. An animation on the phenomenon is available at https://youtu.be/yxlyudPaVUE. Based on this observation and the related hypothesis, we can assign directions to some of the edges of the connectome as follows: Let Gk + 1 denote the consensus connectome where each edge is present in at least k+1 graphs, and let Gk denote the consensus connectome where each edge is present in at least k graphs. Suppose that vertex v is not connected to any other vertices in Gk+1, and becomes connected to a vertex u in Gk, where u was connected to other vertices already in Gk+1. Then we direct this (v, u) edge from v to u.

An evaluation of the directed flow graph methodology

NASA Technical Reports Server (NTRS)

Snyder, W. E.; Rajala, S. A.

1984-01-01

The applicability of the Directed Graph Methodology (DGM) to the design and analysis of special purpose image and signal processing hardware was evaluated. A special purpose image processing system was designed and described using DGM. The design, suitable for very large scale integration (VLSI) implements a region labeling technique. Two computer chips were designed, both using metal-nitride-oxide-silicon (MNOS) technology, as well as a functional system utilizing those chips to perform real time region labeling. The system is described in terms of DGM primitives. As it is currently implemented, DGM is inappropriate for describing synchronous, tightly coupled, special purpose systems. The nature of the DGM formalism lends itself more readily to modeling networks of general purpose processors.

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

PubMed Central

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

The hydrolysis of geminal ethers: a kinetic appraisal of orthoesters and ketals.

PubMed

Repetto, Sonia L; Costello, James F; Butts, Craig P; Lam, Joseph K W; Ratcliffe, Norman M

2016-01-01

A novel approach to protecting jet fuel against the effects of water contamination is predicated upon the coupling of the rapid hydrolysis reactions of lipophilic cyclic geminal ethers, with the concomitant production of a hydrophilic acyclic hydroxyester with de-icing properties (Fuel Dehydrating Icing Inhibitors - FDII). To this end, a kinetic appraisal of the hydrolysis reactions of representative geminal ethers was undertaken using a convenient surrogate for the fuel-water interface (D2O/CD3CN 1:4). We present here a library of acyclic and five/six-membered cyclic geminal ethers arranged according to their hydroxonium catalytic coefficients for hydrolysis, providing for the first time a framework for the development of FDII. A combination of (1)H NMR, labelling and computational studies was used to assess the effects that may govern the observed relative rates of hydrolyses.

Coexistence of cyclic (CH3OH)2(H2O)8 heterodecamer and acyclic water trimer in the channels of silver-azelate framework

NASA Astrophysics Data System (ADS)

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, Dong-Xu; Dai, Jing-Cao

2012-08-01

Flexible azelaic acid (H2aze) and 1,3-bis(4-pyridyl)propane) (bpp) react ultrasonically with silver(I) oxide, generating a new metal-organic framework [Ag2(bpp)2(aze)·7H2O·CH3OH]n (1) that forms a 3D supramolecular structure through H-bonding interactions between solvent molecules and carboxylate O atoms with void spaces. Two kinds of solvent clusters, discrete cyclic (CH3OH)2(H2O)8 heterodecameric and acyclic water trimeric clusters occupy the channels in the structure. Furthermore, 1 exhibits strong photoluminescence maximized at 500 nm upon 350 nm excitation at room temperature, of which CIE chromaticity ordinate (x = 0.28, y = 0.44) is close to that of edge of green component.

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

PubMed

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 streamline tractography algorithms or the assumption of a noise distribution. Moreover, the BootGraph can be applied to common DTI data sets without further modifications and shows a high repeatability. Thus, it is very well suited for longitudinal studies and meta-studies based on DTI. Copyright © 2012 Elsevier Inc. All rights reserved.

Automatic micropropagation of plants--the vision-system: graph rewriting as pattern recognition

NASA Astrophysics Data System (ADS)

Schwanke, Joerg; Megnet, Roland; Jensch, Peter F.

1993-03-01

The automation of plant-micropropagation is necessary to produce high amounts of biomass. Plants have to be dissected on particular cutting-points. A vision-system is needed for the recognition of the cutting-points on the plants. With this background, this contribution is directed to the underlying formalism to determine cutting-points on abstract-plant models. We show the usefulness of pattern recognition by graph-rewriting along with some examples in this context.

Optimizing the Replication of Multi-Quality Web Applications Using ACO and WoLF

DTIC Science & Technology

2006-09-14

bipartite graph in both directions as they construct solutions, pheromone is used for traversing from one side of the bipartite graph to the other and back...27 3.1.3 Transitioning From 〈d, q〉 pairs to Servers. . . . . 29 3.1.4 Pheromone Update Rule . . . . . . . . . . . . . . 30 vi Page 3.2 WoLFAntDA: A...35 3.2.6 Pheromone Update Rule . . . . . . . . . . . . . . 36 3.2.7 Policy Updates . . . . . . . . . . . . . . . . . . . 36 3.3 The Server-Filling

A novel model for DNA sequence similarity analysis based on graph theory.

PubMed

Qi, Xingqin; Wu, Qin; Zhang, Yusen; Fuller, Eddie; Zhang, Cun-Quan

2011-01-01

Determination of sequence similarity is one of the major steps in computational phylogenetic studies. As we know, during evolutionary history, not only DNA mutations for individual nucleotide but also subsequent rearrangements occurred. It has been one of major tasks of computational biologists to develop novel mathematical descriptors for similarity analysis such that various mutation phenomena information would be involved simultaneously. In this paper, different from traditional methods (eg, nucleotide frequency, geometric representations) as bases for construction of mathematical descriptors, we construct novel mathematical descriptors based on graph theory. In particular, for each DNA sequence, we will set up a weighted directed graph. The adjacency matrix of the directed graph will be used to induce a representative vector for DNA sequence. This new approach measures similarity based on both ordering and frequency of nucleotides so that much more information is involved. As an application, the method is tested on a set of 0.9-kb mtDNA sequences of twelve different primate species. All output phylogenetic trees with various distance estimations have the same topology, and are generally consistent with the reported results from early studies, which proves the new method's efficiency; we also test the new method on a simulated data set, which shows our new method performs better than traditional global alignment method when subsequent rearrangements happen frequently during evolutionary history.

Kernel approach to molecular similarity based on iterative graph similarity.

PubMed

Rupp, Matthias; Proschak, Ewgenij; Schneider, Gisbert

2007-01-01

Similarity measures for molecules are of basic importance in chemical, biological, and pharmaceutical applications. We introduce a molecular similarity measure defined directly on the annotated molecular graph, based on iterative graph similarity and optimal assignments. We give an iterative algorithm for the computation of the proposed molecular similarity measure, prove its convergence and the uniqueness of the solution, and provide an upper bound on the required number of iterations necessary to achieve a desired precision. Empirical evidence for the positive semidefiniteness of certain parametrizations of our function is presented. We evaluated our molecular similarity measure by using it as a kernel in support vector machine classification and regression applied to several pharmaceutical and toxicological data sets, with encouraging results.

Figure-ground segmentation based on class-independent shape priors

NASA Astrophysics Data System (ADS)

Li, Yang; Liu, Yang; Liu, Guojun; Guo, Maozu

2018-01-01

We propose a method to generate figure-ground segmentation by incorporating shape priors into the graph-cuts algorithm. Given an image, we first obtain a linear representation of an image and then apply directional chamfer matching to generate class-independent, nonparametric shape priors, which provide shape clues for the graph-cuts algorithm. We then enforce shape priors in a graph-cuts energy function to produce object segmentation. In contrast to previous segmentation methods, the proposed method shares shape knowledge for different semantic classes and does not require class-specific model training. Therefore, the approach obtains high-quality segmentation for objects. We experimentally validate that the proposed method outperforms previous approaches using the challenging PASCAL VOC 2010/2012 and Berkeley (BSD300) segmentation datasets.

Planification de trajectoires pour une flotte d'UAVs

NASA Astrophysics Data System (ADS)

Ait El Cadi, Abdessamad

In this thesis we address the problem of coordinating and controlling a fleet of Unmanned Aerial Vehicles (UAVs) during a surveillance mission in a dynamic context. The problem is vast and is related to several scientific domains. We have studied three important parts of this problem: • modeling the ground with all its constraints; • computing a shortest non-holonomic continuous path in a risky environment with a presence of obstacles; • planning a surveillance mission for a fleet of UAVs in a real context. While investigating the scientific literature related to these topics, we have detected deficiencies in the modeling of the ground and in the computation of the shortest continuous path, two critical aspects for the planning of a mission. So after the literature review, we have proposed answers to these two aspects and have applied our developments to the planning of a mission of a fleet of UAVs in a risky environment with the presence of obstacles. Obstacles could be natural like mountain or any non flyable zone. We have first modeled the ground as a directed graph. However, instead of using a classic mesh, we opted for an intelligent modeling that reduces the computing time on the graph without losing accuracy. The proposed model is based on the concept of visibility graph, and it also takes into account the obstacles, the danger areas and the constraint of non-holonomy of the UAVs- the kinematic constraint of the planes that imposes a maximum steering angle. The graph is then cleaned to keep only the minimum information needed for the calculation of trajectories. The generation of this graph possibly requires a lot of computation time, but it is done only once before the planning and will not affect the performance of trajectory calculations. We have also developed another simpler graph that does not take into account the constraint of non-holonomy. The advantage of this second graph is that it reduces the computation time. However, it requires the use of a correction procedure to make the resulting trajectory non-holonomic. This correction is possible within the context of our missions, but not for all types of autonomous vehicles. Once the directed graph is generated, we propose the use of a procedure for calculating the shortest continuous non-holonomic path in a risky environment with the presence of obstacles. The directed graph already incorporates all the constraints, which makes it possible to model the problem as a shortest path problem with resource a resource constraint (the resource here is the amount of permitted risk). The results are very satisfactory since the resulting routes are non-holonomic paths that meet all constraints. Moreover, the computing time is very short. For cases based on the simpler graph, we have created a procedure for correcting the trajectory to make it non-holonomic. All calculations of non-holonomy are based on Dubins curves (1957). We have finally applied our results to the planning of a mission of a fleet of UAVs in a risky environment with the presence of obstacles. For this purpose, we have developed a directed multi-graph where, for each pair of targets (points of departure and return of the mission included), we calculate a series of shorter trajectories with different limits of risk -- from the risk-free path to the riskiest path. We then use a Tabu Search with two tabu lists. Using these procedures, we have been able to produce routes for a fleet of UAVs that minimize the cost of the mission while respecting the limit of risk and avoiding obstacles. Tests are conducted on examples created on the basis of descriptions given by the Canadian Defense and, also on some instances of the CVRP (Capacitated Vehicle Routing Problem), those described by Christofides et Elion and those described by Christofides, Mingozzi et Toth. The results are of very satisfactory since all trajectories are non-holonomic and the improvement of the objective, when compared to a simple constructive method, achieves in some cases between 10 % and 43 %. We have even obtained an improvement of 69 %, but on a poor solution generated by a greedy algorithm. (Abstract shortened by UMI.)

Using a high-dimensional graph of semantic space to model relationships among words

PubMed Central

Jackson, Alice F.; Bolger, Donald J.

2014-01-01

The GOLD model (Graph Of Language Distribution) is a network model constructed based on co-occurrence in a large corpus of natural language that may be used to explore what information may be present in a graph-structured model of language, and what information may be extracted through theoretically-driven algorithms as well as standard graph analysis methods. The present study will employ GOLD to examine two types of relationship between words: semantic similarity and associative relatedness. Semantic similarity refers to the degree of overlap in meaning between words, while associative relatedness refers to the degree to which two words occur in the same schematic context. It is expected that a graph structured model of language constructed based on co-occurrence should easily capture associative relatedness, because this type of relationship is thought to be present directly in lexical co-occurrence. However, it is hypothesized that semantic similarity may be extracted from the intersection of the set of first-order connections, because two words that are semantically similar may occupy similar thematic or syntactic roles across contexts and thus would co-occur lexically with the same set of nodes. Two versions the GOLD model that differed in terms of the co-occurence window, bigGOLD at the paragraph level and smallGOLD at the adjacent word level, were directly compared to the performance of a well-established distributional model, Latent Semantic Analysis (LSA). The superior performance of the GOLD models (big and small) suggest that a single acquisition and storage mechanism, namely co-occurrence, can account for associative and conceptual relationships between words and is more psychologically plausible than models using singular value decomposition (SVD). PMID:24860525

Using a high-dimensional graph of semantic space to model relationships among words.

PubMed

Jackson, Alice F; Bolger, Donald J

2014-01-01

The GOLD model (Graph Of Language Distribution) is a network model constructed based on co-occurrence in a large corpus of natural language that may be used to explore what information may be present in a graph-structured model of language, and what information may be extracted through theoretically-driven algorithms as well as standard graph analysis methods. The present study will employ GOLD to examine two types of relationship between words: semantic similarity and associative relatedness. Semantic similarity refers to the degree of overlap in meaning between words, while associative relatedness refers to the degree to which two words occur in the same schematic context. It is expected that a graph structured model of language constructed based on co-occurrence should easily capture associative relatedness, because this type of relationship is thought to be present directly in lexical co-occurrence. However, it is hypothesized that semantic similarity may be extracted from the intersection of the set of first-order connections, because two words that are semantically similar may occupy similar thematic or syntactic roles across contexts and thus would co-occur lexically with the same set of nodes. Two versions the GOLD model that differed in terms of the co-occurence window, bigGOLD at the paragraph level and smallGOLD at the adjacent word level, were directly compared to the performance of a well-established distributional model, Latent Semantic Analysis (LSA). The superior performance of the GOLD models (big and small) suggest that a single acquisition and storage mechanism, namely co-occurrence, can account for associative and conceptual relationships between words and is more psychologically plausible than models using singular value decomposition (SVD).

Unsupervised object segmentation with a hybrid graph model (HGM).

PubMed

Liu, Guangcan; Lin, Zhouchen; Yu, Yong; Tang, Xiaoou

2010-05-01

In this work, we address the problem of performing class-specific unsupervised object segmentation, i.e., automatic segmentation without annotated training images. Object segmentation can be regarded as a special data clustering problem where both class-specific information and local texture/color similarities have to be considered. To this end, we propose a hybrid graph model (HGM) that can make effective use of both symmetric and asymmetric relationship among samples. The vertices of a hybrid graph represent the samples and are connected by directed edges and/or undirected ones, which represent the asymmetric and/or symmetric relationship between them, respectively. When applied to object segmentation, vertices are superpixels, the asymmetric relationship is the conditional dependence of occurrence, and the symmetric relationship is the color/texture similarity. By combining the Markov chain formed by the directed subgraph and the minimal cut of the undirected subgraph, the object boundaries can be determined for each image. Using the HGM, we can conveniently achieve simultaneous segmentation and recognition by integrating both top-down and bottom-up information into a unified process. Experiments on 42 object classes (9,415 images in total) show promising results.

Finding Maximum Cliques on the D-Wave Quantum Annealer

DOE PAGES

Chapuis, Guillaume; Djidjev, Hristo; Hahn, Georg; ...

2018-05-03

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, andmore » compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.« less

Layered data association using graph-theoretic formulation with applications to tennis ball tracking in monocular sequences.

PubMed

Yan, Fei; Christmas, William; Kittler, Josef

2008-10-01

In this paper, we propose a multilayered data association scheme with graph-theoretic formulation for tracking multiple objects that undergo switching dynamics in clutter. The proposed scheme takes as input object candidates detected in each frame. At the object candidate level, "tracklets'' are "grown'' from sets of candidates that have high probabilities of containing only true positives. At the tracklet level, a directed and weighted graph is constructed, where each node is a tracklet, and the edge weight between two nodes is defined according to the "compatibility'' of the two tracklets. The association problem is then formulated as an all-pairs shortest path (APSP) problem in this graph. Finally, at the path level, by analyzing the APSPs, all object trajectories are identified, and track initiation and track termination are automatically dealt with. By exploiting a special topological property of the graph, we have also developed a more efficient APSP algorithm than the general-purpose ones. The proposed data association scheme is applied to tennis sequences to track tennis balls. Experiments show that it works well on sequences where other data association methods perform poorly or fail completely.

Finding Maximum Cliques on the D-Wave Quantum Annealer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chapuis, Guillaume; Djidjev, Hristo; Hahn, Georg

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, andmore » compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.« less

MorphoGraphX: A platform for quantifying morphogenesis in 4D.

PubMed

Barbier de Reuille, Pierre; Routier-Kierzkowska, Anne-Lise; Kierzkowski, Daniel; Bassel, George W; Schüpbach, Thierry; Tauriello, Gerardo; Bajpai, Namrata; Strauss, Sören; Weber, Alain; Kiss, Annamaria; Burian, Agata; Hofhuis, Hugo; Sapala, Aleksandra; Lipowczan, Marcin; Heimlicher, Maria B; Robinson, Sarah; Bayer, Emmanuelle M; Basler, Konrad; Koumoutsakos, Petros; Roeder, Adrienne H K; Aegerter-Wilmsen, Tinri; Nakayama, Naomi; Tsiantis, Miltos; Hay, Angela; Kwiatkowska, Dorota; Xenarios, Ioannis; Kuhlemeier, Cris; Smith, Richard S

2015-05-06

Morphogenesis emerges from complex multiscale interactions between genetic and mechanical processes. To understand these processes, the evolution of cell shape, proliferation and gene expression must be quantified. This quantification is usually performed either in full 3D, which is computationally expensive and technically challenging, or on 2D planar projections, which introduces geometrical artifacts on highly curved organs. Here we present MorphoGraphX ( www.MorphoGraphX.org), a software that bridges this gap by working directly with curved surface images extracted from 3D data. In addition to traditional 3D image analysis, we have developed algorithms to operate on curved surfaces, such as cell segmentation, lineage tracking and fluorescence signal quantification. The software's modular design makes it easy to include existing libraries, or to implement new algorithms. Cell geometries extracted with MorphoGraphX can be exported and used as templates for simulation models, providing a powerful platform to investigate the interactions between shape, genes and growth.

Structural factoring approach for analyzing stochastic networks

NASA Technical Reports Server (NTRS)

Hayhurst, Kelly J.; Shier, Douglas R.

1991-01-01

The problem of finding the distribution of the shortest path length through a stochastic network is investigated. A general algorithm for determining the exact distribution of the shortest path length is developed based on the concept of conditional factoring, in which a directed, stochastic network is decomposed into an equivalent set of smaller, generally less complex subnetworks. Several network constructs are identified and exploited to reduce significantly the computational effort required to solve a network problem relative to complete enumeration. This algorithm can be applied to two important classes of stochastic path problems: determining the critical path distribution for acyclic networks and the exact two-terminal reliability for probabilistic networks. Computational experience with the algorithm was encouraging and allowed the exact solution of networks that have been previously analyzed only by approximation techniques.

Scalable Triadic Analysis of Large-Scale Graphs: Multi-Core vs. Multi-Processor vs. Multi-Threaded Shared Memory Architectures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chin, George; Marquez, Andres; Choudhury, Sutanay

2012-09-01

Triadic analysis encompasses a useful set of graph mining methods that is centered on the concept of a triad, which is a subgraph of three nodes and the configuration of directed edges across the nodes. Such methods are often applied in the social sciences as well as many other diverse fields. Triadic methods commonly operate on a triad census that counts the number of triads of every possible edge configuration in a graph. Like other graph algorithms, triadic census algorithms do not scale well when graphs reach tens of millions to billions of nodes. To enable the triadic analysis ofmore » large-scale graphs, we developed and optimized a triad census algorithm to efficiently execute on shared memory architectures. We will retrace the development and evolution of a parallel triad census algorithm. Over the course of several versions, we continually adapted the code’s data structures and program logic to expose more opportunities to exploit parallelism on shared memory that would translate into improved computational performance. We will recall the critical steps and modifications that occurred during code development and optimization. Furthermore, we will compare the performances of triad census algorithm versions on three specific systems: Cray XMT, HP Superdome, and AMD multi-core NUMA machine. These three systems have shared memory architectures but with markedly different hardware capabilities to manage parallelism.« less

Distance Magic-Type and Distance Antimagic-Type Labelings of Graphs

NASA Astrophysics Data System (ADS)

Freyberg, Bryan J.

Generally speaking, a distance magic-type labeling of a graph G of order n is a bijection l from the vertex set of the graph to the first n natural numbers or to the elements of a group of order n, with the property that the weight of each vertex is the same. The weight of a vertex x is defined as the sum (or appropriate group operation) of all the labels of vertices adjacent to x. If instead we require that all weights differ, then we refer to the labeling as a distance antimagic-type labeling. This idea can be generalized for directed graphs; the weight will take into consideration the direction of the arcs. In this manuscript, we provide new results for d-handicap labeling, a distance antimagic-type labeling, and introduce a new distance magic-type labeling called orientable Gamma-distance magic labeling. A d-handicap distance antimagic labeling (or just d-handicap labeling for short) of a graph G = ( V,E) of order n is a bijection l from V to the set {1,2,...,n} with induced weight function [special characters omitted]. such that l(xi) = i and the sequence of weights w(x 1),w(x2),...,w (xn) forms an arithmetic sequence with constant difference d at least 1. If a graph G admits a d-handicap labeling, we say G is a d-handicap graph. A d-handicap incomplete tournament, H(n,k,d ) is an incomplete tournament of n teams ranked with the first n natural numbers such that each team plays exactly k games and the strength of schedule of the ith ranked team is d more than the i + 1st ranked team. That is, strength of schedule increases arithmetically with strength of team. Constructing an H(n,k,d) is equivalent to finding a d-handicap labeling of a k-regular graph of order n.. In Chapter 2 we provide general constructions for every d for large classes of both n and k, providing breadfth and depth to the catalog of known H(n,k,d)'s. In Chapters 3 - 6, we introduce a new type of labeling called orientable Gamma-distance magic labeling. Let Gamma be an abelian group of order n. If for a graph G = (V,E) of order n there exists an orientation of the edges of G and a companion bijection from V to Gamma with the property that there is an element mu of Gamma (called the magic constant) such that [special characters omitted] where w(x) is the weight of vertex x, we say that G is orientable Gamma -distance magic. In addition to introducing the concept, we provide numerous results on orientable Zn-distance magic graphs, where Zn is the cyclic group of order n.. In Chapter 7, we summarize the results of this dissertation and provide suggestions for future work.

The Application of a Statistical Analysis Software Package to Explosive Testing

DTIC Science & Technology

1993-12-01

deviation not corrected for test interval. M refer to equation 2. s refer to equation 3. G refer to section 2.1, C 36 Appendix I : Program Structured ...APPENDIX I: Program Structured Diagrams 37 APPENDIX II: Bruceton Reference Graphs 39 APPENDIX III: Input and Output Data File Format 44 APPENDIX IV...directly from Graph II, which has been digitised and incorporated into the program . IfM falls below 0.3, the curve that is closest to diff( eq . 3a) is

Application of Theodorsen's Theory to Propeller Design

NASA Technical Reports Server (NTRS)

Crigler, John L

1948-01-01

A theoretical analysis is presented for obtaining by use of Theodorsen's propeller theory the load distribution along a propeller radius to give the optimum propeller efficiency for any design condition.The efficiencies realized by designing for the optimum load distribution are given in graphs, and the optimum efficiency for any design condition may be read directly from the graph without any laborious calculations. Examples are included to illustrate the method of obtaining the optimum load distributions for both single-rotating and dual-rotating propellers.

Application of Theodorsen's theory to propeller design

NASA Technical Reports Server (NTRS)

Crigler, John L

1949-01-01

A theoretical analysis is presented for obtaining, by use of Theodorsen's propeller theory, the load distribution along a propeller radius to give the optimum propeller efficiency for any design condition. The efficiencies realized by designing for the optimum load distribution are given in graphs, and the optimum efficiency for any design condition may be read directly from the graph without any laborious calculations. Examples are included to illustrate the method of obtaining the optimum load distributions for both single-rotating and dual-rotating propellers.

Graph theoretic analysis of structural connectivity across the spectrum of Alzheimer's disease: The importance of graph creation methods

PubMed Central

Phillips, David J.; McGlaughlin, Alec; Ruth, David; Jager, Leah R.; Soldan, Anja

2015-01-01

Graph theory is increasingly being used to study brain connectivity across the spectrum of Alzheimer's disease (AD), but prior findings have been inconsistent, likely reflecting methodological differences. We systematically investigated how methods of graph creation (i.e., type of correlation matrix and edge weighting) affect structural network properties and group differences. We estimated the structural connectivity of brain networks based on correlation maps of cortical thickness obtained from MRI. Four groups were compared: 126 cognitively normal older adults, 103 individuals with Mild Cognitive Impairment (MCI) who retained MCI status for at least 3 years (stable MCI), 108 individuals with MCI who progressed to AD-dementia within 3 years (progressive MCI), and 105 individuals with AD-dementia. Small-world measures of connectivity (characteristic path length and clustering coefficient) differed across groups, consistent with prior studies. Groups were best discriminated by the Randić index, which measures the degree to which highly connected nodes connect to other highly connected nodes. The Randić index differentiated the stable and progressive MCI groups, suggesting that it might be useful for tracking and predicting the progression of AD. Notably, however, the magnitude and direction of group differences in all three measures were dependent on the method of graph creation, indicating that it is crucial to take into account how graphs are constructed when interpreting differences across diagnostic groups and studies. The algebraic connectivity measures showed few group differences, independent of the method of graph construction, suggesting that global connectivity as it relates to node degree is not altered in early AD. PMID:25984446

Predicting and Detecting Emerging Cyberattack Patterns Using StreamWorks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chin, George; Choudhury, Sutanay; Feo, John T.

2014-06-30

The number and sophistication of cyberattacks on industries and governments have dramatically grown in recent years. To counter this movement, new advanced tools and techniques are needed to detect cyberattacks in their early stages such that defensive actions may be taken to avert or mitigate potential damage. From a cybersecurity analysis perspective, detecting cyberattacks may be cast as a problem of identifying patterns in computer network traffic. Logically and intuitively, these patterns may take on the form of a directed graph that conveys how an attack or intrusion propagates through the computers of a network. Such cyberattack graphs could providemore » cybersecurity analysts with powerful conceptual representations that are natural to express and analyze. We have been researching and developing graph-centric approaches and algorithms for dynamic cyberattack detection. The advanced dynamic graph algorithms we are developing will be packaged into a streaming network analysis framework known as StreamWorks. With StreamWorks, a scientist or analyst may detect and identify precursor events and patterns as they emerge in complex networks. This analysis framework is intended to be used in a dynamic environment where network data is streamed in and is appended to a large-scale dynamic graph. Specific graphical query patterns are decomposed and collected into a graph query library. The individual decomposed subpatterns in the library are continuously and efficiently matched against the dynamic graph as it evolves to identify and detect early, partial subgraph patterns. The scalable emerging subgraph pattern algorithms will match on both structural and semantic network properties.« less

Irregular sesquiterpenoids from Ligusticum grayi roots

USDA-ARS?s Scientific Manuscript database

Root oil of Ligusticum grayi (Apiaceae) contains numerous irregular sesquiterpenoids. In addition to the known acyclic sesquilavandulol and a new sesquilavandulyl aldehyde, two thapsanes, one epithapsane, and fourteen sesquiterpenoids representing eight novel carbon skeletons were found. The new sk...

Earth-atmosphere system and surface reflectivities in arid regions from Landsat MSS data

NASA Technical Reports Server (NTRS)

Otterman, J.; Fraser, R. S.

1976-01-01

Previously developed programs for computing atmospheric transmission and scattering of the solar radiation are used to compute the ratios of the earth-atmosphere system (space) directional reflectivities in the nadir direction to the surface Lambertian reflectivity, for the four bands of the Landsat multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa, and Central America from the spectral radiance levels measured by the Landsat MSS. From these space reflectivities, surface reflectivities are computed applying the pertinent graphs. These surface reflectivities are used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory and in situ measurements.

Detailed analysis of petroleum hydrocarbon attenuation in biopiles by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography.

PubMed

Mao, Debin; Lookman, Richard; Van De Weghe, Hendrik; Van Look, Dirk; Vanermen, Guido; De Brucker, Nicole; Diels, Ludo

2009-02-27

Enhanced bioremediation of petroleum hydrocarbons in two biopiles was quantified by high-performance liquid chromatography (HPLC) followed by comprehensive two-dimensional gas chromatography (GCXGC). The attenuation of 34 defined hydrocarbon classes was calculated by HPLC-GCXGC analysis of representative biopile samples at start-up and after 18 weeks of biopile operation. In general, a-cyclic alkanes were most efficiently removed from the biopiles, followed by monoaromatic hydrocarbons. Cycloalkanes and polycyclic aromatic hydrocarbons (PAHs) were more resistant to degradation. A-cyclic biomarkers farnesane, trimethyl-C13, norpristane, pristane and phytane dropped to only about 10% of their initial concentrations. On the other hand, C29-C31 hopane concentrations remained almost unaltered after 18 weeks of biopile operation, confirming their resistance to biodegradation. They are thus reliable indicators to estimate attenuation potential of petroleum hydrocarbons in biopile processed soils.

A kinetic study on the chemical cleavage of nucleoside diphosphate sugars.

PubMed

Huhta, Eija; Parjanen, Atte; Mikkola, Satu

2010-03-30

Nucleoside diphosphate sugars serve in essential roles in metabolic processes. They have, therefore, been used in mechanistic studies on glycosylation reactions, and their analogues have been synthesised as enzyme and receptor inhibitors. Despite extensive biochemical research, little is known about their chemical reactions. In the present work the chemical cleavage of two different types of nucleoside diphosphate sugars has been studied. UDP-Glc is phosphorylated at the anomeric carbon, whereas in ADP-Rib C-1 is unsubstituted, allowing hence the equilibrium between cyclic hemiacetal and acyclic carbonyl forms. Due to the structural difference, these substrates react via different pathways under slightly alkaline conditions: while UDP-Glc reacts exclusively by a nucleophilic attack of a glucose hydroxyl group on the diphosphate moiety, ADP-Rib undergoes a complex reaction sequence that involves isomerisation processes of the acyclic ribose sugar and results in a release of ADP. Copyright 2009 Elsevier Ltd. All rights reserved.

The hydrolysis of geminal ethers: a kinetic appraisal of orthoesters and ketals

PubMed Central

Repetto, Sonia L; Butts, Craig P; Lam, Joseph K W; Ratcliffe, Norman M

2016-01-01

Summary A novel approach to protecting jet fuel against the effects of water contamination is predicated upon the coupling of the rapid hydrolysis reactions of lipophilic cyclic geminal ethers, with the concomitant production of a hydrophilic acyclic hydroxyester with de-icing properties (Fuel Dehydrating Icing Inhibitors - FDII). To this end, a kinetic appraisal of the hydrolysis reactions of representative geminal ethers was undertaken using a convenient surrogate for the fuel–water interface (D2O/CD3CN 1:4). We present here a library of acyclic and five/six-membered cyclic geminal ethers arranged according to their hydroxonium catalytic coefficients for hydrolysis, providing for the first time a framework for the development of FDII. A combination of 1H NMR, labelling and computational studies was used to assess the effects that may govern the observed relative rates of hydrolyses. PMID:27559399

On the strong difference in reactivity of acyclic and cyclic diazodiketones with thioketones: experimental results and quantum-chemical interpretation

PubMed Central

Mereshchenko, Andrey S; Ivanov, Alexey V; Baranovskii, Viktor I; Rodina, Ludmila L

2015-01-01

Summary The 1,3-dipolar cycloaddition of acyclic 2-diazo-1,3-dicarbonyl compounds (DDC) and thioketones preferably occurs with Z,E-conformers and leads to the formation of transient thiocarbonyl ylides in two stages. The thermodynamically favorable further transformation of C=S ylides bearing at least one acyl group is identified as the 1,5-electrocyclization into 1,3-oxathioles. However, in the case of diazomalonates, the dominating process is 1,3-cyclization into thiiranes followed by their spontaneous desulfurization yielding the corresponding alkenes. Finally, carbocyclic diazodiketones are much less reactive under similar conditions due to the locked cyclic structure and are unfavorable for the 1,3-dipolar cycloaddition due to the Z,Z-conformation of the diazo molecule. This structure results in high, positive values of the Gibbs free energy change for the first stage of the cycloaddition process. PMID:25977725

Identification and geochemical significance of cyclic di-and trisulphides with linear and acyclic isoprenoid carbon skeletons in immature sediments

NASA Astrophysics Data System (ADS)

Kohnen, Math E. L.; Sinninghe Damsté, Jaap S.; ten Haven, H. L.; Van Dalen, A. C. Kock; Schouten, Stefan; De Leeuw, Jan W.

1991-12-01

Homologous series (C 15-C 24) of novel 3- n-alkyl-1,2-dithianes and 3- n-alkyl-6-methyl-1,2-di-thianes have been identified in immature sediments. The identification of these compounds was based on comparison of mass spectra and Chromatographie data with those of synthesized 3-methyl-6-tridecyll, 2-dithiane. In addition, 4-methyl-3-(3,7,11-trimethyldodecyl)-1,2-dithiane, 4-(4,8,12-trimethyltridecyl)-1,2-dithiane, 5-methyl-4-(3,7,11-trimethyldodecyl)-1,2,3-trithiepane, and a 1,2-dithiane possessing a pentakishomohopane carbon skeleton were tentatively assigned on the basis of mass spectral characteristics, selective chemolysis, and desulphurisation. The occurrence of these cyclic di-and trisulphides with linear, acyclic isoprenoid and hopanoid carbon skeletons in thermally immature sediments indicates that inorganic polysulphides are incorporated into functionalised lipids during the early stages of diagenesis.

Acyclic Immucillin Phosphonates. Second-Generation Inhibitors of Plasmodium falciparum Hypoxanthine- Guanine-Xanthine Phosphoribosyltransferase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hazelton, Keith Z.; Ho, Meng-Chaio; Cassera, Maria B.

We found that Plasmodium falciparum is the primary cause of deaths from malaria. It is a purine auxotroph and relies on hypoxanthine salvage from the host purine pool. Purine starvation as an antimalarial target has been validated by inhibition of purine nucleoside phosphorylase. Hypoxanthine depletion kills Plasmodium falciparum in cell culture and in Aotus monkey infections. Hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) from P. falciparum is required for hypoxanthine salvage by forming inosine 5'-monophosphate, a branchpoint for all purine nucleotide synthesis in the parasite. We present a class of HGXPRT inhibitors, the acyclic immucillin phosphonates (AIPs), and cell permeable AIP prodrugs. The AIPsmore » are simple, potent, selective, and biologically stable inhibitors. The AIP prodrugs block proliferation of cultured parasites by inhibiting the incorporation of hypoxanthine into the parasite nucleotide pool and validates HGXPRT as a target in malaria.« less

A new family of cystine knot peptides from the seeds of Momordica cochinchinensis.

PubMed

Chan, Lai Yue; He, Wenjun; Tan, Ninghua; Zeng, Guangzhi; Craik, David J; Daly, Norelle L

2013-01-01

Momordica cochinchinensis, a Cucurbitaceae plant commonly found in Southeast Asia, has the unusual property of containing both acyclic and backbone-cyclized trypsin inhibitors with inhibitor cystine knot (ICK) motifs. In the current study we have shown that M. cochinchinensis also contains another family of acyclic ICK peptides. We recently reported two novel peptides from M. cochinchinensis but have now discovered four additional peptides (MCo-3-MCo-6) with related sequences. Together these peptides form a novel family of M. cochinchinensis ICK peptides (MCo-ICK) that do not have sequence homology with other known peptides and are not potent trypsin inhibitors. Otherwise these new peptides MCo-3 to MCo-6 were evaluated for antimalarial activity against Plasmodium falciparum, and cytotoxic activity against the cancer cell line MDA-MB-231. But these peptides were not active. Copyright © 2012 Elsevier Inc. All rights reserved.

Determination of trace elements in metals and alloys by atomic-absorption spectroscopy using an induction-heated graphite well furnace as atom source.

PubMed

Headridge, J B; Smith, D R

1972-07-01

An induction-heated graphite furnace, coupled to a Unicam SP 90 atomic-absorption spectrometer, is described for the direct determination of trace elements in metals and alloys. The furnace is capable of operation at temperatures up to 2400 degrees , and has been used to obtain calibration graphs for the determination of ppm quantities of bismuth in lead-base alloys, cast irons and stainless steels, and for the determination of cadmium at the ppm level in zinc-base alloys. Milligram samples of the alloys were atomized directly. Calibration graphs for the determination of the elements in solutions were obtained for comparison. The accuracy and precision of the determination are presented and discussed.

Cliques of Neurons Bound into Cavities Provide a Missing Link between Structure and Function.

PubMed

Reimann, Michael W; Nolte, Max; Scolamiero, Martina; Turner, Katharine; Perin, Rodrigo; Chindemi, Giuseppe; Dłotko, Paweł; Levi, Ran; Hess, Kathryn; Markram, Henry

2017-01-01

The lack of a formal link between neural network structure and its emergent function has hampered our understanding of how the brain processes information. We have now come closer to describing such a link by taking the direction of synaptic transmission into account, constructing graphs of a network that reflect the direction of information flow, and analyzing these directed graphs using algebraic topology. Applying this approach to a local network of neurons in the neocortex revealed a remarkably intricate and previously unseen topology of synaptic connectivity. The synaptic network contains an abundance of cliques of neurons bound into cavities that guide the emergence of correlated activity. In response to stimuli, correlated activity binds synaptically connected neurons into functional cliques and cavities that evolve in a stereotypical sequence toward peak complexity. We propose that the brain processes stimuli by forming increasingly complex functional cliques and cavities.

Underground localization using dual magnetic field sequence measurement and pose graph SLAM for directional drilling

NASA Astrophysics Data System (ADS)

Park, Byeolteo; Myung, Hyun

2014-12-01

With the development of unconventional gas, the technology of directional drilling has become more advanced. Underground localization is the key technique of directional drilling for real-time path following and system control. However, there are problems such as vibration, disconnection with external infrastructure, and magnetic field distortion. Conventional methods cannot solve these problems in real time or in various environments. In this paper, a novel underground localization algorithm using a re-measurement of the sequence of the magnetic field and pose graph SLAM (simultaneous localization and mapping) is introduced. The proposed algorithm exploits the property of the drilling system that the body passes through the previous pass. By comparing the recorded measurement from one magnetic sensor and the current re-measurement from another magnetic sensor, the proposed algorithm predicts the pose of the drilling system. The performance of the algorithm is validated through simulations and experiments.

Application Examples for Handle System Usage

NASA Astrophysics Data System (ADS)

Toussaint, F.; Weigel, T.; Thiemann, H.; Höck, H.; Stockhause, M.; Lautenschlager, M.

2012-12-01

Besides the well-known DOI (Digital Object Identifiers) as a special form of Handles that resolve to scientific publications there are various other applications in use. Others perhaps are just not yet. We present some examples for the existing ones and some ideas for the future. The national German project C3-Grid provides a framework to implement a first solution for provenance tracing and explore unforeseen implications. Though project-specific, the high-level architecture is generic and represents well a common notion of data derivation. Users select one or many input datasets and a workflow software module (an agent in this context) to execute on the data. The output data is deposited in a repository to be delivered to the user. All data is accompanied by an XML metadata document. All input and output data, metadata and the workflow module receive Handles and are linked together to establish a directed acyclic graph of derived data objects and involved agents. Data that has been modified by a workflow module is linked to its predecessor data and the workflow module involved. Version control systems such as svn or git provide Internet access to software repositories using URLs. To refer to a specific state of the source code of for instance a C3 workflow module, it is sufficient to reference the URL to the svn revision or git hash. In consequence, individual revisions and the repository as a whole receive PIDs. Moreover, the revision specific PIDs are linked to their respective predecessors and become part of the provenance graph. Another example for usage of PIDs in a current major project is given in EUDAT (European Data Infrastructure) which will link scientific data of several research communities together. In many fields it is necessary to provide data objects at multiple locations for a variety of applications. To ensure consistency, not only the master of a data object but also its copies shall be provided with a PID. To verify transaction safety and to keep all copies consistent requires that the chain from master to copy and vice versa has to be resolvable, preferably through PIDs directly. As part of EUDAT necessary services are created on the basis of iRODS. These form the core structure of the data infrastructure developed within EUDAT. Though many implementations of PID systems already exist, many valuable web accessible data sources come with unresolvable identifiers like UUIDs, with instable recognition patterns like URLs, or even with proprietary implementations. However, other data collections would like to link to them in the data descriptions of their metadata. In addition, by usage of PIDs one can decouple the responsibilities for data and MD in projects where necessary. For some metadata entities like persons or even institutes it makes sense to give them single PIDs that point to contact and/or location information. ORCID (Open Researcher & Contributor ID), e.g., keeps track of persons working in scholarly fields, independent of name changes and linguistic variances. The ISO 27729 based International Standard Name Identifier (ISNI) also identifies legal entities and fictional characters besides natural persons. Other systems exist that, e.g., reference geographic localities. IDs of this kind may resolve to a URL where detailed information is given.

MadDM: Computation of dark matter relic abundance

NASA Astrophysics Data System (ADS)

Backović, Mihailo; Kong, Kyoungchul; McCaskey, Mathew

2017-12-01

MadDM computes dark matter relic abundance and dark matter nucleus scattering rates in a generic model. The code is based on the existing MadGraph 5 architecture and as such is easily integrable into any MadGraph collider study. A simple Python interface offers a level of user-friendliness characteristic of MadGraph 5 without sacrificing functionality. MadDM is able to calculate the dark matter relic abundance in models which include a multi-component dark sector, resonance annihilation channels and co-annihilations. The direct detection module of MadDM calculates spin independent / spin dependent dark matter-nucleon cross sections and differential recoil rates as a function of recoil energy, angle and time. The code provides a simplified simulation of detector effects for a wide range of target materials and volumes.

Focus-based filtering + clustering technique for power-law networks with small world phenomenon

NASA Astrophysics Data System (ADS)

Boutin, François; Thièvre, Jérôme; Hascoët, Mountaz

2006-01-01

Realistic interaction networks usually present two main properties: a power-law degree distribution and a small world behavior. Few nodes are linked to many nodes and adjacent nodes are likely to share common neighbors. Moreover, graph structure usually presents a dense core that is difficult to explore with classical filtering and clustering techniques. In this paper, we propose a new filtering technique accounting for a user-focus. This technique extracts a tree-like graph with also power-law degree distribution and small world behavior. Resulting structure is easily drawn with classical force-directed drawing algorithms. It is also quickly clustered and displayed into a multi-level silhouette tree (MuSi-Tree) from any user-focus. We built a new graph filtering + clustering + drawing API and report a case study.

Dynamic extension of the Simulation Problem Analysis Kernel (SPANK)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sowell, E.F.; Buhl, W.F.

1988-07-15

The Simulation Problem Analysis Kernel (SPANK) is an object-oriented simulation environment for general simulation purposes. Among its unique features is use of the directed graph as the primary data structure, rather than the matrix. This allows straightforward use of graph algorithms for matching variables and equations, and reducing the problem graph for efficient numerical solution. The original prototype implementation demonstrated the principles for systems of algebraic equations, allowing simulation of steady-state, nonlinear systems (Sowell 1986). This paper describes how the same principles can be extended to include dynamic objects, allowing simulation of general dynamic systems. The theory is developed andmore » an implementation is described. An example is taken from the field of building energy system simulation. 2 refs., 9 figs.« less

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

PubMed

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.

An integrated QSAR-PBK/D modelling approach for predicting detoxification and DNA adduct formation of 18 acyclic food-borne α,β-unsaturated aldehydes.

PubMed

Kiwamoto, R; Spenkelink, A; Rietjens, I M C M; Punt, A

2015-01-01

Acyclic α,β-unsaturated aldehydes present in food raise a concern because the α,β-unsaturated aldehyde moiety is considered a structural alert for genotoxicity. However, controversy remains on whether in vivo at realistic dietary exposure DNA adduct formation is significant. The aim of the present study was to develop physiologically based kinetic/dynamic (PBK/D) models to examine dose-dependent detoxification and DNA adduct formation of a group of 18 food-borne acyclic α,β-unsaturated aldehydes without 2- or 3-alkylation, and with no more than one conjugated double bond. Parameters for the PBK/D models were obtained using quantitative structure-activity relationships (QSARs) defined with a training set of six selected aldehydes. Using the QSARs, PBK/D models for the other 12 aldehydes were defined. Results revealed that DNA adduct formation in the liver increases with decreasing bulkiness of the molecule especially due to less efficient detoxification. 2-Propenal (acrolein) was identified to induce the highest DNA adduct levels. At realistic dietary intake, the predicted DNA adduct levels for all aldehydes were two orders of magnitude lower than endogenous background levels observed in disease free human liver, suggesting that for all 18 aldehydes DNA adduct formation is negligible at the relevant levels of dietary intake. The present study provides a proof of principle for the use of QSAR-based PBK/D modelling to facilitate group evaluations and read-across in risk assessment. Copyright © 2014 Elsevier Inc. All rights reserved.

Conception et analyse d'un systeme d'optimisation de plans de vol pour les avions

NASA Astrophysics Data System (ADS)

Maazoun, Wissem

The main objective of this thesis is to develop an optimization method for the preparation of flight plans for aircrafts. The flight plan minimizes all costs associated with the flight. We determine an optimal path for an airplane from a departure airport to a destination airport. The optimal path minimizes the sum of all costs, i.e. the cost of fuel added to the cost of time (wages, rental of the aircraft, arrival delays, etc.). The optimal trajectory is obtained by considering all possible trajectories on a 3D graph (longitude, latitude and altitude) where the altitude levels are separated by 2,000 feet, and by applying a shortest path algorithm. The main task was to accurately compute fuel consumption on each edge of the graph, making sure that each arc has a minimal cost and is covered in a realistic way from the point of view of control, i.e. in accordance with the rules of navigation. To compute the cost of an arc, we take into account weather conditions (temperature, pressure, wind components, etc.). The optimization of each arc is done via the evaluation of an optimum speed that takes all costs into account. Each arc of the graph typically includes several sub-phases of the flight, e.g. altitude change, speed change, and constant speed and altitude. In the initial climb and the final descent phases, the costs are determined by considering altitude changes at constant CAS (Calibrated Air Speed) or constant Mach number. CAS and Mach number are adjusted to minimize cost. The aerodynamic model used is the one proposed by Eurocontrol, which uses the BADA (Base of Aircraft Data) tables. This model is based on the total energy equation that determines the instantaneous fuel consumption. Calculations on each arc are done by solving a system of differential equations that systematically takes all costs into account. To compute the cost of an arc, we must know the time to go through it, which is generally unknown. To have well-posed boundary conditions, we use the horizontal displacement as the independent variable of the system of differential equations. We consider the velocity components of the wind in a 3D system of coordinates to compute the instantaneous ground speed of the aircraft. To consider the cost of time, we use the cost index. The cost of an arc depends on the aircraft mass at the beginning of this arc, and this mass depends on the path. As we consider all possible paths, the cost of an arc must be computed for each trajectory to which it belongs. For a long-distance flight, the number of arcs to be considered in the graph is large and therefore the cost of an arc is typically computed many times. Our algorithm computes the costs of one million arcs in seconds while having a high accuracy. The determination of the optimal trajectory can therefore be done in a short time. To get the optimal path, the mass of the aircraft at the departure point must also be optimal. It is therefore necessary to know the optimal amount of fuel for the journey. The aircraft mass is known only at the arrival point. This mass is the mass of the aircraft including passengers, cargo and reserve fuel mass. The optimal path is determined by calculating backwards, i.e. from the arrival point to the departure point. For the determination of the optimal trajectory, we use an elliptical grid that has focal points at the departure and arrival points. The use of this grid is essential for the construction of a direct and acyclic graph. We use the Bellman-Ford algorithm on a DAG to determine the shortest path. This algorithm is easy to implement and results in short computation times. Our algorithm computes an optimal trajectory with an optimal cost for each arc. Altitude changes are done optimally with respect to the mass of the aircraft and the cost of time. Our algorithm gives the mass, speed, altitude and total cost at any point of the trajectory as well as the optimal profiles of climb and descent. A prototype has been implemented in C. We made simulations of all types of possible arcs and of several complete trajectories to illustrate the behaviour of the algorithm.

Distributed Containment Control for Multiple Unknown Second-Order Nonlinear Systems With Application to Networked Lagrangian Systems.

PubMed

Mei, Jie; Ren, Wei; Li, Bing; Ma, Guangfu

2015-09-01

In this paper, we consider the distributed containment control problem for multiagent systems with unknown nonlinear dynamics. More specifically, we focus on multiple second-order nonlinear systems and networked Lagrangian systems. We first study the distributed containment control problem for multiple second-order nonlinear systems with multiple dynamic leaders in the presence of unknown nonlinearities and external disturbances under a general directed graph that characterizes the interaction among the leaders and the followers. A distributed adaptive control algorithm with an adaptive gain design based on the approximation capability of neural networks is proposed. We present a necessary and sufficient condition on the directed graph such that the containment error can be reduced as small as desired. As a byproduct, the leaderless consensus problem is solved with asymptotical convergence. Because relative velocity measurements between neighbors are generally more difficult to obtain than relative position measurements, we then propose a distributed containment control algorithm without using neighbors' velocity information. A two-step Lyapunov-based method is used to study the convergence of the closed-loop system. Next, we apply the ideas to deal with the containment control problem for networked unknown Lagrangian systems under a general directed graph. All the proposed algorithms are distributed and can be implemented using only local measurements in the absence of communication. Finally, simulation examples are provided to show the effectiveness of the proposed control algorithms.

Dynamical graph theory networks techniques for the analysis of sparse connectivity networks in dementia

NASA Astrophysics Data System (ADS)

Tahmassebi, Amirhessam; Pinker-Domenig, Katja; Wengert, Georg; Lobbes, Marc; Stadlbauer, Andreas; Romero, Francisco J.; Morales, Diego P.; Castillo, Encarnacion; Garcia, Antonio; Botella, Guillermo; Meyer-Bäse, Anke

2017-05-01

Graph network models in dementia have become an important computational technique in neuroscience to study fundamental organizational principles of brain structure and function of neurodegenerative diseases such as dementia. The graph connectivity is reflected in the connectome, the complete set of structural and functional connections of the graph network, which is mostly based on simple Pearson correlation links. In contrast to simple Pearson correlation networks, the partial correlations (PC) only identify direct correlations while indirect associations are eliminated. In addition to this, the state-of-the-art techniques in brain research are based on static graph theory, which is unable to capture the dynamic behavior of the brain connectivity, as it alters with disease evolution. We propose a new research avenue in neuroimaging connectomics based on combining dynamic graph network theory and modeling strategies at different time scales. We present the theoretical framework for area aggregation and time-scale modeling in brain networks as they pertain to disease evolution in dementia. This novel paradigm is extremely powerful, since we can derive both static parameters pertaining to node and area parameters, as well as dynamic parameters, such as system's eigenvalues. By implementing and analyzing dynamically both disease driven PC-networks and regular concentration networks, we reveal differences in the structure of these network that play an important role in the temporal evolution of this disease. The described research is key to advance biomedical research on novel disease prediction trajectories and dementia therapies.

A graph-based evolutionary algorithm: Genetic Network Programming (GNP) and its extension using reinforcement learning.

PubMed

Mabu, Shingo; Hirasawa, Kotaro; Hu, Jinglu

2007-01-01

This paper proposes a graph-based evolutionary algorithm called Genetic Network Programming (GNP). Our goal is to develop GNP, which can deal with dynamic environments efficiently and effectively, based on the distinguished expression ability of the graph (network) structure. The characteristics of GNP are as follows. 1) GNP programs are composed of a number of nodes which execute simple judgment/processing, and these nodes are connected by directed links to each other. 2) The graph structure enables GNP to re-use nodes, thus the structure can be very compact. 3) The node transition of GNP is executed according to its node connections without any terminal nodes, thus the past history of the node transition affects the current node to be used and this characteristic works as an implicit memory function. These structural characteristics are useful for dealing with dynamic environments. Furthermore, we propose an extended algorithm, "GNP with Reinforcement Learning (GNPRL)" which combines evolution and reinforcement learning in order to create effective graph structures and obtain better results in dynamic environments. In this paper, we applied GNP to the problem of determining agents' behavior to evaluate its effectiveness. Tileworld was used as the simulation environment. The results show some advantages for GNP over conventional methods.

Resource utilization model for the algorithm to architecture mapping model

NASA Technical Reports Server (NTRS)

Stoughton, John W.; Patel, Rakesh R.

1993-01-01

The analytical model for resource utilization and the variable node time and conditional node model for the enhanced ATAMM model for a real-time data flow architecture are presented in this research. The Algorithm To Architecture Mapping Model, ATAMM, is a Petri net based graph theoretic model developed at Old Dominion University, and is capable of modeling the execution of large-grained algorithms on a real-time data flow architecture. Using the resource utilization model, the resource envelope may be obtained directly from a given graph and, consequently, the maximum number of required resources may be evaluated. The node timing diagram for one iteration period may be obtained using the analytical resource envelope. The variable node time model, which describes the change in resource requirement for the execution of an algorithm under node time variation, is useful to expand the applicability of the ATAMM model to heterogeneous architectures. The model also describes a method of detecting the presence of resource limited mode and its subsequent prevention. Graphs with conditional nodes are shown to be reduced to equivalent graphs with time varying nodes and, subsequently, may be analyzed using the variable node time model to determine resource requirements. Case studies are performed on three graphs for the illustration of applicability of the analytical theories.

Individualized Instruction in Science, Time-Space-Matter, Self-Directed Activities.

ERIC Educational Resources Information Center

Kuczma, R. M.

As a supplement to Learning Activity Packages (LAP) on the time-space-matter subject, details are presented for self-directed activities. Major descriptions are given on the background of LAP characteristics, metric system, profile graph construction, spectroscope operation, radiant energy measurement, sunspot effects, density determination,…

Building dynamic population graph for accurate correspondence detection.

PubMed

Du, Shaoyi; Guo, Yanrong; Sanroma, Gerard; Ni, Dong; Wu, Guorong; Shen, Dinggang

2015-12-01

In medical imaging studies, there is an increasing trend for discovering the intrinsic anatomical difference across individual subjects in a dataset, such as hand images for skeletal bone age estimation. Pair-wise matching is often used to detect correspondences between each individual subject and a pre-selected model image with manually-placed landmarks. However, the large anatomical variability across individual subjects can easily compromise such pair-wise matching step. In this paper, we present a new framework to simultaneously detect correspondences among a population of individual subjects, by propagating all manually-placed landmarks from a small set of model images through a dynamically constructed image graph. Specifically, we first establish graph links between models and individual subjects according to pair-wise shape similarity (called as forward step). Next, we detect correspondences for the individual subjects with direct links to any of model images, which is achieved by a new multi-model correspondence detection approach based on our recently-published sparse point matching method. To correct those inaccurate correspondences, we further apply an error detection mechanism to automatically detect wrong correspondences and then update the image graph accordingly (called as backward step). After that, all subject images with detected correspondences are included into the set of model images, and the above two steps of graph expansion and error correction are repeated until accurate correspondences for all subject images are established. Evaluations on real hand X-ray images demonstrate that our proposed method using a dynamic graph construction approach can achieve much higher accuracy and robustness, when compared with the state-of-the-art pair-wise correspondence detection methods as well as a similar method but using static population graph. Copyright © 2015 Elsevier B.V. All rights reserved.

Classification of user interfaces for graph-based online analytical processing

NASA Astrophysics Data System (ADS)

Michaelis, James R.

2016-05-01

In the domain of business intelligence, user-oriented software for conducting multidimensional analysis via Online- Analytical Processing (OLAP) is now commonplace. In this setting, datasets commonly have well-defined sets of dimensions and measures around which analysis tasks can be conducted. However, many forms of data used in intelligence operations - deriving from social networks, online communications, and text corpora - will consist of graphs with varying forms of potential dimensional structure. Hence, enabling OLAP over such data collections requires explicit definition and extraction of supporting dimensions and measures. Further, as Graph OLAP remains an emerging technique, limited research has been done on its user interface requirements. Namely, on effective pairing of interface designs to different types of graph-derived dimensions and measures. This paper presents a novel technique for pairing of user interface designs to Graph OLAP datasets, rooted in Analytic Hierarchy Process (AHP) driven comparisons. Attributes of the classification strategy are encoded through an AHP ontology, developed in our alternate work and extended to support pairwise comparison of interfaces. Specifically, according to their ability, as perceived by Subject Matter Experts, to support dimensions and measures corresponding to Graph OLAP dataset attributes. To frame this discussion, a survey is provided both on existing variations of Graph OLAP, as well as existing interface designs previously applied in multidimensional analysis settings. Following this, a review of our AHP ontology is provided, along with a listing of corresponding dataset and interface attributes applicable toward SME recommendation structuring. A walkthrough of AHP-based recommendation encoding via the ontology-based approach is then provided. The paper concludes with a short summary of proposed future directions seen as essential for this research area.

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions.

PubMed

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-20

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute molecules and the structure and dynamics of water.

Graph Theory and Ion and Molecular Aggregation in Aqueous Solutions

NASA Astrophysics Data System (ADS)

Choi, Jun-Ho; Lee, Hochan; Choi, Hyung Ran; Cho, Minhaeng

2018-04-01

In molecular and cellular biology, dissolved ions and molecules have decisive effects on chemical and biological reactions, conformational stabilities, and functions of small to large biomolecules. Despite major efforts, the current state of understanding of the effects of specific ions, osmolytes, and bioprotecting sugars on the structure and dynamics of water H-bonding networks and proteins is not yet satisfactory. Recently, to gain deeper insight into this subject, we studied various aggregation processes of ions and molecules in high-concentration salt, osmolyte, and sugar solutions with time-resolved vibrational spectroscopy and molecular dynamics simulation methods. It turns out that ions (or solute molecules) have a strong propensity to self-assemble into large and polydisperse aggregates that affect both local and long-range water H-bonding structures. In particular, we have shown that graph-theoretical approaches can be used to elucidate morphological characteristics of large aggregates in various aqueous salt, osmolyte, and sugar solutions. When ion and molecular aggregates in such aqueous solutions are treated as graphs, a variety of graph-theoretical properties, such as graph spectrum, degree distribution, clustering coefficient, minimum path length, and graph entropy, can be directly calculated by considering an ensemble of configurations taken from molecular dynamics trajectories. Here we show percolating behavior exhibited by ion and molecular aggregates upon increase in solute concentration in high solute concentrations and discuss compelling evidence of the isomorphic relation between percolation transitions of ion and molecular aggregates and water H-bonding networks. We anticipate that the combination of graph theory and molecular dynamics simulation methods will be of exceptional use in achieving a deeper understanding of the fundamental physical chemistry of dissolution and in describing the interplay between the self-aggregation of solute molecules and the structure and dynamics of water.

Resolution of ranking hierarchies in directed networks.

PubMed

Letizia, Elisa; Barucca, Paolo; Lillo, Fabrizio

2018-01-01

Identifying hierarchies and rankings of nodes in directed graphs is fundamental in many applications such as social network analysis, biology, economics, and finance. A recently proposed method identifies the hierarchy by finding the ordered partition of nodes which minimises a score function, termed agony. This function penalises the links violating the hierarchy in a way depending on the strength of the violation. To investigate the resolution of ranking hierarchies we introduce an ensemble of random graphs, the Ranked Stochastic Block Model. We find that agony may fail to identify hierarchies when the structure is not strong enough and the size of the classes is small with respect to the whole network. We analytically characterise the resolution threshold and we show that an iterated version of agony can partly overcome this resolution limit.

Resolution of ranking hierarchies in directed networks

PubMed Central

Barucca, Paolo; Lillo, Fabrizio

2018-01-01

Identifying hierarchies and rankings of nodes in directed graphs is fundamental in many applications such as social network analysis, biology, economics, and finance. A recently proposed method identifies the hierarchy by finding the ordered partition of nodes which minimises a score function, termed agony. This function penalises the links violating the hierarchy in a way depending on the strength of the violation. To investigate the resolution of ranking hierarchies we introduce an ensemble of random graphs, the Ranked Stochastic Block Model. We find that agony may fail to identify hierarchies when the structure is not strong enough and the size of the classes is small with respect to the whole network. We analytically characterise the resolution threshold and we show that an iterated version of agony can partly overcome this resolution limit. PMID:29394278

Electric field theory based approach to search-direction line definition in image segmentation: application to optimal femur-tibia cartilage segmentation in knee-joint 3-D MR

NASA Astrophysics Data System (ADS)

Yin, Y.; Sonka, M.

2010-03-01

A novel method is presented for definition of search lines in a variety of surface segmentation approaches. The method is inspired by properties of electric field direction lines and is applicable to general-purpose n-D shapebased image segmentation tasks. Its utility is demonstrated in graph construction and optimal segmentation of multiple mutually interacting objects. The properties of the electric field-based graph construction guarantee that inter-object graph connecting lines are non-intersecting and inherently covering the entire object-interaction space. When applied to inter-object cross-surface mapping, our approach generates one-to-one and all-to-all vertex correspondent pairs between the regions of mutual interaction. We demonstrate the benefits of the electric field approach in several examples ranging from relatively simple single-surface segmentation to complex multiobject multi-surface segmentation of femur-tibia cartilage. The performance of our approach is demonstrated in 60 MR images from the Osteoarthritis Initiative (OAI), in which our approach achieved a very good performance as judged by surface positioning errors (average of 0.29 and 0.59 mm for signed and unsigned cartilage positioning errors, respectively).

Paving the Way Towards Reactive Planar Spanner Construction in Wireless Networks

NASA Astrophysics Data System (ADS)

Frey, Hannes; Rührup, Stefan

A spanner is a subgraph of a given graph that supports the original graph's shortest path lengths up to a constant factor. Planar spanners and their distributed construction are of particular interest for geographic routing, which is an efficient localized routing scheme for wireless ad hoc and sensor networks. Planarity of the network graph is a key criterion for guaranteed delivery, while the spanner property supports efficiency in terms of path length. We consider the problem of reactive local spanner construction, where a node's local topology is determined on demand. Known message-efficient reactive planarization algorithms do not preserve the spanner property, while reactive spanner constructions with a low message overhead have not been described so far. We introduce the concept of direct planarization which may be an enabler of efficient reactive spanner construction. Given an edge, nodes check for all incident intersecting edges a certain geometric criterion and withdraw the edge if this criterion is not satisfied. We use this concept to derive a generic reactive topology control mechanism and consider two geometric criteria. Simulation results show that direct planarization increases the performance of localized geographic routing by providing shorter paths than existing reactive approaches.

MO-FG-CAMPUS-TeP2-01: A Graph Form ADMM Algorithm for Constrained Quadratic Radiation Treatment Planning

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, X; Belcher, AH; Wiersma, R

Purpose: In radiation therapy optimization the constraints can be either hard constraints which must be satisfied or soft constraints which are included but do not need to be satisfied exactly. Currently the voxel dose constraints are viewed as soft constraints and included as a part of the objective function and approximated as an unconstrained problem. However in some treatment planning cases the constraints should be specified as hard constraints and solved by constrained optimization. The goal of this work is to present a computation efficiency graph form alternating direction method of multipliers (ADMM) algorithm for constrained quadratic treatment planning optimizationmore » and compare it with several commonly used algorithms/toolbox. Method: ADMM can be viewed as an attempt to blend the benefits of dual decomposition and augmented Lagrangian methods for constrained optimization. Various proximal operators were first constructed as applicable to quadratic IMRT constrained optimization and the problem was formulated in a graph form of ADMM. A pre-iteration operation for the projection of a point to a graph was also proposed to further accelerate the computation. Result: The graph form ADMM algorithm was tested by the Common Optimization for Radiation Therapy (CORT) dataset including TG119, prostate, liver, and head & neck cases. Both unconstrained and constrained optimization problems were formulated for comparison purposes. All optimizations were solved by LBFGS, IPOPT, Matlab built-in toolbox, CVX (implementing SeDuMi) and Mosek solvers. For unconstrained optimization, it was found that LBFGS performs the best, and it was 3–5 times faster than graph form ADMM. However, for constrained optimization, graph form ADMM was 8 – 100 times faster than the other solvers. Conclusion: A graph form ADMM can be applied to constrained quadratic IMRT optimization. It is more computationally efficient than several other commercial and noncommercial optimizers and it also used significantly less computer memory.« less

Man-Made Object Extraction from Remote Sensing Imagery by Graph-Based Manifold Ranking

NASA Astrophysics Data System (ADS)

He, Y.; Wang, X.; Hu, X. Y.; Liu, S. H.

2018-04-01

The automatic extraction of man-made objects from remote sensing imagery is useful in many applications. This paper proposes an algorithm for extracting man-made objects automatically by integrating a graph model with the manifold ranking algorithm. Initially, we estimate a priori value of the man-made objects with the use of symmetric and contrast features. The graph model is established to represent the spatial relationships among pre-segmented superpixels, which are used as the graph nodes. Multiple characteristics, namely colour, texture and main direction, are used to compute the weights of the adjacent nodes. Manifold ranking effectively explores the relationships among all the nodes in the feature space as well as initial query assignment; thus, it is applied to generate a ranking map, which indicates the scores of the man-made objects. The man-made objects are then segmented on the basis of the ranking map. Two typical segmentation algorithms are compared with the proposed algorithm. Experimental results show that the proposed algorithm can extract man-made objects with high recognition rate and low omission rate.

Application of graph-based semi-supervised learning for development of cyber COP and network intrusion detection

NASA Astrophysics Data System (ADS)

Levchuk, Georgiy; Colonna-Romano, John; Eslami, Mohammed

2017-05-01

The United States increasingly relies on cyber-physical systems to conduct military and commercial operations. Attacks on these systems have increased dramatically around the globe. The attackers constantly change their methods, making state-of-the-art commercial and military intrusion detection systems ineffective. In this paper, we present a model to identify functional behavior of network devices from netflow traces. Our model includes two innovations. First, we define novel features for a host IP using detection of application graph patterns in IP's host graph constructed from 5-min aggregated packet flows. Second, we present the first application, to the best of our knowledge, of Graph Semi-Supervised Learning (GSSL) to the space of IP behavior classification. Using a cyber-attack dataset collected from NetFlow packet traces, we show that GSSL trained with only 20% of the data achieves higher attack detection rates than Support Vector Machines (SVM) and Naïve Bayes (NB) classifiers trained with 80% of data points. We also show how to improve detection quality by filtering out web browsing data, and conclude with discussion of future research directions.

The Laplacian spectrum of neural networks

PubMed Central

de Lange, Siemon C.; de Reus, Marcel A.; van den Heuvel, Martijn P.

2014-01-01

The brain is a complex network of neural interactions, both at the microscopic and macroscopic level. Graph theory is well suited to examine the global network architecture of these neural networks. Many popular graph metrics, however, encode average properties of individual network elements. Complementing these “conventional” graph metrics, the eigenvalue spectrum of the normalized Laplacian describes a network's structure directly at a systems level, without referring to individual nodes or connections. In this paper, the Laplacian spectra of the macroscopic anatomical neuronal networks of the macaque and cat, and the microscopic network of the Caenorhabditis elegans were examined. Consistent with conventional graph metrics, analysis of the Laplacian spectra revealed an integrative community structure in neural brain networks. Extending previous findings of overlap of network attributes across species, similarity of the Laplacian spectra across the cat, macaque and C. elegans neural networks suggests a certain level of consistency in the overall architecture of the anatomical neural networks of these species. Our results further suggest a specific network class for neural networks, distinct from conceptual small-world and scale-free models as well as several empirical networks. PMID:24454286

Contact tracing for the control of infectious disease epidemics: Chronic Wasting Disease in deer farms.

PubMed

Rorres, Chris; Romano, Maria; Miller, Jennifer A; Mossey, Jana M; Grubesic, Tony H; Zellner, David E; Smith, Gary

2018-06-01

Contact tracing is a crucial component of the control of many infectious diseases, but is an arduous and time consuming process. Procedures that increase the efficiency of contact tracing increase the chance that effective controls can be implemented sooner and thus reduce the magnitude of the epidemic. We illustrate a procedure using Graph Theory in the context of infectious disease epidemics of farmed animals in which the epidemics are driven mainly by the shipment of animals between farms. Specifically, we created a directed graph of the recorded shipments of deer between deer farms in Pennsylvania over a timeframe and asked how the properties of the graph could be exploited to make contact tracing more efficient should Chronic Wasting Disease (a prion disease of deer) be discovered in one of the farms. We show that the presence of a large strongly connected component in the graph has a significant impact on the number of contacts that can arise. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.