Fully Decomposable Split Graphs

NASA Astrophysics Data System (ADS)

Broersma, Hajo; Kratsch, Dieter; Woeginger, Gerhard J.

We discuss various questions around partitioning a split graph into connected parts. Our main result is a polynomial time algorithm that decides whether a given split graph is fully decomposable, i.e., whether it can be partitioned into connected parts of order α 1,α 2,...,α k for every α 1,α 2,...,α k summing up to the order of the graph. In contrast, we show that the decision problem whether a given split graph can be partitioned into connected parts of order α 1,α 2,...,α k for a given partition α 1,α 2,...,α k of the order of the graph, is NP-hard.

A Functional Analytic Approach To Computer-Interactive Mathematics

PubMed Central

2005-01-01

Following a pretest, 11 participants who were naive with regard to various algebraic and trigonometric transformations received an introductory lecture regarding the fundamentals of the rectangular coordinate system. Following the lecture, they took part in a computer-interactive matching-to-sample procedure in which they received training on particular formula-to-formula and formula-to-graph relations as these formulas pertain to reflections and vertical and horizontal shifts. In training A-B, standard formulas served as samples and factored formulas served as comparisons. In training B-C, factored formulas served as samples and graphs served as comparisons. Subsequently, the program assessed for mutually entailed B-A and C-B relations as well as combinatorially entailed C-A and A-C relations. After all participants demonstrated mutual entailment and combinatorial entailment, we employed a test of novel relations to assess 40 different and complex variations of the original training formulas and their respective graphs. Six of 10 participants who completed training demonstrated perfect or near-perfect performance in identifying novel formula-to-graph relations. Three of the 4 participants who made more than three incorrect responses during the assessment of novel relations showed some commonality among their error patterns. Derived transfer of stimulus control using mathematical relations is discussed. PMID:15898471

A functional analytic approach to computer-interactive mathematics.

PubMed

Ninness, Chris; Rumph, Robin; McCuller, Glen; Harrison, Carol; Ford, Angela M; Ninness, Sharon K

2005-01-01

Following a pretest, 11 participants who were naive with regard to various algebraic and trigonometric transformations received an introductory lecture regarding the fundamentals of the rectangular coordinate system. Following the lecture, they took part in a computer-interactive matching-to-sample procedure in which they received training on particular formula-to-formula and formula-to-graph relations as these formulas pertain to reflections and vertical and horizontal shifts. In training A-B, standard formulas served as samples and factored formulas served as comparisons. In training B-C, factored formulas served as samples and graphs served as comparisons. Subsequently, the program assessed for mutually entailed B-A and C-B relations as well as combinatorially entailed C-A and A-C relations. After all participants demonstrated mutual entailment and combinatorial entailment, we employed a test of novel relations to assess 40 different and complex variations of the original training formulas and their respective graphs. Six of 10 participants who completed training demonstrated perfect or near-perfect performance in identifying novel formula-to-graph relations. Three of the 4 participants who made more than three incorrect responses during the assessment of novel relations showed some commonality among their error patterns. Derived transfer of stimulus control using mathematical relations is discussed.

Optimal graph search segmentation using arc-weighted graph for simultaneous surface detection of bladder and prostate.

PubMed

Song, Qi; Wu, Xiaodong; Liu, Yunlong; Smith, Mark; Buatti, John; Sonka, Milan

2009-01-01

We present a novel method for globally optimal surface segmentation of multiple mutually interacting objects, incorporating both edge and shape knowledge in a 3-D graph-theoretic approach. Hard surface interacting constraints are enforced in the interacting regions, preserving the geometric relationship of those partially interacting surfaces. The soft smoothness a priori shape compliance is introduced into the energy functional to provide shape guidance. The globally optimal surfaces can be simultaneously achieved by solving a maximum flow problem based on an arc-weighted graph representation. Representing the segmentation problem in an arc-weighted graph, one can incorporate a wider spectrum of constraints into the formulation, thus increasing segmentation accuracy and robustness in volumetric image data. To the best of our knowledge, our method is the first attempt to introduce the arc-weighted graph representation into the graph-searching approach for simultaneous segmentation of multiple partially interacting objects, which admits a globally optimal solution in a low-order polynomial time. Our new approach was applied to the simultaneous surface detection of bladder and prostate. The result was quite encouraging in spite of the low saliency of the bladder and prostate in CT images.

OLSVis: an animated, interactive visual browser for bio-ontologies

PubMed Central

2012-01-01

Background More than one million terms from biomedical ontologies and controlled vocabularies are available through the Ontology Lookup Service (OLS). Although OLS provides ample possibility for querying and browsing terms, the visualization of parts of the ontology graphs is rather limited and inflexible. Results We created the OLSVis web application, a visualiser for browsing all ontologies available in the OLS database. OLSVis shows customisable subgraphs of the OLS ontologies. Subgraphs are animated via a real-time force-based layout algorithm which is fully interactive: each time the user makes a change, e.g. browsing to a new term, hiding, adding, or dragging terms, the algorithm performs smooth and only essential reorganisations of the graph. This assures an optimal viewing experience, because subsequent screen layouts are not grossly altered, and users can easily navigate through the graph. URL: http://ols.wordvis.com Conclusions The OLSVis web application provides a user-friendly tool to visualise ontologies from the OLS repository. It broadens the possibilities to investigate and select ontology subgraphs through a smooth visualisation method. PMID:22646023

A distributed program composition system

NASA Technical Reports Server (NTRS)

Brown, Robert L.

1989-01-01

A graphical technique for creating distributed computer programs is investigated and a prototype implementation is described which serves as a testbed for the concepts. The type of programs under examination is restricted to those comprising relatively heavyweight parts that intercommunicate by passing messages of typed objects. Such programs are often presented visually as a directed graph with computer program parts as the nodes and communication channels as the edges. This class of programs, called parts-based programs, is not well supported by existing computer systems; much manual work is required to describe the program to the system, establish the communication paths, accommodate the heterogeneity of data types, and to locate the parts of the program on the various systems involved. The work described solves most of these problems by providing an interface for describing parts-based programs in this class in a way that closely models the way programmers think about them: using sketches of diagraphs. Program parts, the computational modes of the larger program system are categorized in libraries and are accessed with browsers. The process of programming has the programmer draw the program graph interactively. Heterogeneity is automatically accommodated by the insertion of type translators where necessary between the parts. Many decisions are necessary in the creation of a comprehensive tool for interactive creation of programs in this class. Possibilities are explored and the issues behind such decisions are presented. An approach to program composition is described, not a carefully implemented programming environment. However, a prototype implementation is described that can demonstrate the ideas presented.

GrouseFlocks: steerable exploration of graph hierarchy space.

PubMed

Archambault, Daniel; Munzner, Tamara; Auber, David

2008-01-01

Several previous systems allow users to interactively explore a large input graph through cuts of a superimposed hierarchy. This hierarchy is often created using clustering algorithms or topological features present in the graph. However, many graphs have domain-specific attributes associated with the nodes and edges, which could be used to create many possible hierarchies providing unique views of the input graph. GrouseFlocks is a system for the exploration of this graph hierarchy space. By allowing users to see several different possible hierarchies on the same graph, the system helps users investigate graph hierarchy space instead of a single fixed hierarchy. GrouseFlocks provides a simple set of operations so that users can create and modify their graph hierarchies based on selections. These selections can be made manually or based on patterns in the attribute data provided with the graph. It provides feedback to the user within seconds, allowing interactive exploration of this space.

Modeling multi-process connectivity in river deltas: extending the single layer network analysis to a coupled multilayer network framework

NASA Astrophysics Data System (ADS)

Tejedor, A.; Longjas, A.; Foufoula-Georgiou, E.

2017-12-01

Previous work [e.g. Tejedor et al., 2016 - GRL] has demonstrated the potential of using graph theory to study key properties of the structure and dynamics of river delta channel networks. Although the distribution of fluxes in river deltas is mostly driven by the connectivity of its channel network a significant part of the fluxes might also arise from connectivity between the channels and islands due to overland flow and seepage. This channel-island-subsurface interaction creates connectivity pathways which facilitate or inhibit transport depending on their degree of coupling. The question we pose here is how to collectively study system connectivity that emerges from the aggregated action of different processes (different in nature, intensity and time scales). Single-layer graphs as those introduced for delta channel networks are inadequate as they lack the ability to represent coupled processes, and neglecting across-process interactions can lead to mis-representation of the overall system dynamics. We present here a framework that generalizes the traditional representation of networks (single-layer graphs) to the so-called multi-layer networks or multiplex. A multi-layer network conceptualizes the overall connectivity arising from different processes as distinct graphs (layers), while allowing at the same time to represent interactions between layers by introducing interlayer links (across process interactions). We illustrate this framework using a study of the joint connectivity that arises from the coupling of the confined flow on the channel network and the overland flow on islands, on a prototype delta. We show the potential of the multi-layer framework to answer quantitatively questions related to the characteristic time scales to steady-state transport in the system as a whole when different levels of channel-island coupling are modulated by different magnitudes of discharge rates.

Bipartite Graphs as Models of Population Structures in Evolutionary Multiplayer Games

PubMed Central

Peña, Jorge; Rochat, Yannick

2012-01-01

By combining evolutionary game theory and graph theory, “games on graphs” study the evolutionary dynamics of frequency-dependent selection in population structures modeled as geographical or social networks. Networks are usually represented by means of unipartite graphs, and social interactions by two-person games such as the famous prisoner’s dilemma. Unipartite graphs have also been used for modeling interactions going beyond pairwise interactions. In this paper, we argue that bipartite graphs are a better alternative to unipartite graphs for describing population structures in evolutionary multiplayer games. To illustrate this point, we make use of bipartite graphs to investigate, by means of computer simulations, the evolution of cooperation under the conventional and the distributed N-person prisoner’s dilemma. We show that several implicit assumptions arising from the standard approach based on unipartite graphs (such as the definition of replacement neighborhoods, the intertwining of individual and group diversity, and the large overlap of interaction neighborhoods) can have a large impact on the resulting evolutionary dynamics. Our work provides a clear example of the importance of construction procedures in games on graphs, of the suitability of bigraphs and hypergraphs for computational modeling, and of the importance of concepts from social network analysis such as centrality, centralization and bipartite clustering for the understanding of dynamical processes occurring on networked population structures. PMID:22970237

Tracking with occlusions via graph cuts.

PubMed

Papadakis, Nicolas; Bugeau, Aurélie

2011-01-01

This work presents a new method for tracking and segmenting along time-interacting objects within an image sequence. One major contribution of the paper is the formalization of the notion of visible and occluded parts. For each object, we aim at tracking these two parts. Assuming that the velocity of each object is driven by a dynamical law, predictions can be used to guide the successive estimations. Separating these predicted areas into good and bad parts with respect to the final segmentation and representing the objects with their visible and occluded parts permit handling partial and complete occlusions. To achieve this tracking, a label is assigned to each object and an energy function representing the multilabel problem is minimized via a graph cuts optimization. This energy contains terms based on image intensities which enable segmenting and regularizing the visible parts of the objects. It also includes terms dedicated to the management of the occluded and disappearing areas, which are defined on the areas of prediction of the objects. The results on several challenging sequences prove the strength of the proposed approach.

Manipulations of Cartesian Graphs: A First Introduction to Analysis.

ERIC Educational Resources Information Center

Lowenthal, Francis; Vandeputte, Christiane

1989-01-01

Introduces an introductory module for analysis. Describes stock of basic functions and their graphs as part one and three methods as part two: transformations of simple graphs, the sum of stock functions, and upper and lower bounds. (YP)

Protein-Protein Interaction Network and Gene Ontology

NASA Astrophysics Data System (ADS)

Choi, Yunkyu; Kim, Seok; Yi, Gwan-Su; Park, Jinah

Evolution of computer technologies makes it possible to access a large amount and various kinds of biological data via internet such as DNA sequences, proteomics data and information discovered about them. It is expected that the combination of various data could help researchers find further knowledge about them. Roles of a visualization system are to invoke human abilities to integrate information and to recognize certain patterns in the data. Thus, when the various kinds of data are examined and analyzed manually, an effective visualization system is an essential part. One instance of these integrated visualizations can be combination of protein-protein interaction (PPI) data and Gene Ontology (GO) which could help enhance the analysis of PPI network. We introduce a simple but comprehensive visualization system that integrates GO and PPI data where GO and PPI graphs are visualized side-by-side and supports quick reference functions between them. Furthermore, the proposed system provides several interactive visualization methods for efficiently analyzing the PPI network and GO directedacyclic- graph such as context-based browsing and common ancestors finding.

Quantum walks of two interacting particles on percolation graphs

NASA Astrophysics Data System (ADS)

Siloi, Ilaria; Benedetti, Claudia; Piccinini, Enrico; Paris, Matteo G. A.; Bordone, Paolo

2017-10-01

We address the dynamics of two indistinguishable interacting particles moving on a dynamical percolation graph, i.e., a graph where the edges are independent random telegraph processes whose values jump between 0 and 1, thus mimicking percolation. The interplay between the particle interaction strength, initial state and the percolation rate determine different dynamical regimes for the walkers. We show that, whenever the walkers are initially localised within the interaction range, fast noise enhances the particle spread compared to the noiseless case.

Applied Graph-Mining Algorithms to Study Biomolecular Interaction Networks

PubMed Central

2014-01-01

Protein-protein interaction (PPI) networks carry vital information on the organization of molecular interactions in cellular systems. The identification of functionally relevant modules in PPI networks is one of the most important applications of biological network analysis. Computational analysis is becoming an indispensable tool to understand large-scale biomolecular interaction networks. Several types of computational methods have been developed and employed for the analysis of PPI networks. Of these computational methods, graph comparison and module detection are the two most commonly used strategies. This review summarizes current literature on graph kernel and graph alignment methods for graph comparison strategies, as well as module detection approaches including seed-and-extend, hierarchical clustering, optimization-based, probabilistic, and frequent subgraph methods. Herein, we provide a comprehensive review of the major algorithms employed under each theme, including our recently published frequent subgraph method, for detecting functional modules commonly shared across multiple cancer PPI networks. PMID:24800226

Tracking Research Data Footprints via Integration with Research Graph

NASA Astrophysics Data System (ADS)

Evans, B. J. K.; Wang, J.; Aryani, A.; Conlon, M.; Wyborn, L. A.; Choudhury, S. A.

2017-12-01

The researcher of today is likely to be part of a team that will use subsets of data from at least one, if not more external repositories, and that same data could be used by multiple researchers for many different purposes. At best, the repositories that host this data will know who is accessing their data, but rarely what they are using it for, resulting in funders of data collecting programs and data repositories that store the data unlikely to know: 1) which research funding contributed to the collection and preservation of a dataset, and 2) which data contributed to high impact research and publications. In days of funding shortages there is a growing need to be able to trace the footprint a data set from the originator that collected the data to the repository that stores the data and ultimately to any derived publications. The Research Data Alliance's Data Description Registry Interoperability Working Group (DDRIWG) has addressed this problem through the development of a distributed graph, called Research Graph that can map each piece of the research interaction puzzle by building aggregated graphs. It can connect datasets on the basis of co-authorship or other collaboration models such as joint funding and grants and can connect research datasets, publications, grants and researcher profiles across research repositories and infrastructures such as DataCite and ORCID. National Computational Infrastructure (NCI) in Australia is one of the early adopters of Research Graph. The graphic view and quantitative analysis helps NCI track the usage of their National reference data collections thus quantifying the role that these NCI-hosted data assets play within the funding-researcher-data-publication-cycle. The graph can unlock the complex interactions of the research projects by tracking the contribution of datasets, the various funding bodies and the downstream data users. RMap Project is a similar initiative which aims to solve complex relationships among scholarly publications and their underlying data, including IEEE publications. It is hoped to combine RMap and Research Graph in the near futures and also to add physical samples to Research Graph.

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…

Chemical Applications of Graph Theory: Part II. Isomer Enumeration.

ERIC Educational Resources Information Center

Hansen, Peter J.; Jurs, Peter C.

1988-01-01

Discusses the use of graph theory to aid in the depiction of organic molecular structures. Gives a historical perspective of graph theory and explains graph theory terminology with organic examples. Lists applications of graph theory to current research projects. (ML)

Gene function prediction with gene interaction networks: a context graph kernel approach.

PubMed

Li, Xin; Chen, Hsinchun; Li, Jiexun; Zhang, Zhu

2010-01-01

Predicting gene functions is a challenge for biologists in the postgenomic era. Interactions among genes and their products compose networks that can be used to infer gene functions. Most previous studies adopt a linkage assumption, i.e., they assume that gene interactions indicate functional similarities between connected genes. In this study, we propose to use a gene's context graph, i.e., the gene interaction network associated with the focal gene, to infer its functions. In a kernel-based machine-learning framework, we design a context graph kernel to capture the information in context graphs. Our experimental study on a testbed of p53-related genes demonstrates the advantage of using indirect gene interactions and shows the empirical superiority of the proposed approach over linkage-assumption-based methods, such as the algorithm to minimize inconsistent connected genes and diffusion kernels.

A critical analysis of computational protein design with sparse residue interaction graphs

PubMed Central

Georgiev, Ivelin S.

2017-01-01

Protein design algorithms enumerate a combinatorial number of candidate structures to compute the Global Minimum Energy Conformation (GMEC). To efficiently find the GMEC, protein design algorithms must methodically reduce the conformational search space. By applying distance and energy cutoffs, the protein system to be designed can thus be represented using a sparse residue interaction graph, where the number of interacting residue pairs is less than all pairs of mutable residues, and the corresponding GMEC is called the sparse GMEC. However, ignoring some pairwise residue interactions can lead to a change in the energy, conformation, or sequence of the sparse GMEC vs. the original or the full GMEC. Despite the widespread use of sparse residue interaction graphs in protein design, the above mentioned effects of their use have not been previously analyzed. To analyze the costs and benefits of designing with sparse residue interaction graphs, we computed the GMECs for 136 different protein design problems both with and without distance and energy cutoffs, and compared their energies, conformations, and sequences. Our analysis shows that the differences between the GMECs depend critically on whether or not the design includes core, boundary, or surface residues. Moreover, neglecting long-range interactions can alter local interactions and introduce large sequence differences, both of which can result in significant structural and functional changes. Designs on proteins with experimentally measured thermostability show it is beneficial to compute both the full and the sparse GMEC accurately and efficiently. To this end, we show that a provable, ensemble-based algorithm can efficiently compute both GMECs by enumerating a small number of conformations, usually fewer than 1000. This provides a novel way to combine sparse residue interaction graphs with provable, ensemble-based algorithms to reap the benefits of sparse residue interaction graphs while avoiding their potential inaccuracies. PMID:28358804

A proximity-based graph clustering method for the identification and application of transcription factor clusters.

PubMed

Spadafore, Maxwell; Najarian, Kayvan; Boyle, Alan P

2017-11-29

Transcription factors (TFs) form a complex regulatory network within the cell that is crucial to cell functioning and human health. While methods to establish where a TF binds to DNA are well established, these methods provide no information describing how TFs interact with one another when they do bind. TFs tend to bind the genome in clusters, and current methods to identify these clusters are either limited in scope, unable to detect relationships beyond motif similarity, or not applied to TF-TF interactions. Here, we present a proximity-based graph clustering approach to identify TF clusters using either ChIP-seq or motif search data. We use TF co-occurrence to construct a filtered, normalized adjacency matrix and use the Markov Clustering Algorithm to partition the graph while maintaining TF-cluster and cluster-cluster interactions. We then apply our graph structure beyond clustering, using it to increase the accuracy of motif-based TFBS searching for an example TF. We show that our method produces small, manageable clusters that encapsulate many known, experimentally validated transcription factor interactions and that our method is capable of capturing interactions that motif similarity methods might miss. Our graph structure is able to significantly increase the accuracy of motif TFBS searching, demonstrating that the TF-TF connections within the graph correlate with biological TF-TF interactions. The interactions identified by our method correspond to biological reality and allow for fast exploration of TF clustering and regulatory dynamics.

VISAGE: Interactive Visual Graph Querying.

PubMed

Pienta, Robert; Navathe, Shamkant; Tamersoy, Acar; Tong, Hanghang; Endert, Alex; Chau, Duen Horng

2016-06-01

Extracting useful patterns from large network datasets has become a fundamental challenge in many domains. We present VISAGE, an interactive visual graph querying approach that empowers users to construct expressive queries, without writing complex code (e.g., finding money laundering rings of bankers and business owners). Our contributions are as follows: (1) we introduce graph autocomplete , an interactive approach that guides users to construct and refine queries, preventing over-specification; (2) VISAGE guides the construction of graph queries using a data-driven approach, enabling users to specify queries with varying levels of specificity, from concrete and detailed (e.g., query by example), to abstract (e.g., with "wildcard" nodes of any types), to purely structural matching; (3) a twelve-participant, within-subject user study demonstrates VISAGE's ease of use and the ability to construct graph queries significantly faster than using a conventional query language; (4) VISAGE works on real graphs with over 468K edges, achieving sub-second response times for common queries.

VISAGE: Interactive Visual Graph Querying

PubMed Central

Pienta, Robert; Navathe, Shamkant; Tamersoy, Acar; Tong, Hanghang; Endert, Alex; Chau, Duen Horng

2017-01-01

Extracting useful patterns from large network datasets has become a fundamental challenge in many domains. We present VISAGE, an interactive visual graph querying approach that empowers users to construct expressive queries, without writing complex code (e.g., finding money laundering rings of bankers and business owners). Our contributions are as follows: (1) we introduce graph autocomplete, an interactive approach that guides users to construct and refine queries, preventing over-specification; (2) VISAGE guides the construction of graph queries using a data-driven approach, enabling users to specify queries with varying levels of specificity, from concrete and detailed (e.g., query by example), to abstract (e.g., with “wildcard” nodes of any types), to purely structural matching; (3) a twelve-participant, within-subject user study demonstrates VISAGE’s ease of use and the ability to construct graph queries significantly faster than using a conventional query language; (4) VISAGE works on real graphs with over 468K edges, achieving sub-second response times for common queries. PMID:28553670

A strand graph semantics for DNA-based computation

PubMed Central

Petersen, Rasmus L.; Lakin, Matthew R.; Phillips, Andrew

2015-01-01

DNA nanotechnology is a promising approach for engineering computation at the nanoscale, with potential applications in biofabrication and intelligent nanomedicine. DNA strand displacement is a general strategy for implementing a broad range of nanoscale computations, including any computation that can be expressed as a chemical reaction network. Modelling and analysis of DNA strand displacement systems is an important part of the design process, prior to experimental realisation. As experimental techniques improve, it is important for modelling languages to keep pace with the complexity of structures that can be realised experimentally. In this paper we present a process calculus for modelling DNA strand displacement computations involving rich secondary structures, including DNA branches and loops. We prove that our calculus is also sufficiently expressive to model previous work on non-branching structures, and propose a mapping from our calculus to a canonical strand graph representation, in which vertices represent DNA strands, ordered sites represent domains, and edges between sites represent bonds between domains. We define interactions between strands by means of strand graph rewriting, and prove the correspondence between the process calculus and strand graph behaviours. Finally, we propose a mapping from strand graphs to an efficient implementation, which we use to perform modelling and simulation of DNA strand displacement systems with rich secondary structure. PMID:27293306

Scale-space measures for graph topology link protein network architecture to function.

PubMed

Hulsman, Marc; Dimitrakopoulos, Christos; de Ridder, Jeroen

2014-06-15

The network architecture of physical protein interactions is an important determinant for the molecular functions that are carried out within each cell. To study this relation, the network architecture can be characterized by graph topological characteristics such as shortest paths and network hubs. These characteristics have an important shortcoming: they do not take into account that interactions occur across different scales. This is important because some cellular functions may involve a single direct protein interaction (small scale), whereas others require more and/or indirect interactions, such as protein complexes (medium scale) and interactions between large modules of proteins (large scale). In this work, we derive generalized scale-aware versions of known graph topological measures based on diffusion kernels. We apply these to characterize the topology of networks across all scales simultaneously, generating a so-called graph topological scale-space. The comprehensive physical interaction network in yeast is used to show that scale-space based measures consistently give superior performance when distinguishing protein functional categories and three major types of functional interactions-genetic interaction, co-expression and perturbation interactions. Moreover, we demonstrate that graph topological scale spaces capture biologically meaningful features that provide new insights into the link between function and protein network architecture. Matlab(TM) code to calculate the scale-aware topological measures (STMs) is available at http://bioinformatics.tudelft.nl/TSSA © The Author 2014. Published by Oxford University Press.

Tumble Graphs: Avoiding Misleading End Point Extrapolation When Graphing Interactions From a Moderated Multiple Regression Analysis

ERIC Educational Resources Information Center

Bodner, Todd E.

2016-01-01

This article revisits how the end points of plotted line segments should be selected when graphing interactions involving a continuous target predictor variable. Under the standard approach, end points are chosen at ±1 or 2 standard deviations from the target predictor mean. However, when the target predictor and moderator are correlated or the…

Quantum walks of interacting fermions on a cycle graph

PubMed Central

Melnikov, Alexey A.; Fedichkin, Leonid E.

2016-01-01

Quantum walks have been employed widely to develop new tools for quantum information processing recently. A natural quantum walk dynamics of interacting particles can be used to implement efficiently the universal quantum computation. In this work quantum walks of electrons on a graph are studied. The graph is composed of semiconductor quantum dots arranged in a circle. Electrons can tunnel between adjacent dots and interact via Coulomb repulsion, which leads to entanglement. Fermionic entanglement dynamics is obtained and evaluated. PMID:27681057

What to Use for Mathematics in High School: PC, Tablet or Graphing Calculator?

ERIC Educational Resources Information Center

Korenova, Lilla

2015-01-01

Digital technologies have made their way not only into our everyday lives, but nowadays they are also commonly used in schools. Computers, tablets and smartphones are now part of the lives of this new generation of students, so it's only natural that they are used for educational purposes as well. Besides the interactive whiteboards, computers and…

GLO-STIX: Graph-Level Operations for Specifying Techniques and Interactive eXploration

PubMed Central

Stolper, Charles D.; Kahng, Minsuk; Lin, Zhiyuan; Foerster, Florian; Goel, Aakash; Stasko, John; Chau, Duen Horng

2015-01-01

The field of graph visualization has produced a wealth of visualization techniques for accomplishing a variety of analysis tasks. Therefore analysts often rely on a suite of different techniques, and visual graph analysis application builders strive to provide this breadth of techniques. To provide a holistic model for specifying network visualization techniques (as opposed to considering each technique in isolation) we present the Graph-Level Operations (GLO) model. We describe a method for identifying GLOs and apply it to identify five classes of GLOs, which can be flexibly combined to re-create six canonical graph visualization techniques. We discuss advantages of the GLO model, including potentially discovering new, effective network visualization techniques and easing the engineering challenges of building multi-technique graph visualization applications. Finally, we implement the GLOs that we identified into the GLO-STIX prototype system that enables an analyst to interactively explore a graph by applying GLOs. PMID:26005315

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.

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

PubMed

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

2016-01-01

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

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.

Visual graph query formulation and exploration: a new perspective on information retrieval at the edge

NASA Astrophysics Data System (ADS)

Kase, Sue E.; Vanni, Michelle; Knight, Joanne A.; Su, Yu; Yan, Xifeng

2016-05-01

Within operational environments decisions must be made quickly based on the information available. Identifying an appropriate knowledge base and accurately formulating a search query are critical tasks for decision-making effectiveness in dynamic situations. The spreading of graph data management tools to access large graph databases is a rapidly emerging research area of potential benefit to the intelligence community. A graph representation provides a natural way of modeling data in a wide variety of domains. Graph structures use nodes, edges, and properties to represent and store data. This research investigates the advantages of information search by graph query initiated by the analyst and interactively refined within the contextual dimensions of the answer space toward a solution. The paper introduces SLQ, a user-friendly graph querying system enabling the visual formulation of schemaless and structureless graph queries. SLQ is demonstrated with an intelligence analyst information search scenario focused on identifying individuals responsible for manufacturing a mosquito-hosted deadly virus. The scenario highlights the interactive construction of graph queries without prior training in complex query languages or graph databases, intuitive navigation through the problem space, and visualization of results in graphical format.

TreePlus: interactive exploration of networks with enhanced tree layouts.

PubMed

Lee, Bongshin; Parr, Cynthia S; Plaisant, Catherine; Bederson, Benjamin B; Veksler, Vladislav D; Gray, Wayne D; Kotfila, Christopher

2006-01-01

Despite extensive research, it is still difficult to produce effective interactive layouts for large graphs. Dense layout and occlusion make food webs, ontologies, and social networks difficult to understand and interact with. We propose a new interactive Visual Analytics component called TreePlus that is based on a tree-style layout. TreePlus reveals the missing graph structure with visualization and interaction while maintaining good readability. To support exploration of the local structure of the graph and gathering of information from the extensive reading of labels, we use a guiding metaphor of "Plant a seed and watch it grow." It allows users to start with a node and expand the graph as needed, which complements the classic overview techniques that can be effective at (but often limited to) revealing clusters. We describe our design goals, describe the interface, and report on a controlled user study with 28 participants comparing TreePlus with a traditional graph interface for six tasks. In general, the advantage of TreePlus over the traditional interface increased as the density of the displayed data increased. Participants also reported higher levels of confidence in their answers with TreePlus and most of them preferred TreePlus.

Multiple sclerosis lesion segmentation using an automatic multimodal graph cuts.

PubMed

García-Lorenzo, Daniel; Lecoeur, Jeremy; Arnold, Douglas L; Collins, D Louis; Barillot, Christian

2009-01-01

Graph Cuts have been shown as a powerful interactive segmentation technique in several medical domains. We propose to automate the Graph Cuts in order to automatically segment Multiple Sclerosis (MS) lesions in MRI. We replace the manual interaction with a robust EM-based approach in order to discriminate between MS lesions and the Normal Appearing Brain Tissues (NABT). Evaluation is performed in synthetic and real images showing good agreement between the automatic segmentation and the target segmentation. We compare our algorithm with the state of the art techniques and with several manual segmentations. An advantage of our algorithm over previously published ones is the possibility to semi-automatically improve the segmentation due to the Graph Cuts interactive feature.

Design features of graphs in health risk communication: a systematic review.

PubMed

Ancker, Jessica S; Senathirajah, Yalini; Kukafka, Rita; Starren, Justin B

2006-01-01

This review describes recent experimental and focus group research on graphics as a method of communication about quantitative health risks. Some of the studies discussed in this review assessed effect of graphs on quantitative reasoning, others assessed effects on behavior or behavioral intentions, and still others assessed viewers' likes and dislikes. Graphical features that improve the accuracy of quantitative reasoning appear to differ from the features most likely to alter behavior or intentions. For example, graphs that make part-to-whole relationships available visually may help people attend to the relationship between the numerator (the number of people affected by a hazard) and the denominator (the entire population at risk), whereas graphs that show only the numerator appear to inflate the perceived risk and may induce risk-averse behavior. Viewers often preferred design features such as visual simplicity and familiarity that were not associated with accurate quantitative judgments. Communicators should not assume that all graphics are more intuitive than text; many of the studies found that patients' interpretations of the graphics were dependent upon expertise or instruction. Potentially useful directions for continuing research include interactions with educational level and numeracy and successful ways to communicate uncertainty about risk.

Graph theoretical stable allocation as a tool for reproduction of control by human operators

NASA Astrophysics Data System (ADS)

van Nooijen, Ronald; Ertsen, Maurits; Kolechkina, Alla

2016-04-01

During the design of central control algorithms for existing water resource systems under manual control it is important to consider the interaction with parts of the system that remain under manual control and to compare the proposed new system with the existing manual methods. In graph theory the "stable allocation" problem has good solution algorithms and allows for formulation of flow distribution problems in terms of priorities. As a test case for the use of this approach we used the algorithm to derive water allocation rules for the Gezira Scheme, an irrigation system located between the Blue and White Niles south of Khartoum. In 1925, Gezira started with 300,000 acres; currently it covers close to two million acres.

Topology and static response of interaction networks in molecular biology

PubMed Central

Radulescu, Ovidiu; Lagarrigue, Sandrine; Siegel, Anne; Veber, Philippe; Le Borgne, Michel

2005-01-01

We introduce a mathematical framework describing static response of networks occurring in molecular biology. This formalism has many similarities with the Laplace–Kirchhoff equations for electrical networks. We introduce the concept of graph boundary and we show how the response of the biological networks to external perturbations can be related to the Dirichlet or Neumann problems for the corresponding equations on the interaction graph. Solutions to these two problems are given in terms of path moduli (measuring path rigidity with respect to the propagation of interaction along the graph). Path moduli are related to loop products in the interaction graph via generalized Mason–Coates formulae. We apply our results to two specific biological examples: the lactose operon and the genetic regulation of lipogenesis. Our applications show consistency with experimental results and in the case of lipogenesis check some hypothesis on the behaviour of hepatic fatty acids on fasting. PMID:16849230

Multi-A Graph Patrolling and Partitioning

NASA Astrophysics Data System (ADS)

Elor, Y.; Bruckstein, A. M.

2012-12-01

We introduce a novel multi agent patrolling algorithm inspired by the behavior of gas filled balloons. Very low capability ant-like agents are considered with the task of patrolling an unknown area modeled as a graph. While executing the proposed algorithm, the agents dynamically partition the graph between them using simple local interactions, every agent assuming the responsibility for patrolling his subgraph. Balanced graph partition is an emergent behavior due to the local interactions between the agents in the swarm. Extensive simulations on various graphs (environments) showed that the average time to reach a balanced partition is linear with the graph size. The simulations yielded a convincing argument for conjecturing that if the graph being patrolled contains a balanced partition, the agents will find it. However, we could not prove this. Nevertheless, we have proved that if a balanced partition is reached, the maximum time lag between two successive visits to any vertex using the proposed strategy is at most twice the optimal so the patrol quality is at least half the optimal. In case of weighted graphs the patrol quality is at least (1)/(2){lmin}/{lmax} of the optimal where lmax (lmin) is the longest (shortest) edge in the graph.

PDB2Graph: A toolbox for identifying critical amino acids map in proteins based on graph theory.

PubMed

Niknam, Niloofar; Khakzad, Hamed; Arab, Seyed Shahriar; Naderi-Manesh, Hossein

2016-05-01

The integrative and cooperative nature of protein structure involves the assessment of topological and global features of constituent parts. Network concept takes complete advantage of both of these properties in the analysis concomitantly. High compatibility to structural concepts or physicochemical properties in addition to exploiting a remarkable simplification in the system has made network an ideal tool to explore biological systems. There are numerous examples in which different protein structural and functional characteristics have been clarified by the network approach. Here, we present an interactive and user-friendly Matlab-based toolbox, PDB2Graph, devoted to protein structure network construction, visualization, and analysis. Moreover, PDB2Graph is an appropriate tool for identifying critical nodes involved in protein structural robustness and function based on centrality indices. It maps critical amino acids in protein networks and can greatly aid structural biologists in selecting proper amino acid candidates for manipulating protein structures in a more reasonable and rational manner. To introduce the capability and efficiency of PDB2Graph in detail, the structural modification of Calmodulin through allosteric binding of Ca(2+) is considered. In addition, a mutational analysis for three well-identified model proteins including Phage T4 lysozyme, Barnase and Ribonuclease HI, was performed to inspect the influence of mutating important central residues on protein activity. Copyright © 2016 Elsevier Ltd. All rights reserved.

DI: An interactive debugging interpreter for applicative languages

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

Skedzielewski, S.K.; Yates, R.K.; Oldehoeft, R.R.

1987-03-12

The DI interpreter is both a debugger and interpreter of SISLAL programs. Its use as a program interpreter is only a small part of its role; it is designed to be a tool for studying compilation techniques for applicative languages. DI interprets dataflow graphs expressed in the IF1 and IF2 languages, and is heavily instrumented to report the activity of dynamic storage activity, reference counting, copying and updating of structured data values. It also aids the SISAL language evaluation by providing an interim execution vehicle for SISAL programs. DI provides determinate, sequential interpretation of graph nodes for sequential and parallelmore » operations in a canonical order. As a debugging aid, DI allows tracing, breakpointing, and interactive display of program data values. DI handles creation of SISAL and IF1 error values for each data type and propagates them according to a well-defined algebra. We have begun to implement IF1 optimizers and have measured the improvements with DI.« less

Project on Teaching Charts and Graphs to ABE Students. Part I: Teacher's Guide [and] Part II: Transparency Assembly Package.

ERIC Educational Resources Information Center

Renton Vocational Inst., WA.

The teacher's guide and collection of transparency masters are designed for use in teaching adult basic education (ABE) students how to read and interpret graphs and charts. Covered in the individual lessons of the instructional unit are the reading and interpretation of charts as well as picture, line, bar, and circle graphs. Each unit contains a…

So Many Graphs, So Little Time

ERIC Educational Resources Information Center

Wall, Jennifer J.; Benson, Christine C.

2009-01-01

Interpreting graphs found in various content areas is an important skill for students, especially in light of high-stakes testing. In addition, reading and understanding graphs is an important part of numeracy, or numeric literacy, a skill necessary for informed citizenry. This article explores the different categories of graphs, provides…

Do Graphs Promote Learning in Principles of Economics?

ERIC Educational Resources Information Center

Cohn, Elchanan; Cohn, Sharon; Balch, Donald C.; Bradley, James, Jr.

2001-01-01

Tests the effects on student performance when using graphs as part of a University of South Carolina (Columbia) principles of economics lecture. Finds in 1995 that students in the lecture with graphs had significantly lower gain scores than those in the no-graphs lecture. Finds no significant difference in 1997. (RLH)

Mining and Indexing Graph Databases

ERIC Educational Resources Information Center

Yuan, Dayu

2013-01-01

Graphs are widely used to model structures and relationships of objects in various scientific and commercial fields. Chemical molecules, proteins, malware system-call dependencies and three-dimensional mechanical parts are all modeled as graphs. In this dissertation, we propose to mine and index those graph data to enable fast and scalable search.…

Temporal dynamics and impact of event interactions in cyber-social populations

NASA Astrophysics Data System (ADS)

Zhang, Yi-Qing; Li, Xiang

2013-03-01

The advance of information technologies provides powerful measures to digitize social interactions and facilitate quantitative investigations. To explore large-scale indoor interactions of a social population, we analyze 18 715 users' Wi-Fi access logs recorded in a Chinese university campus during 3 months, and define event interaction (EI) to characterize the concurrent interactions of multiple users inferred by their geographic coincidences—co-locating in the same small region at the same time. We propose three rules to construct a transmission graph, which depicts the topological and temporal features of event interactions. The vertex dynamics of transmission graph tells that the active durations of EIs fall into the truncated power-law distributions, which is independent on the number of involved individuals. The edge dynamics of transmission graph reports that the transmission durations present a truncated power-law pattern independent on the daily and weekly periodicities. Besides, in the aggregated transmission graph, low-degree vertices previously neglected in the aggregated static networks may participate in the large-degree EIs, which is verified by three data sets covering different sizes of social populations with various rendezvouses. This work highlights the temporal significance of event interactions in cyber-social populations.

F-RAG: Generating Atomic Coordinates from RNA Graphs by Fragment Assembly.

PubMed

Jain, Swati; Schlick, Tamar

2017-11-24

Coarse-grained models represent attractive approaches to analyze and simulate ribonucleic acid (RNA) molecules, for example, for structure prediction and design, as they simplify the RNA structure to reduce the conformational search space. Our structure prediction protocol RAGTOP (RNA-As-Graphs Topology Prediction) represents RNA structures as tree graphs and samples graph topologies to produce candidate graphs. However, for a more detailed study and analysis, construction of atomic from coarse-grained models is required. Here we present our graph-based fragment assembly algorithm (F-RAG) to convert candidate three-dimensional (3D) tree graph models, produced by RAGTOP into atomic structures. We use our related RAG-3D utilities to partition graphs into subgraphs and search for structurally similar atomic fragments in a data set of RNA 3D structures. The fragments are edited and superimposed using common residues, full atomic models are scored using RAGTOP's knowledge-based potential, and geometries of top scoring models is optimized. To evaluate our models, we assess all-atom RMSDs and Interaction Network Fidelity (a measure of residue interactions) with respect to experimentally solved structures and compare our results to other fragment assembly programs. For a set of 50 RNA structures, we obtain atomic models with reasonable geometries and interactions, particularly good for RNAs containing junctions. Additional improvements to our protocol and databases are outlined. These results provide a good foundation for further work on RNA structure prediction and design applications. Copyright © 2017 Elsevier Ltd. All rights reserved.

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).

Methods of visualizing graphs

DOEpatents

Wong, Pak C.; Mackey, Patrick S.; Perrine, Kenneth A.; Foote, Harlan P.; Thomas, James J.

2008-12-23

Methods for visualizing a graph by automatically drawing elements of the graph as labels are disclosed. In one embodiment, the method comprises receiving node information and edge information from an input device and/or communication interface, constructing a graph layout based at least in part on that information, wherein the edges are automatically drawn as labels, and displaying the graph on a display device according to the graph layout. In some embodiments, the nodes are automatically drawn as labels instead of, or in addition to, the label-edges.

Graph Visualization for RDF Graphs with SPARQL-EndPoints

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

Sukumar, Sreenivas R; Bond, Nathaniel

2014-07-11

RDF graphs are hard to visualize as triples. This software module is a web interface that connects to a SPARQL endpoint and retrieves graph data that the user can explore interactively and seamlessly. The software written in python and JavaScript has been tested to work on screens as little as the smart phones to large screens such as EVEREST.

Overlapping community detection based on link graph using distance dynamics

NASA Astrophysics Data System (ADS)

Chen, Lei; Zhang, Jing; Cai, Li-Jun

2018-01-01

The distance dynamics model was recently proposed to detect the disjoint community of a complex network. To identify the overlapping structure of a network using the distance dynamics model, an overlapping community detection algorithm, called L-Attractor, is proposed in this paper. The process of L-Attractor mainly consists of three phases. In the first phase, L-Attractor transforms the original graph to a link graph (a new edge graph) to assure that one node has multiple distances. In the second phase, using the improved distance dynamics model, a dynamic interaction process is introduced to simulate the distance dynamics (shrink or stretch). Through the dynamic interaction process, all distances converge, and the disjoint community structure of the link graph naturally manifests itself. In the third phase, a recovery method is designed to convert the disjoint community structure of the link graph to the overlapping community structure of the original graph. Extensive experiments are conducted on the LFR benchmark networks as well as real-world networks. Based on the results, our algorithm demonstrates higher accuracy and quality than other state-of-the-art algorithms.

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.

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

Zhang, Guo Qiang; Luo, Lingyun; Ogbuji, Chime

The interaction of multiple types of relationships among anatomical classes in the Foundational Model of Anatomy (FMA) can provide inferred information valuable for quality assurance. This paper introduces a method called Motif Checking (MOCH) to study the effects of such multi-relation type interactions. MOCH represents patterns of multitype interaction as small labeled sub-graph motifs, whose nodes represent class variables, and labeled edges represent relational types. By representing FMA as an RDF graph and motifs as SPARQL queries, fragments of FMA are automatically obtained as auditing candidates. Leveraging the scalability and reconfigurability of Semantic Web Technology (OWL, RDF and SPARQL) andmore » Virtuoso, we performed exhaustive analyses of three 2-node motifs, resulting in 638 matching FMA configurations; twelve 3-node motifs, resulting in 202,960 configurations. Using the Principal Ideal Explorer (PIE) methodology as an extension of MOCH, we were able to identify 755 root nodes with 4,100 respective descendants with opposing antonyms in their class names for arbitrary-length motifs. With possible disjointness implied by antonyms, we performed manual inspection of a subset of the resulting FMA fragments and tracked down a source of abnormal inferred conclusions (captured by the motifs), coming from a gender-neutral class being modeled as a part of gender-specific class, such as “Urinary system” is a part of “Female human body.” Our results demonstrate that MOCH and PIE provide a unique source of valuable information for quality assurance. Since our approach is general, it is applicable to any ontological system with an OWL representation.« less

Less Is Less: A Systematic Review of Graph Use in Meta-Analyses

ERIC Educational Resources Information Center

Schild, Anne H. E.; Voracek, Martin

2013-01-01

Graphs are an essential part of scientific communication. Complex datasets, of which meta-analyses are textbook examples, benefit the most from visualization. Although a number of graph options for meta-analyses exist, the extent to which these are used was hitherto unclear. A systematic review on graph use in meta-analyses in three disciplines…

Interactive Web Graphs for Economic Principles.

ERIC Educational Resources Information Center

Kaufman, Dennis A.; Kaufman, Rebecca S.

2002-01-01

Describes a Web site with animation and interactive activities containing graphs and basic economics concepts. Features changes in supply and market equilibrium, the construction of the long-run average cost curve, short-run profit maximization, long-run market equilibrium, and changes in aggregate demand and aggregate supply. States the…

Exploring information from the topology beneath the Gene Ontology terms to improve semantic similarity measures.

PubMed

Zhang, Shu-Bo; Lai, Jian-Huang

2016-07-15

Measuring the similarity between pairs of biological entities is important in molecular biology. The introduction of Gene Ontology (GO) provides us with a promising approach to quantifying the semantic similarity between two genes or gene products. This kind of similarity measure is closely associated with the GO terms annotated to biological entities under consideration and the structure of the GO graph. However, previous works in this field mainly focused on the upper part of the graph, and seldom concerned about the lower part. In this study, we aim to explore information from the lower part of the GO graph for better semantic similarity. We proposed a framework to quantify the similarity measure beneath a term pair, which takes into account both the information two ancestral terms share and the probability that they co-occur with their common descendants. The effectiveness of our approach was evaluated against seven typical measurements on public platform CESSM, protein-protein interaction and gene expression datasets. Experimental results consistently show that the similarity derived from the lower part contributes to better semantic similarity measure. The promising features of our approach are the following: (1) it provides a mirror model to characterize the information two ancestral terms share with respect to their common descendant; (2) it quantifies the probability that two terms co-occur with their common descendant in an efficient way; and (3) our framework can effectively capture the similarity measure beneath two terms, which can serve as an add-on to improve traditional semantic similarity measure between two GO terms. The algorithm was implemented in Matlab and is freely available from http://ejl.org.cn/bio/GOBeneath/. Copyright © 2016 Elsevier B.V. All rights reserved.

Surface-region context in optimal multi-object graph-based segmentation: robust delineation of pulmonary tumors.

PubMed

Song, Qi; Chen, Mingqing; Bai, Junjie; Sonka, Milan; Wu, Xiaodong

2011-01-01

Multi-object segmentation with mutual interaction is a challenging task in medical image analysis. We report a novel solution to a segmentation problem, in which target objects of arbitrary shape mutually interact with terrain-like surfaces, which widely exists in the medical imaging field. The approach incorporates context information used during simultaneous segmentation of multiple objects. The object-surface interaction information is encoded by adding weighted inter-graph arcs to our graph model. A globally optimal solution is achieved by solving a single maximum flow problem in a low-order polynomial time. The performance of the method was evaluated in robust delineation of lung tumors in megavoltage cone-beam CT images in comparison with an expert-defined independent standard. The evaluation showed that our method generated highly accurate tumor segmentations. Compared with the conventional graph-cut method, our new approach provided significantly better results (p < 0.001). The Dice coefficient obtained by the conventional graph-cut approach (0.76 +/- 0.10) was improved to 0.84 +/- 0.05 when employing our new method for pulmonary tumor segmentation.

Energy Minimization of Discrete Protein Titration State Models Using Graph Theory.

PubMed

Purvine, Emilie; Monson, Kyle; Jurrus, Elizabeth; Star, Keith; Baker, Nathan A

2016-08-25

There are several applications in computational biophysics that require the optimization of discrete interacting states, for example, amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can be very time-consuming as it scales exponentially in the number of sites to be optimized. In this paper, we describe a new polynomial time algorithm for optimization of discrete states in macromolecular systems. This algorithm was adapted from image processing and uses techniques from discrete mathematics and graph theory to restate the optimization problem in terms of "maximum flow-minimum cut" graph analysis. The interaction energy graph, a graph in which vertices (amino acids) and edges (interactions) are weighted with their respective energies, is transformed into a flow network in which the value of the minimum cut in the network equals the minimum free energy of the protein and the cut itself encodes the state that achieves the minimum free energy. Because of its deterministic nature and polynomial time performance, this algorithm has the potential to allow for the ionization state of larger proteins to be discovered.

Energy Minimization of Discrete Protein Titration State Models Using Graph Theory

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

Purvine, Emilie AH; Monson, Kyle E.; Jurrus, Elizabeth R.

There are several applications in computational biophysics which require the optimization of discrete interacting states; e.g., amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can be very time-consuming as it scales exponentially in the number of sites to be optimized. In this paper, we describe a new polynomial-time algorithm for optimization of discrete states in macromolecular systems. This algorithm was adapted from image processing and uses techniques from discrete mathematics and graph theory to restate the optimization problem in terms of maximum flow-minimum cut graph analysis. The interaction energy graph, a graph in which verticesmore » (amino acids) and edges (interactions) are weighted with their respective energies, is transformed into a flow network in which the value of the minimum cut in the network equals the minimum free energy of the protein, and the cut itself encodes the state that achieves the minimum free energy. Because of its deterministic nature and polynomial-time performance, this algorithm has the potential to allow for the ionization state of larger proteins to be discovered.« less

Energy Minimization of Discrete Protein Titration State Models Using Graph Theory

PubMed Central

Purvine, Emilie; Monson, Kyle; Jurrus, Elizabeth; Star, Keith; Baker, Nathan A.

2016-01-01

There are several applications in computational biophysics which require the optimization of discrete interacting states; e.g., amino acid titration states, ligand oxidation states, or discrete rotamer angles. Such optimization can be very time-consuming as it scales exponentially in the number of sites to be optimized. In this paper, we describe a new polynomial-time algorithm for optimization of discrete states in macromolecular systems. This algorithm was adapted from image processing and uses techniques from discrete mathematics and graph theory to restate the optimization problem in terms of “maximum flow-minimum cut” graph analysis. The interaction energy graph, a graph in which vertices (amino acids) and edges (interactions) are weighted with their respective energies, is transformed into a flow network in which the value of the minimum cut in the network equals the minimum free energy of the protein, and the cut itself encodes the state that achieves the minimum free energy. Because of its deterministic nature and polynomial-time performance, this algorithm has the potential to allow for the ionization state of larger proteins to be discovered. PMID:27089174

Interactive Web Graphs with Fewer Restrictions

NASA Technical Reports Server (NTRS)

Fiedler, James

2012-01-01

There is growing popularity for interactive, statistical web graphs and programs to generate them. However, it seems that these programs tend to be somewhat restricted in which web browsers and statistical software are supported. For example, the software might use SVG (e.g., Protovis, gridSVG) or HTML canvas, both of which exclude most versions of Internet Explorer, or the software might be made specifically for R (gridSVG, CRanvas), thus excluding users of other stats software. There are more general tools (d3, Rapha lJS) which are compatible with most browsers, but using one of these to make statistical graphs requires more coding than is probably desired, and requires learning a new tool. This talk will present a method for making interactive web graphs, which, by design, attempts to support as many browsers and as many statistical programs as possible, while also aiming to be relatively easy to use and relatively easy to extend.

A distributed query execution engine of big attributed graphs.

PubMed

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

2016-01-01

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

Applying graph theory to protein structures: an atlas of coiled coils.

PubMed

Heal, Jack W; Bartlett, Gail J; Wood, Christopher W; Thomson, Andrew R; Woolfson, Derek N

2018-05-02

To understand protein structure, folding and function fully and to design proteins de novo reliably, we must learn from natural protein structures that have been characterised experimentally. The number of protein structures available is large and growing exponentially, which makes this task challenging. Indeed, computational resources are becoming increasingly important for classifying and analysing this resource. Here, we use tools from graph theory to define an atlas classification scheme for automatically categorising certain protein substructures. Focusing on the α-helical coiled coils, which are ubiquitous protein-structure and protein-protein interaction motifs, we present a suite of computational resources designed for analysing these assemblies. iSOCKET enables interactive analysis of side-chain packing within proteins to identify coiled coils automatically and with considerable user control. Applying a graph theory-based atlas classification scheme to structures identified by iSOCKET gives the Atlas of Coiled Coils, a fully automated, updated overview of extant coiled coils. The utility of this approach is illustrated with the first formal classification of an emerging subclass of coiled coils called α-helical barrels. Furthermore, in the Atlas, the known coiled-coil universe is presented alongside a partial enumeration of the 'dark matter' of coiled-coil structures; i.e., those coiled-coil architectures that are theoretically possible but have not been observed to date, and thus present defined targets for protein design. iSOCKET is available as part of the open-source GitHub repository associated with this work (https://github.com/woolfson-group/isocket). This repository also contains all the data generated when classifying the protein graphs. The Atlas of Coiled Coils is available at: http://coiledcoils.chm.bris.ac.uk/atlas/app.

Prediction of Oncogenic Interactions and Cancer-Related Signaling Networks Based on Network Topology

PubMed Central

Acencio, Marcio Luis; Bovolenta, Luiz Augusto; Camilo, Esther; Lemke, Ney

2013-01-01

Cancer has been increasingly recognized as a systems biology disease since many investigators have demonstrated that this malignant phenotype emerges from abnormal protein-protein, regulatory and metabolic interactions induced by simultaneous structural and regulatory changes in multiple genes and pathways. Therefore, the identification of oncogenic interactions and cancer-related signaling networks is crucial for better understanding cancer. As experimental techniques for determining such interactions and signaling networks are labor-intensive and time-consuming, the development of a computational approach capable to accomplish this task would be of great value. For this purpose, we present here a novel computational approach based on network topology and machine learning capable to predict oncogenic interactions and extract relevant cancer-related signaling subnetworks from an integrated network of human genes interactions (INHGI). This approach, called graph2sig, is twofold: first, it assigns oncogenic scores to all interactions in the INHGI and then these oncogenic scores are used as edge weights to extract oncogenic signaling subnetworks from INHGI. Regarding the prediction of oncogenic interactions, we showed that graph2sig is able to recover 89% of known oncogenic interactions with a precision of 77%. Moreover, the interactions that received high oncogenic scores are enriched in genes for which mutations have been causally implicated in cancer. We also demonstrated that graph2sig is potentially useful in extracting oncogenic signaling subnetworks: more than 80% of constructed subnetworks contain more than 50% of original interactions in their corresponding oncogenic linear pathways present in the KEGG PATHWAY database. In addition, the potential oncogenic signaling subnetworks discovered by graph2sig are supported by experimental evidence. Taken together, these results suggest that graph2sig can be a useful tool for investigators involved in cancer research interested in detecting signaling networks most prone to contribute with the emergence of malignant phenotype. PMID:24204854

[A graph cuts-based interactive method for segmentation of magnetic resonance images of meningioma].

PubMed

Li, Shuan-qiang; Feng, Qian-jin; Chen, Wu-fan; Lin, Ya-zhong

2011-06-01

For accurate segmentation of the magnetic resonance (MR) images of meningioma, we propose a novel interactive segmentation method based on graph cuts. The high dimensional image features was extracted, and for each pixel, the probabilities of its origin, either the tumor or the background regions, were estimated by exploiting the weighted K-nearest neighborhood classifier. Based on these probabilities, a new energy function was proposed. Finally, a graph cut optimal framework was used for the solution of the energy function. The proposed method was evaluated by application in the segmentation of MR images of meningioma, and the results showed that the method significantly improved the segmentation accuracy compared with the gray level information-based graph cut method.

Statistical Literacy in Action: Should All Graphs Start at Zero?

ERIC Educational Resources Information Center

Watson, Jane

2015-01-01

Using statistical literacy skills to determine appropriate scales to be used on graphs is an essential part of numeracy. Using several meaningful contexts, this article explains very clearly when it is appropriate and inappropriate to begin the scale of a graph at zero.

Integrated VR platform for 3D and image-based models: a step toward interactive image-based virtual environments

NASA Astrophysics Data System (ADS)

Yoon, Jayoung; Kim, Gerard J.

2003-04-01

Traditionally, three dimension models have been used for building virtual worlds, and a data structure called the "scene graph" is often employed to organize these 3D objects in the virtual space. On the other hand, image-based rendering has recently been suggested as a probable alternative VR platform for its photo-realism, however, due to limited interactivity, it has only been used for simple navigation systems. To combine the merits of these two approaches to object/scene representations, this paper proposes for a scene graph structure in which both 3D models and various image-based scenes/objects can be defined, traversed, and rendered together. In fact, as suggested by Shade et al., these different representations can be used as different LOD's for a given object. For instance, an object might be rendered using a 3D model at close range, a billboard at an intermediate range, and as part of an environment map at far range. The ultimate objective of this mixed platform is to breath more interactivity into the image based rendered VE's by employing 3D models as well. There are several technical challenges in devising such a platform: designing scene graph nodes for various types of image based techniques, establishing criteria for LOD/representation selection, handling their transitions, implementing appropriate interaction schemes, and correctly rendering the overall scene. Currently, we have extended the scene graph structure of the Sense8's WorldToolKit, to accommodate new node types for environment maps billboards, moving textures and sprites, "Tour-into-the-Picture" structure, and view interpolated objects. As for choosing the right LOD level, the usual viewing distance and image space criteria are used, however, the switching between the image and 3D model occurs at a distance from the user where the user starts to perceive the object's internal depth. Also, during interaction, regardless of the viewing distance, a 3D representation would be used, it if exists. Before rendering, objects are conservatively culled from the view frustum using the representation with the largest volume. Finally, we carried out experiments to verify the theoretical derivation of the switching rule and obtained positive results.

Measuring Two-Event Structural Correlations on Graphs

DTIC Science & Technology

2012-08-01

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

Graphical Interaction Analysis Impact on Groups Collaborating through Blogs

ERIC Educational Resources Information Center

Fessakis, Georgios; Dimitracopoulou, Angelique; Palaiodimos, Aggelos

2013-01-01

This paper presents empirical research results regarding the impact of Interaction Analysis (IA) graphs on groups of students collaborating through online blogging according to a "learning by design" scenario. The IA graphs used are of two categories; the first category summarizes quantitatively the activity of the users for each blog,…

An Interactive Teaching System for Bond Graph Modeling and Simulation in Bioengineering

ERIC Educational Resources Information Center

Roman, Monica; Popescu, Dorin; Selisteanu, Dan

2013-01-01

The objective of the present work was to implement a teaching system useful in modeling and simulation of biotechnological processes. The interactive system is based on applications developed using 20-sim modeling and simulation software environment. A procedure for the simulation of bioprocesses modeled by bond graphs is proposed and simulators…

Data visualization, bar naked: A free tool for creating interactive graphics.

PubMed

Weissgerber, Tracey L; Savic, Marko; Winham, Stacey J; Stanisavljevic, Dejana; Garovic, Vesna D; Milic, Natasa M

2017-12-15

Although bar graphs are designed for categorical data, they are routinely used to present continuous data in studies that have small sample sizes. This presentation is problematic, as many data distributions can lead to the same bar graph, and the actual data may suggest different conclusions from the summary statistics. To address this problem, many journals have implemented new policies that require authors to show the data distribution. This paper introduces a free, web-based tool for creating an interactive alternative to the bar graph (http://statistika.mfub.bg.ac.rs/interactive-dotplot/). This tool allows authors with no programming expertise to create customized interactive graphics, including univariate scatterplots, box plots, and violin plots, for comparing values of a continuous variable across different study groups. Individual data points may be overlaid on the graphs. Additional features facilitate visualization of subgroups or clusters of non-independent data. A second tool enables authors to create interactive graphics from data obtained with repeated independent experiments (http://statistika.mfub.bg.ac.rs/interactive-repeated-experiments-dotplot/). These tools are designed to encourage exploration and critical evaluation of the data behind the summary statistics and may be valuable for promoting transparency, reproducibility, and open science in basic biomedical research. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Querying graphs in protein-protein interactions networks using feedback vertex set.

PubMed

Blin, Guillaume; Sikora, Florian; Vialette, Stéphane

2010-01-01

Recent techniques increase rapidly the amount of our knowledge on interactions between proteins. The interpretation of these new information depends on our ability to retrieve known substructures in the data, the Protein-Protein Interactions (PPIs) networks. In an algorithmic point of view, it is an hard task since it often leads to NP-hard problems. To overcome this difficulty, many authors have provided tools for querying patterns with a restricted topology, i.e., paths or trees in PPI networks. Such restriction leads to the development of fixed parameter tractable (FPT) algorithms, which can be practicable for restricted sizes of queries. Unfortunately, Graph Homomorphism is a W[1]-hard problem, and hence, no FPT algorithm can be found when patterns are in the shape of general graphs. However, Dost et al. gave an algorithm (which is not implemented) to query graphs with a bounded treewidth in PPI networks (the treewidth of the query being involved in the time complexity). In this paper, we propose another algorithm for querying pattern in the shape of graphs, also based on dynamic programming and the color-coding technique. To transform graphs queries into trees without loss of informations, we use feedback vertex set coupled to a node duplication mechanism. Hence, our algorithm is FPT for querying graphs with a bounded size of their feedback vertex set. It gives an alternative to the treewidth parameter, which can be better or worst for a given query. We provide a python implementation which allows us to validate our implementation on real data. Especially, we retrieve some human queries in the shape of graphs into the fly PPI network.

FUSE: a profit maximization approach for functional summarization of biological networks.

PubMed

Seah, Boon-Siew; Bhowmick, Sourav S; Dewey, C Forbes; Yu, Hanry

2012-03-21

The availability of large-scale curated protein interaction datasets has given rise to the opportunity to investigate higher level organization and modularity within the protein interaction network (PPI) using graph theoretic analysis. Despite the recent progress, systems level analysis of PPIS remains a daunting task as it is challenging to make sense out of the deluge of high-dimensional interaction data. Specifically, techniques that automatically abstract and summarize PPIS at multiple resolutions to provide high level views of its functional landscape are still lacking. We present a novel data-driven and generic algorithm called FUSE (Functional Summary Generator) that generates functional maps of a PPI at different levels of organization, from broad process-process level interactions to in-depth complex-complex level interactions, through a pro t maximization approach that exploits Minimum Description Length (MDL) principle to maximize information gain of the summary graph while satisfying the level of detail constraint. We evaluate the performance of FUSE on several real-world PPIS. We also compare FUSE to state-of-the-art graph clustering methods with GO term enrichment by constructing the biological process landscape of the PPIS. Using AD network as our case study, we further demonstrate the ability of FUSE to quickly summarize the network and identify many different processes and complexes that regulate it. Finally, we study the higher-order connectivity of the human PPI. By simultaneously evaluating interaction and annotation data, FUSE abstracts higher-order interaction maps by reducing the details of the underlying PPI to form a functional summary graph of interconnected functional clusters. Our results demonstrate its effectiveness and superiority over state-of-the-art graph clustering methods with GO term enrichment.

Graph-based normalization and whitening for non-linear data analysis.

PubMed

Aaron, Catherine

2006-01-01

In this paper we construct a graph-based normalization algorithm for non-linear data analysis. The principle of this algorithm is to get a spherical average neighborhood with unit radius. First we present a class of global dispersion measures used for "global normalization"; we then adapt these measures using a weighted graph to build a local normalization called "graph-based" normalization. Then we give details of the graph-based normalization algorithm and illustrate some results. In the second part we present a graph-based whitening algorithm built by analogy between the "global" and the "local" problem.

Inspection of aeronautical mechanical parts with a pan-tilt-zoom camera: an approach guided by the computer-aided design model

NASA Astrophysics Data System (ADS)

Viana, Ilisio; Orteu, Jean-José; Cornille, Nicolas; Bugarin, Florian

2015-11-01

We focus on quality control of mechanical parts in aeronautical context using a single pan-tilt-zoom (PTZ) camera and a computer-aided design (CAD) model of the mechanical part. We use the CAD model to create a theoretical image of the element to be checked, which is further matched with the sensed image of the element to be inspected, using a graph theory-based approach. The matching is carried out in two stages. First, the two images are used to create two attributed graphs representing the primitives (ellipses and line segments) in the images. In the second stage, the graphs are matched using a similarity function built from the primitive parameters. The similarity scores of the matching are injected in the edges of a bipartite graph. A best-match-search procedure in the bipartite graph guarantees the uniqueness of the match solution. The method achieves promising performance in tests with synthetic data including missing elements, displaced elements, size changes, and combinations of these cases. The results open good prospects for using the method with realistic data.

Instability of Bose-Einstein condensation into the one-particle ground state on quantum graphs under repulsive perturbations

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

Bolte, Jens, E-mail: jens.bolte@rhul.ac.uk; Kerner, Joachim, E-mail: joachim.kerner@fernuni-hagen.de

In this paper we investigate Bose-Einstein condensation into the one-particle ground state in interacting quantum many-particle systems on graphs. We extend previous results obtained for particles on an interval and show that even arbitrarily small repulsive two-particle interactions destroy the condensate in the one-particle ground state present in the non-interacting Bose gas. Our results also cover singular two-particle interactions, such as the well-known Lieb-Liniger model, in the thermodynamic limit.

A flocking algorithm for multi-agent systems with connectivity preservation under hybrid metric-topological interactions.

PubMed

He, Chenlong; Feng, Zuren; Ren, Zhigang

2018-01-01

In this paper, we propose a connectivity-preserving flocking algorithm for multi-agent systems in which the neighbor set of each agent is determined by the hybrid metric-topological distance so that the interaction topology can be represented as the range-limited Delaunay graph, which combines the properties of the commonly used disk graph and Delaunay graph. As a result, the proposed flocking algorithm has the following advantages over the existing ones. First, range-limited Delaunay graph is sparser than the disk graph so that the information exchange among agents is reduced significantly. Second, some links irrelevant to the connectivity can be dynamically deleted during the evolution of the system. Thus, the proposed flocking algorithm is more flexible than existing algorithms, where links are not allowed to be disconnected once they are created. Finally, the multi-agent system spontaneously generates a regular quasi-lattice formation without imposing the constraint on the ratio of the sensing range of the agent to the desired distance between two adjacent agents. With the interaction topology induced by the hybrid distance, the proposed flocking algorithm can still be implemented in a distributed manner. We prove that the proposed flocking algorithm can steer the multi-agent system to a stable flocking motion, provided the initial interaction topology of multi-agent systems is connected and the hysteresis in link addition is smaller than a derived upper bound. The correctness and effectiveness of the proposed algorithm are verified by extensive numerical simulations, where the flocking algorithms based on the disk and Delaunay graph are compared.

A flocking algorithm for multi-agent systems with connectivity preservation under hybrid metric-topological interactions

PubMed Central

Feng, Zuren; Ren, Zhigang

2018-01-01

In this paper, we propose a connectivity-preserving flocking algorithm for multi-agent systems in which the neighbor set of each agent is determined by the hybrid metric-topological distance so that the interaction topology can be represented as the range-limited Delaunay graph, which combines the properties of the commonly used disk graph and Delaunay graph. As a result, the proposed flocking algorithm has the following advantages over the existing ones. First, range-limited Delaunay graph is sparser than the disk graph so that the information exchange among agents is reduced significantly. Second, some links irrelevant to the connectivity can be dynamically deleted during the evolution of the system. Thus, the proposed flocking algorithm is more flexible than existing algorithms, where links are not allowed to be disconnected once they are created. Finally, the multi-agent system spontaneously generates a regular quasi-lattice formation without imposing the constraint on the ratio of the sensing range of the agent to the desired distance between two adjacent agents. With the interaction topology induced by the hybrid distance, the proposed flocking algorithm can still be implemented in a distributed manner. We prove that the proposed flocking algorithm can steer the multi-agent system to a stable flocking motion, provided the initial interaction topology of multi-agent systems is connected and the hysteresis in link addition is smaller than a derived upper bound. The correctness and effectiveness of the proposed algorithm are verified by extensive numerical simulations, where the flocking algorithms based on the disk and Delaunay graph are compared. PMID:29462217

Systematic dimensionality reduction for continuous-time quantum walks of interacting fermions

NASA Astrophysics Data System (ADS)

Izaac, J. A.; Wang, J. B.

2017-09-01

To extend the continuous-time quantum walk (CTQW) to simulate P distinguishable particles on a graph G composed of N vertices, the Hamiltonian of the system is expanded to act on an NP-dimensional Hilbert space, in effect, simulating the multiparticle CTQW on graph G via a single-particle CTQW propagating on the Cartesian graph product G□P. The properties of the Cartesian graph product have been well studied, and classical simulation of multiparticle CTQWs are common in the literature. However, the above approach is generally applied as is when simulating indistinguishable particles, with the particle statistics then applied to the propagated NP state vector to determine walker probabilities. We address the following question: How can we modify the underlying graph structure G□P in order to simulate multiple interacting fermionic CTQWs with a reduction in the size of the state space? In this paper, we present an algorithm for systematically removing "redundant" and forbidden quantum states from consideration, which provides a significant reduction in the effective dimension of the Hilbert space of the fermionic CTQW. As a result, as the number of interacting fermions in the system increases, the classical computational resources required no longer increases exponentially for fixed N .

The effect of Gestalt laws of perceptual organization on the comprehension of three-variable bar and line graphs.

PubMed

Ali, Nadia; Peebles, David

2013-02-01

We report three experiments investigating the ability of undergraduate college students to comprehend 2 x 2 "interaction" graphs from two-way factorial research designs. Factorial research designs are an invaluable research tool widely used in all branches of the natural and social sciences, and the teaching of such designs lies at the core of many college curricula. Such data can be represented in bar or line graph form. Previous studies have shown, however, that people interpret these two graphical forms differently. In Experiment 1, participants were required to interpret interaction data in either bar or line graphs while thinking aloud. Verbal protocol analysis revealed that line graph users were significantly more likely to misinterpret the data or fail to interpret the graph altogether. The patterns of errors line graph users made were interpreted as arising from the operation of Gestalt principles of perceptual organization, and this interpretation was used to develop two modified versions of the line graph, which were then tested in two further experiments. One of the modifications resulted in a significant improvement in performance. Results of the three experiments support the proposed explanation and demonstrate the effects (both positive and negative) of Gestalt principles of perceptual organization on graph comprehension. We propose that our new design provides a more balanced representation of the data than the standard line graph for nonexpert users to comprehend the full range of relationships in two-way factorial research designs and may therefore be considered a more appropriate representation for use in educational and other nonexpert contexts.

ESIP's Earth Science Knowledge Graph (ESKG) Testbed Project: An Automatic Approach to Building Interdisciplinary Earth Science Knowledge Graphs to Improve Data Discovery

NASA Astrophysics Data System (ADS)

McGibbney, L. J.; Jiang, Y.; Burgess, A. B.

2017-12-01

Big Earth observation data have been produced, archived and made available online, but discovering the right data in a manner that precisely and efficiently satisfies user needs presents a significant challenge to the Earth Science (ES) community. An emerging trend in information retrieval community is to utilize knowledge graphs to assist users in quickly finding desired information from across knowledge sources. This is particularly prevalent within the fields of social media and complex multimodal information processing to name but a few, however building a domain-specific knowledge graph is labour-intensive and hard to keep up-to-date. In this work, we update our progress on the Earth Science Knowledge Graph (ESKG) project; an ESIP-funded testbed project which provides an automatic approach to building a dynamic knowledge graph for ES to improve interdisciplinary data discovery by leveraging implicit, latent existing knowledge present within across several U.S Federal Agencies e.g. NASA, NOAA and USGS. ESKG strengthens ties between observations and user communities by: 1) developing a knowledge graph derived from various sources e.g. Web pages, Web Services, etc. via natural language processing and knowledge extraction techniques; 2) allowing users to traverse, explore, query, reason and navigate ES data via knowledge graph interaction. ESKG has the potential to revolutionize the way in which ES communities interact with ES data in the open world through the entity, spatial and temporal linkages and characteristics that make it up. This project enables the advancement of ESIP collaboration areas including both Discovery and Semantic Technologies by putting graph information right at our fingertips in an interactive, modern manner and reducing the efforts to constructing ontology. To demonstrate the ESKG concept, we will demonstrate use of our framework across NASA JPL's PO.DAAC, NOAA's Earth Observation Requirements Evaluation System (EORES) and various USGS systems.

A multi-level anomaly detection algorithm for time-varying graph data with interactive visualization

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

Bridges, Robert A.; Collins, John P.; Ferragut, Erik M.

This work presents a novel modeling and analysis framework for graph sequences which addresses the challenge of detecting and contextualizing anomalies in labelled, streaming graph data. We introduce a generalization of the BTER model of Seshadhri et al. by adding flexibility to community structure, and use this model to perform multi-scale graph anomaly detection. Specifically, probability models describing coarse subgraphs are built by aggregating node probabilities, and these related hierarchical models simultaneously detect deviations from expectation. This technique provides insight into a graph's structure and internal context that may shed light on a detected event. Additionally, this multi-scale analysis facilitatesmore » intuitive visualizations by allowing users to narrow focus from an anomalous graph to particular subgraphs or nodes causing the anomaly. For evaluation, two hierarchical anomaly detectors are tested against a baseline Gaussian method on a series of sampled graphs. We demonstrate that our graph statistics-based approach outperforms both a distribution-based detector and the baseline in a labeled setting with community structure, and it accurately detects anomalies in synthetic and real-world datasets at the node, subgraph, and graph levels. Furthermore, to illustrate the accessibility of information made possible via this technique, the anomaly detector and an associated interactive visualization tool are tested on NCAA football data, where teams and conferences that moved within the league are identified with perfect recall, and precision greater than 0.786.« less

A multi-level anomaly detection algorithm for time-varying graph data with interactive visualization

DOE PAGES

Bridges, Robert A.; Collins, John P.; Ferragut, Erik M.; ...

2016-01-01

This work presents a novel modeling and analysis framework for graph sequences which addresses the challenge of detecting and contextualizing anomalies in labelled, streaming graph data. We introduce a generalization of the BTER model of Seshadhri et al. by adding flexibility to community structure, and use this model to perform multi-scale graph anomaly detection. Specifically, probability models describing coarse subgraphs are built by aggregating node probabilities, and these related hierarchical models simultaneously detect deviations from expectation. This technique provides insight into a graph's structure and internal context that may shed light on a detected event. Additionally, this multi-scale analysis facilitatesmore » intuitive visualizations by allowing users to narrow focus from an anomalous graph to particular subgraphs or nodes causing the anomaly. For evaluation, two hierarchical anomaly detectors are tested against a baseline Gaussian method on a series of sampled graphs. We demonstrate that our graph statistics-based approach outperforms both a distribution-based detector and the baseline in a labeled setting with community structure, and it accurately detects anomalies in synthetic and real-world datasets at the node, subgraph, and graph levels. Furthermore, to illustrate the accessibility of information made possible via this technique, the anomaly detector and an associated interactive visualization tool are tested on NCAA football data, where teams and conferences that moved within the league are identified with perfect recall, and precision greater than 0.786.« less

An analysis of multi-type relational interactions in FMA using graph motifs with disjointness constraints.

PubMed

Zhang, Guo-Qiang; Luo, Lingyun; Ogbuji, Chime; Joslyn, Cliff; Mejino, Jose; Sahoo, Satya S

2012-01-01

The interaction of multiple types of relationships among anatomical classes in the Foundational Model of Anatomy (FMA) can provide inferred information valuable for quality assurance. This paper introduces a method called Motif Checking (MOCH) to study the effects of such multi-relation type interactions for detecting logical inconsistencies as well as other anomalies represented by the motifs. MOCH represents patterns of multi-type interaction as small labeled (with multiple types of edges) sub-graph motifs, whose nodes represent class variables, and labeled edges represent relational types. By representing FMA as an RDF graph and motifs as SPARQL queries, fragments of FMA are automatically obtained as auditing candidates. Leveraging the scalability and reconfigurability of Semantic Web Technology, we performed exhaustive analyses of a variety of labeled sub-graph motifs. The quality assurance feature of MOCH comes from the distinct use of a subset of the edges of the graph motifs as constraints for disjointness, whereby bringing in rule-based flavor to the approach as well. With possible disjointness implied by antonyms, we performed manual inspection of the resulting FMA fragments and tracked down sources of abnormal inferred conclusions (logical inconsistencies), which are amendable for programmatic revision of the FMA. Our results demonstrate that MOCH provides a unique source of valuable information for quality assurance. Since our approach is general, it is applicable to any ontological system with an OWL representation.

An Analysis of Multi-type Relational Interactions in FMA Using Graph Motifs with Disjointness Constraints

PubMed Central

Zhang, Guo-Qiang; Luo, Lingyun; Ogbuji, Chime; Joslyn, Cliff; Mejino, Jose; Sahoo, Satya S

2012-01-01

The interaction of multiple types of relationships among anatomical classes in the Foundational Model of Anatomy (FMA) can provide inferred information valuable for quality assurance. This paper introduces a method called Motif Checking (MOCH) to study the effects of such multi-relation type interactions for detecting logical inconsistencies as well as other anomalies represented by the motifs. MOCH represents patterns of multi-type interaction as small labeled (with multiple types of edges) sub-graph motifs, whose nodes represent class variables, and labeled edges represent relational types. By representing FMA as an RDF graph and motifs as SPARQL queries, fragments of FMA are automatically obtained as auditing candidates. Leveraging the scalability and reconfigurability of Semantic Web Technology, we performed exhaustive analyses of a variety of labeled sub-graph motifs. The quality assurance feature of MOCH comes from the distinct use of a subset of the edges of the graph motifs as constraints for disjointness, whereby bringing in rule-based flavor to the approach as well. With possible disjointness implied by antonyms, we performed manual inspection of the resulting FMA fragments and tracked down sources of abnormal inferred conclusions (logical inconsistencies), which are amendable for programmatic revision of the FMA. Our results demonstrate that MOCH provides a unique source of valuable information for quality assurance. Since our approach is general, it is applicable to any ontological system with an OWL representation. PMID:23304382

Network representation of protein interactions: Theory of graph description and analysis.

PubMed

Kurzbach, Dennis

2016-09-01

A methodological framework is presented for the graph theoretical interpretation of NMR data of protein interactions. The proposed analysis generalizes the idea of network representations of protein structures by expanding it to protein interactions. This approach is based on regularization of residue-resolved NMR relaxation times and chemical shift data and subsequent construction of an adjacency matrix that represents the underlying protein interaction as a graph or network. The network nodes represent protein residues. Two nodes are connected if two residues are functionally correlated during the protein interaction event. The analysis of the resulting network enables the quantification of the importance of each amino acid of a protein for its interactions. Furthermore, the determination of the pattern of correlations between residues yields insights into the functional architecture of an interaction. This is of special interest for intrinsically disordered proteins, since the structural (three-dimensional) architecture of these proteins and their complexes is difficult to determine. The power of the proposed methodology is demonstrated at the example of the interaction between the intrinsically disordered protein osteopontin and its natural ligand heparin. © 2016 The Protein Society.

Hierarchical graphs for rule-based modeling of biochemical systems

PubMed Central

2011-01-01

Background In rule-based modeling, graphs are used to represent molecules: a colored vertex represents a component of a molecule, a vertex attribute represents the internal state of a component, and an edge represents a bond between components. Components of a molecule share the same color. Furthermore, graph-rewriting rules are used to represent molecular interactions. A rule that specifies addition (removal) of an edge represents a class of association (dissociation) reactions, and a rule that specifies a change of a vertex attribute represents a class of reactions that affect the internal state of a molecular component. A set of rules comprises an executable model that can be used to determine, through various means, the system-level dynamics of molecular interactions in a biochemical system. Results For purposes of model annotation, we propose the use of hierarchical graphs to represent structural relationships among components and subcomponents of molecules. We illustrate how hierarchical graphs can be used to naturally document the structural organization of the functional components and subcomponents of two proteins: the protein tyrosine kinase Lck and the T cell receptor (TCR) complex. We also show that computational methods developed for regular graphs can be applied to hierarchical graphs. In particular, we describe a generalization of Nauty, a graph isomorphism and canonical labeling algorithm. The generalized version of the Nauty procedure, which we call HNauty, can be used to assign canonical labels to hierarchical graphs or more generally to graphs with multiple edge types. The difference between the Nauty and HNauty procedures is minor, but for completeness, we provide an explanation of the entire HNauty algorithm. Conclusions Hierarchical graphs provide more intuitive formal representations of proteins and other structured molecules with multiple functional components than do the regular graphs of current languages for specifying rule-based models, such as the BioNetGen language (BNGL). Thus, the proposed use of hierarchical graphs should promote clarity and better understanding of rule-based models. PMID:21288338

Function plot response: A scalable system for teaching kinematics graphs

NASA Astrophysics Data System (ADS)

Laverty, James; Kortemeyer, Gerd

2012-08-01

Understanding and interpreting graphs are essential skills in all sciences. While students are mostly proficient in plotting given functions and reading values off graphs, they frequently lack the ability to construct and interpret graphs in a meaningful way. Students can use graphs as representations of value pairs, but often fail to interpret them as the representation of functions, and mostly fail to use them as representations of physical reality. Working with graphs in classroom settings has been shown to improve student abilities with graphs, particularly when the students can interact with them. We introduce a novel problem type in an online homework system, which requires students to construct the graphs themselves in free form, and requires no hand-grading by instructors. Initial experiences using the new problem type in an introductory physics course are reported.

Revealing Long-Range Interconnected Hubs in Human Chromatin Interaction Data Using Graph Theory

NASA Astrophysics Data System (ADS)

Boulos, R. E.; Arneodo, A.; Jensen, P.; Audit, B.

2013-09-01

We use graph theory to analyze chromatin interaction (Hi-C) data in the human genome. We show that a key functional feature of the genome—“master” replication origins—corresponds to DNA loci of maximal network centrality. These loci form a set of interconnected hubs both within chromosomes and between different chromosomes. Our results open the way to a fruitful use of graph theory concepts to decipher DNA structural organization in relation to genome functions such as replication and transcription. This quantitative information should prove useful to discriminate between possible polymer models of nuclear organization.

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.

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.

Scale Construction for Graphing: An Investigation of Students' Resources

ERIC Educational Resources Information Center

Delgado, Cesar; Lucero, Margaret M.

2015-01-01

Graphing is a fundamental part of the scientific process. Scales are key but little-studied components of graphs. Adopting a resources-based framework of cognitive structure, we identify the potential intuitive resources that six undergraduates of diverse majors and years at a public US research university activated when constructing scales, and…

Copying Helps Novice Learners Build Orthographic Knowledge: Methods for Teaching Devanagari Akshara

ERIC Educational Resources Information Center

Bhide, Adeetee

2018-01-01

Hindi graphs, called akshara, are difficult to learn because of their visual complexity and large set of graphs. Akshara containing multiple consonants (complex akshara) are particularly difficult. In Hindi, complex akshara are formed by fusing individual consonantal graphs. Some complex akshara look similar to their component parts (transparent),…

Flexibility in data interpretation: effects of representational format.

PubMed

Braithwaite, David W; Goldstone, Robert L

2013-01-01

Graphs and tables differentially support performance on specific tasks. For tasks requiring reading off single data points, tables are as good as or better than graphs, while for tasks involving relationships among data points, graphs often yield better performance. However, the degree to which graphs and tables support flexibility across a range of tasks is not well-understood. In two experiments, participants detected main and interaction effects in line graphs and tables of bivariate data. Graphs led to more efficient performance, but also lower flexibility, as indicated by a larger discrepancy in performance across tasks. In particular, detection of main effects of variables represented in the graph legend was facilitated relative to detection of main effects of variables represented in the x-axis. Graphs may be a preferable representational format when the desired task or analytical perspective is known in advance, but may also induce greater interpretive bias than tables, necessitating greater care in their use and design.

Interactive Multiple-Representation Editing of Physically-based 3D Animation

DTIC Science & Technology

1994-05-29

view similar to that of FrameMaker [46], but with a stronger model of structured editing, and a language window, which displays a formal description of...used. This is partly a result of the power of a good direct manipulation editor { most users of good editors like FrameMaker don’t seem to miss having a...re nement. In SIG- GRAPH, pages 205{212, August 1988. [46] Frame Technology Inc. Using FrameMaker , 1990. [47] Bjorn N. Freeman-Benson and John Maloney

The PANTHER User Experience

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

Coram, Jamie L.; Morrow, James D.; Perkins, David Nikolaus

2015-09-01

This document describes the PANTHER R&D Application, a proof-of-concept user interface application developed under the PANTHER Grand Challenge LDRD. The purpose of the application is to explore interaction models for graph analytics, drive algorithmic improvements from an end-user point of view, and support demonstration of PANTHER technologies to potential customers. The R&D Application implements a graph-centric interaction model that exposes analysts to the algorithms contained within the GeoGraphy graph analytics library. Users define geospatial-temporal semantic graph queries by constructing search templates based on nodes, edges, and the constraints among them. Users then analyze the results of the queries using bothmore » geo-spatial and temporal visualizations. Development of this application has made user experience an explicit driver for project and algorithmic level decisions that will affect how analysts one day make use of PANTHER technologies.« less

Global dynamics for switching systems and their extensions by linear differential equations

NASA Astrophysics Data System (ADS)

Huttinga, Zane; Cummins, Bree; Gedeon, Tomáš; Mischaikow, Konstantin

2018-03-01

Switching systems use piecewise constant nonlinearities to model gene regulatory networks. This choice provides advantages in the analysis of behavior and allows the global description of dynamics in terms of Morse graphs associated to nodes of a parameter graph. The parameter graph captures spatial characteristics of a decomposition of parameter space into domains with identical Morse graphs. However, there are many cellular processes that do not exhibit threshold-like behavior and thus are not well described by a switching system. We consider a class of extensions of switching systems formed by a mixture of switching interactions and chains of variables governed by linear differential equations. We show that the parameter graphs associated to the switching system and any of its extensions are identical. For each parameter graph node, there is an order-preserving map from the Morse graph of the switching system to the Morse graph of any of its extensions. We provide counterexamples that show why possible stronger relationships between the Morse graphs are not valid.

Global dynamics for switching systems and their extensions by linear differential equations.

PubMed

Huttinga, Zane; Cummins, Bree; Gedeon, Tomáš; Mischaikow, Konstantin

2018-03-15

Switching systems use piecewise constant nonlinearities to model gene regulatory networks. This choice provides advantages in the analysis of behavior and allows the global description of dynamics in terms of Morse graphs associated to nodes of a parameter graph. The parameter graph captures spatial characteristics of a decomposition of parameter space into domains with identical Morse graphs. However, there are many cellular processes that do not exhibit threshold-like behavior and thus are not well described by a switching system. We consider a class of extensions of switching systems formed by a mixture of switching interactions and chains of variables governed by linear differential equations. We show that the parameter graphs associated to the switching system and any of its extensions are identical. For each parameter graph node, there is an order-preserving map from the Morse graph of the switching system to the Morse graph of any of its extensions. We provide counterexamples that show why possible stronger relationships between the Morse graphs are not valid.

Process and representation in graphical displays

NASA Technical Reports Server (NTRS)

Gillan, Douglas J.; Lewis, Robert; Rudisill, Marianne

1993-01-01

Our initial model of graphic comprehension has focused on statistical graphs. Like other models of human-computer interaction, models of graphical comprehension can be used by human-computer interface designers and developers to create interfaces that present information in an efficient and usable manner. Our investigation of graph comprehension addresses two primary questions: how do people represent the information contained in a data graph?; and how do they process information from the graph? The topics of focus for graphic representation concern the features into which people decompose a graph and the representations of the graph in memory. The issue of processing can be further analyzed as two questions: what overall processing strategies do people use?; and what are the specific processing skills required?

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.

Fractal dimensions of graph of Weierstrass-type function and local Hölder exponent spectra

NASA Astrophysics Data System (ADS)

Otani, Atsuya

2018-01-01

We study several fractal properties of the Weierstrass-type function where τ :[0, 1)\\to[0, 1) is a cookie cutter map with possibly fractal repeller, and λ and g are functions with proper regularity. In the first part, we determine the box dimension of the graph of W and Hausdorff dimension of its randomised version. In the second part, the Hausdorff spectrum of the local Hölder exponent is characterised in terms of thermodynamic formalism. Furthermore, in the randomised case, a novel formula for the lifted Hausdorff spectrum on the graph is provided.

Automatic determination of fault effects on aircraft functionality

NASA Technical Reports Server (NTRS)

Feyock, Stefan

1989-01-01

The problem of determining the behavior of physical systems subsequent to the occurrence of malfunctions is discussed. It is established that while it was reasonable to assume that the most important fault behavior modes of primitive components and simple subsystems could be known and predicted, interactions within composite systems reached levels of complexity that precluded the use of traditional rule-based expert system techniques. Reasoning from first principles, i.e., on the basis of causal models of the physical system, was required. The first question that arises is, of course, how the causal information required for such reasoning should be represented. The bond graphs presented here occupy a position intermediate between qualitative and quantitative models, allowing the automatic derivation of Kuipers-like qualitative constraint models as well as state equations. Their most salient feature, however, is that entities corresponding to components and interactions in the physical system are explicitly represented in the bond graph model, thus permitting systematic model updates to reflect malfunctions. Researchers show how this is done, as well as presenting a number of techniques for obtaining qualitative information from the state equations derivable from bond graph models. One insight is the fact that one of the most important advantages of the bond graph ontology is the highly systematic approach to model construction it imposes on the modeler, who is forced to classify the relevant physical entities into a small number of categories, and to look for two highly specific types of interactions among them. The systematic nature of bond graph model construction facilitates the process to the point where the guidelines are sufficiently specific to be followed by modelers who are not domain experts. As a result, models of a given system constructed by different modelers will have extensive similarities. Researchers conclude by pointing out that the ease of updating bond graph models to reflect malfunctions is a manifestation of the systematic nature of bond graph construction, and the regularity of the relationship between bond graph models and physical reality.

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

Cytoscape.js: a graph theory library for visualisation and analysis.

PubMed

Franz, Max; Lopes, Christian T; Huck, Gerardo; Dong, Yue; Sumer, Onur; Bader, Gary D

2016-01-15

Cytoscape.js is an open-source JavaScript-based graph library. Its most common use case is as a visualization software component, so it can be used to render interactive graphs in a web browser. It also can be used in a headless manner, useful for graph operations on a server, such as Node.js. Cytoscape.js is implemented in JavaScript. Documentation, downloads and source code are available at http://js.cytoscape.org. gary.bader@utoronto.ca. © The Author 2015. Published by Oxford University Press.

Interactive graphics for the Macintosh: software review of FlexiGraphs.

PubMed

Antonak, R F

1990-01-01

While this product is clearly unique, its usefulness to individuals outside small business environments is somewhat limited. FlexiGraphs is, however, a reasonable first attempt to design a microcomputer software package that controls data through interactive editing within a graph. Although the graphics capabilities of mainframe programs such as MINITAB (Ryan, Joiner, & Ryan, 1981) and the graphic manipulations available through exploratory data analysis (e.g., Velleman & Hoaglin, 1981) will not be surpassed anytime soon by this program, a researcher may want to add this program to a software library containing other Macintosh statistics, drawing, and graphics programs if only to obtain the easy-to-obtain curve fitting and line smoothing options. I welcome the opportunity to review the enhanced "scientific" version of FlexiGraphs that the author of the program indicates is currently under development. An MS-DOS version of the program should be available within the year.

An approach to multiscale modelling with graph grammars.

PubMed

Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

2014-09-01

Functional-structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models.

A cultural study of a science classroom and graphing calculator-based technology

NASA Astrophysics Data System (ADS)

Casey, Dennis Alan

Social, political, and technological events of the past two decades have had considerable bearing on science education. While sociological studies of scientists at work have seriously questioned traditional histories of science, national and state educational systemic reform initiatives have been enacted, stressing standards and accountability. Recently, powerful instructional technologies have become part of the landscape of the classroom. One example, graphing calculator-based technology, has found its way from commercial and domestic applications into the pedagogy of science and math education. The purpose of this study was to investigate the culture of an "alternative" science classroom and how it functions with graphing calculator-based technology. Using ethnographic methods, a case study of one secondary, team-taught, Environmental/Physical Science (EPS) classroom was conducted. Nearly half of the 23 students were identified as students with special education needs. Over a four-month period, field data was gathered from written observations, videotaped interactions, audio taped interviews, and document analyses to determine how technology was used and what meaning it had for the participants. Analysis indicated that the technology helped to keep students from getting frustrated with handling data and graphs. In a relatively short period of time, students were able to gather data, produce graphs, and to use inscriptions in meaningful classroom discussions. In addition, teachers used the technology as a means to involve and motivate students to want to learn science. By employing pedagogical skills and by utilizing a technology that might not otherwise be readily available to these students, an environment of appreciation, trust, and respect was fostered. Further, the use of technology by these teachers served to expand students' social capital---the benefits that come from an individual's social contacts, social skills, and social resources.

An approach to multiscale modelling with graph grammars

PubMed Central

Ong, Yongzhi; Streit, Katarína; Henke, Michael; Kurth, Winfried

2014-01-01

Background and Aims Functional–structural plant models (FSPMs) simulate biological processes at different spatial scales. Methods exist for multiscale data representation and modification, but the advantages of using multiple scales in the dynamic aspects of FSPMs remain unclear. Results from multiscale models in various other areas of science that share fundamental modelling issues with FSPMs suggest that potential advantages do exist, and this study therefore aims to introduce an approach to multiscale modelling in FSPMs. Methods A three-part graph data structure and grammar is revisited, and presented with a conceptual framework for multiscale modelling. The framework is used for identifying roles, categorizing and describing scale-to-scale interactions, thus allowing alternative approaches to model development as opposed to correlation-based modelling at a single scale. Reverse information flow (from macro- to micro-scale) is catered for in the framework. The methods are implemented within the programming language XL. Key Results Three example models are implemented using the proposed multiscale graph model and framework. The first illustrates the fundamental usage of the graph data structure and grammar, the second uses probabilistic modelling for organs at the fine scale in order to derive crown growth, and the third combines multiscale plant topology with ozone trends and metabolic network simulations in order to model juvenile beech stands under exposure to a toxic trace gas. Conclusions The graph data structure supports data representation and grammar operations at multiple scales. The results demonstrate that multiscale modelling is a viable method in FSPM and an alternative to correlation-based modelling. Advantages and disadvantages of multiscale modelling are illustrated by comparisons with single-scale implementations, leading to motivations for further research in sensitivity analysis and run-time efficiency for these models. PMID:25134929

Path similarity skeleton graph matching.

PubMed

Bai, Xiang; Latecki, Longin Jan

2008-07-01

This paper presents a novel framework to for shape recognition based on object silhouettes. The main idea is to match skeleton graphs by comparing the shortest paths between skeleton endpoints. In contrast to typical tree or graph matching methods, we completely ignore the topological graph structure. Our approach is motivated by the fact that visually similar skeleton graphs may have completely different topological structures. The proposed comparison of shortest paths between endpoints of skeleton graphs yields correct matching results in such cases. The skeletons are pruned by contour partitioning with Discrete Curve Evolution, which implies that the endpoints of skeleton branches correspond to visual parts of the objects. The experimental results demonstrate that our method is able to produce correct results in the presence of articulations, stretching, and occlusion.

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

Flexibility in data interpretation: effects of representational format

PubMed Central

Braithwaite, David W.; Goldstone, Robert L.

2013-01-01

Graphs and tables differentially support performance on specific tasks. For tasks requiring reading off single data points, tables are as good as or better than graphs, while for tasks involving relationships among data points, graphs often yield better performance. However, the degree to which graphs and tables support flexibility across a range of tasks is not well-understood. In two experiments, participants detected main and interaction effects in line graphs and tables of bivariate data. Graphs led to more efficient performance, but also lower flexibility, as indicated by a larger discrepancy in performance across tasks. In particular, detection of main effects of variables represented in the graph legend was facilitated relative to detection of main effects of variables represented in the x-axis. Graphs may be a preferable representational format when the desired task or analytical perspective is known in advance, but may also induce greater interpretive bias than tables, necessitating greater care in their use and design. PMID:24427145

Graphical Understanding of Simple Feedback Systems.

ERIC Educational Resources Information Center

Janvier, Claude; Garancon, Maurice

1989-01-01

Shows that graphs can reveal much about feedback systems that formula conceal, especially as microcomputers can provide complex graphs presented as animations and allow students to interact easily with them. Describes feedback systems, evolution of the system, and phase diagram. (YP)

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

Hierarchical graphs for better annotations of rule-based models of biochemical systems

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

Hu, Bin; Hlavacek, William

2009-01-01

In the graph-based formalism of the BioNetGen language (BNGL), graphs are used to represent molecules, with a colored vertex representing a component of a molecule, a vertex label representing the internal state of a component, and an edge representing a bond between components. Components of a molecule share the same color. Furthermore, graph-rewriting rules are used to represent molecular interactions, with a rule that specifies addition (removal) of an edge representing a class of association (dissociation) reactions and with a rule that specifies a change of vertex label representing a class of reactions that affect the internal state of amore » molecular component. A set of rules comprises a mathematical/computational model that can be used to determine, through various means, the system-level dynamics of molecular interactions in a biochemical system. Here, for purposes of model annotation, we propose an extension of BNGL that involves the use of hierarchical graphs to represent (1) relationships among components and subcomponents of molecules and (2) relationships among classes of reactions defined by rules. We illustrate how hierarchical graphs can be used to naturally document the structural organization of the functional components and subcomponents of two proteins: the protein tyrosine kinase Lck and the T cell receptor (TCR)/CD3 complex. Likewise, we illustrate how hierarchical graphs can be used to document the similarity of two related rules for kinase-catalyzed phosphorylation of a protein substrate. We also demonstrate how a hierarchical graph representing a protein can be encoded in an XML-based format.« less

The Full Ward-Takahashi Identity for Colored Tensor Models

NASA Astrophysics Data System (ADS)

Pérez-Sánchez, Carlos I.

2018-03-01

Colored tensor models (CTM) is a random geometrical approach to quantum gravity. We scrutinize the structure of the connected correlation functions of general CTM-interactions and organize them by boundaries of Feynman graphs. For rank- D interactions including, but not restricted to, all melonic φ^4 -vertices—to wit, solely those quartic vertices that can lead to dominant spherical contributions in the large- N expansion—the aforementioned boundary graphs are shown to be precisely all (possibly disconnected) vertex-bipartite regularly edge- D-colored graphs. The concept of CTM-compatible boundary-graph automorphism is introduced and an auxiliary graph calculus is developed. With the aid of these constructs, certain U (∞)-invariance of the path integral measure is fully exploited in order to derive a strong Ward-Takahashi Identity for CTMs with a symmetry-breaking kinetic term. For the rank-3 φ^4 -theory, we get the exact integral-like equation for the 2-point function. Similarly, exact equations for higher multipoint functions can be readily obtained departing from this full Ward-Takahashi identity. Our results hold for some Group Field Theories as well. Altogether, our non-perturbative approach trades some graph theoretical methods for analytical ones. We believe that these tools can be extended to tensorial SYK-models.

All-paths graph kernel for protein-protein interaction extraction with evaluation of cross-corpus learning.

PubMed

Airola, Antti; Pyysalo, Sampo; Björne, Jari; Pahikkala, Tapio; Ginter, Filip; Salakoski, Tapio

2008-11-19

Automated extraction of protein-protein interactions (PPI) is an important and widely studied task in biomedical text mining. We propose a graph kernel based approach for this task. In contrast to earlier approaches to PPI extraction, the introduced all-paths graph kernel has the capability to make use of full, general dependency graphs representing the sentence structure. We evaluate the proposed method on five publicly available PPI corpora, providing the most comprehensive evaluation done for a machine learning based PPI-extraction system. We additionally perform a detailed evaluation of the effects of training and testing on different resources, providing insight into the challenges involved in applying a system beyond the data it was trained on. Our method is shown to achieve state-of-the-art performance with respect to comparable evaluations, with 56.4 F-score and 84.8 AUC on the AImed corpus. We show that the graph kernel approach performs on state-of-the-art level in PPI extraction, and note the possible extension to the task of extracting complex interactions. Cross-corpus results provide further insight into how the learning generalizes beyond individual corpora. Further, we identify several pitfalls that can make evaluations of PPI-extraction systems incomparable, or even invalid. These include incorrect cross-validation strategies and problems related to comparing F-score results achieved on different evaluation resources. Recommendations for avoiding these pitfalls are provided.

Graph Drawing Aesthetics-Created by Users, Not Algorithms.

PubMed

Purchase, H C; Pilcher, C; Plimmer, B

2012-01-01

Prior empirical work on layout aesthetics for graph drawing algorithms has concentrated on the interpretation of existing graph drawings. We report on experiments which focus on the creation and layout of graph drawings: participants were asked to draw graphs based on adjacency lists, and to lay them out "nicely." Two interaction methods were used for creating the drawings: a sketch interface which allows for easy, natural hand movements, and a formal point-and-click interface similar to a typical graph editing system. We find, in common with many other studies, that removing edge crossings is the most significant aesthetic, but also discover that aligning nodes and edges to an underlying grid is important. We observe that the aesthetics favored by participants during creation of a graph drawing are often not evident in the final product and that the participants did not make a clear distinction between the processes of creation and layout. Our results suggest that graph drawing systems should integrate automatic layout with the user's manual editing process, and provide facilities to support grid-based graph creation.

Private Graphs - Access Rights on Graphs for Seamless Navigation

NASA Astrophysics Data System (ADS)

Dorner, W.; Hau, F.; Pagany, R.

2016-06-01

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

Flow-graph approach for optical analysis of planar structures.

PubMed

Minkov, D

1994-11-20

The flow-graph approach (FGA) is applied to optical analysis of isotropic stratified planar structures (ISPS's) at inclined light incidence. Conditions for the presence of coherent and noncoherent light interaction within ISPS's are determined. Examples of the use of FGA for calculation of the transmission and the reflection of two-layer ISPS's for different types of light interaction are given. The advantages of the use of FGA for optical analysis of ISPS's are discussed.

Social inertia and diversity in collaboration networks

NASA Astrophysics Data System (ADS)

Ramasco, J. J.

2007-04-01

Random graphs are useful tools to study social interactions. In particular, the use of weighted random graphs allows to handle a high level of information concerning which agents interact and in which degree the interactions take place. Taking advantage of this representation, we recently defined a magnitude, the Social Inertia, that measures the eagerness of agents to keep ties with previous partners. To study this magnitude, we used collaboration networks that are specially appropriate to obtain valid statitical results due to the large size of publically available databases. In this work, I study the Social Inertia in two of these empirical networks, IMDB movie database and condmat. More specifically, I focus on how the Inertia relates to other properties of the graphs, and show that the Inertia provides information on how the weight of neighboring edges correlates. A social interpretation of this effect is also offered.

BioJS DAGViewer: A reusable JavaScript component for displaying directed graphs

PubMed Central

Micklem, Gos

2014-01-01

Summary: The DAGViewer BioJS component is a reusable JavaScript component made available as part of the BioJS project and intended to be used to display graphs of structured data, with a particular emphasis on Directed Acyclic Graphs (DAGs). It enables users to embed representations of graphs of data, such as ontologies or phylogenetic trees, in hyper-text documents (HTML). This component is generic, since it is capable (given the appropriate configuration) of displaying any kind of data that is organised as a graph. The features of this component which are useful for examining and filtering large and complex graphs are described. Availability: http://github.com/alexkalderimis/dag-viewer-biojs; http://github.com/biojs/biojs; http://dx.doi.org/10.5281/zenodo.8303. PMID:24627804

Chemical Applications of Graph Theory: Part I. Fundamentals and Topological Indices.

ERIC Educational Resources Information Center

Hansen, Peter J.; Jurs, Peter C.

1988-01-01

Explores graph theory and use of topological indices to predict boiling points. Lists three indices: Wiener Number, Randic Branching Index and Molecular Connectivity, and Molecular Identification numbers. Warns of inadequacies with stereochemistry. (ML)

Reducing vertices in property graphs

PubMed Central

Pąk, Karol

2018-01-01

Graph databases are constantly growing, and, at the same time, some of their data is the same or similar. Our experience with the management of the existing databases, especially the bigger ones, shows that certain vertices are particularly replicated there numerous times. Eliminating repetitive or even very similar data speeds up the access to database resources. We present a modification of this approach, where similarly we group together vertices of identical properties, but then additionally we join together groups of data that are located in distant parts of a graph. The second part of our approach is non-trivial. We show that the search for a partition of a given graph where each member of the partition has only pairwise distant vertices is NP-hard. We indicate a group of heuristics that try to solve our difficult computational problems and then we apply them to check the the effectiveness of our approach. PMID:29444127

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

Assessment of semantic similarity between proteins using information content and topological properties of the Gene Ontology graph.

PubMed

Dutta, Pritha; Basu, Subhadip; Kundu, Mahantapas

2017-03-31

The semantic similarity between two interacting proteins can be estimated by combining the similarity scores of the GO terms associated with the proteins. Greater number of similar GO annotations between two proteins indicates greater interaction affinity. Existing semantic similarity measures make use of the GO graph structure, the information content of GO terms, or a combination of both. In this paper, we present a hybrid approach which utilizes both the topological features of the GO graph and information contents of the GO terms. More specifically, we 1) consider a fuzzy clustering of the GO graph based on the level of association of the GO terms, 2) estimate the GO term memberships to each cluster center based on the respective shortest path lengths, and 3) assign weightage to GO term pairs on the basis of their dissimilarity with respect to the cluster centers. We test the performance of our semantic similarity measure against seven other previously published similarity measures using benchmark protein-protein interaction datasets of Homo sapiens and Saccharomyces cerevisiae based on sequence similarity, Pfam similarity, area under ROC curve and F1 measure.

The 1/ N Expansion of Tensor Models with Two Symmetric Tensors

NASA Astrophysics Data System (ADS)

Gurau, Razvan

2018-06-01

It is well known that tensor models for a tensor with no symmetry admit a 1/ N expansion dominated by melonic graphs. This result relies crucially on identifying jackets, which are globally defined ribbon graphs embedded in the tensor graph. In contrast, no result of this kind has so far been established for symmetric tensors because global jackets do not exist. In this paper we introduce a new approach to the 1/ N expansion in tensor models adapted to symmetric tensors. In particular we do not use any global structure like the jackets. We prove that, for any rank D, a tensor model with two symmetric tensors and interactions the complete graph K D+1 admits a 1/ N expansion dominated by melonic graphs.

A unified framework for building high performance DVEs

NASA Astrophysics Data System (ADS)

Lei, Kaibin; Ma, Zhixia; Xiong, Hua

2011-10-01

A unified framework for integrating PC cluster based parallel rendering with distributed virtual environments (DVEs) is presented in this paper. While various scene graphs have been proposed in DVEs, it is difficult to enable collaboration of different scene graphs. This paper proposes a technique for non-distributed scene graphs with the capability of object and event distribution. With the increase of graphics data, DVEs require more powerful rendering ability. But general scene graphs are inefficient in parallel rendering. The paper also proposes a technique to connect a DVE and a PC cluster based parallel rendering environment. A distributed multi-player video game is developed to show the interaction of different scene graphs and the parallel rendering performance on a large tiled display wall.

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.

Convergence of spectra of graph-like thin manifolds

NASA Astrophysics Data System (ADS)

Exner, Pavel; Post, Olaf

2005-05-01

We consider a family of compact manifolds which shrinks with respect to an appropriate parameter to a graph. The main result is that the spectrum of the Laplace-Beltrami operator converges to the spectrum of the (differential) Laplacian on the graph with Kirchhoff boundary conditions at the vertices. On the other hand, if the shrinking at the vertex parts of the manifold is sufficiently slower comparing to that of the edge parts, the limiting spectrum corresponds to decoupled edges with Dirichlet boundary conditions at the endpoints. At the borderline between the two regimes we have a third possibility when the limiting spectrum can be described by a nontrivial coupling at the vertices.

A componential model of human interaction with graphs: 1. Linear regression modeling

NASA Technical Reports Server (NTRS)

Gillan, Douglas J.; Lewis, Robert

1994-01-01

Task analyses served as the basis for developing the Mixed Arithmetic-Perceptual (MA-P) model, which proposes (1) that people interacting with common graphs to answer common questions apply a set of component processes-searching for indicators, encoding the value of indicators, performing arithmetic operations on the values, making spatial comparisons among indicators, and repsonding; and (2) that the type of graph and user's task determine the combination and order of the components applied (i.e., the processing steps). Two experiments investigated the prediction that response time will be linearly related to the number of processing steps according to the MA-P model. Subjects used line graphs, scatter plots, and stacked bar graphs to answer comparison questions and questions requiring arithmetic calculations. A one-parameter version of the model (with equal weights for all components) and a two-parameter version (with different weights for arithmetic and nonarithmetic processes) accounted for 76%-85% of individual subjects' variance in response time and 61%-68% of the variance taken across all subjects. The discussion addresses possible modifications in the MA-P model, alternative models, and design implications from the MA-P model.

Graph Theoretic Foundations of Multibody Dynamics Part I: Structural Properties

PubMed Central

Jain, Abhinandan

2011-01-01

This is the first part of two papers that use concepts from graph theory to obtain a deeper understanding of the mathematical foundations of multibody dynamics. The key contribution is the development of a unifying framework that shows that key analytical results and computational algorithms in multibody dynamics are a direct consequence of structural properties and require minimal assumptions about the specific nature of the underlying multibody system. This first part focuses on identifying the abstract graph theoretic structural properties of spatial operator techniques in multibody dynamics. The second part paper exploits these structural properties to develop a broad spectrum of analytical results and computational algorithms. Towards this, we begin with the notion of graph adjacency matrices and generalize it to define block-weighted adjacency (BWA) matrices and their 1-resolvents. Previously developed spatial operators are shown to be special cases of such BWA matrices and their 1-resolvents. These properties are shown to hold broadly for serial and tree topology multibody systems. Specializations of the BWA and 1-resolvent matrices are referred to as spatial kernel operators (SKO) and spatial propagation operators (SPO). These operators and their special properties provide the foundation for the analytical and algorithmic techniques developed in the companion paper. We also use the graph theory concepts to study the topology induced sparsity structure of these operators and the system mass matrix. Similarity transformations of these operators are also studied. While the detailed development is done for the case of rigid-link multibody systems, the extension of these techniques to a broader class of systems (e.g. deformable links) are illustrated. PMID:22102790

Multifractal analysis of multiparticle emission data in the framework of visibility graph and sandbox algorithm

NASA Astrophysics Data System (ADS)

Mali, P.; Manna, S. K.; Mukhopadhyay, A.; Haldar, P. K.; Singh, G.

2018-03-01

Multiparticle emission data in nucleus-nucleus collisions are studied in a graph theoretical approach. The sandbox algorithm used to analyze complex networks is employed to characterize the multifractal properties of the visibility graphs associated with the pseudorapidity distribution of charged particles produced in high-energy heavy-ion collisions. Experimental data on 28Si+Ag/Br interaction at laboratory energy Elab = 14 . 5 A GeV, and 16O+Ag/Br and 32S+Ag/Br interactions both at Elab = 200 A GeV, are used in this analysis. We observe a scale free nature of the degree distributions of the visibility and horizontal visibility graphs associated with the event-wise pseudorapidity distributions. Equivalent event samples simulated by ultra-relativistic quantum molecular dynamics, produce degree distributions that are almost identical to the respective experiment. However, the multifractal variables obtained by using sandbox algorithm for the experiment to some extent differ from the respective simulated results.

Graph Curvature for Differentiating Cancer Networks

PubMed Central

Sandhu, Romeil; Georgiou, Tryphon; Reznik, Ed; Zhu, Liangjia; Kolesov, Ivan; Senbabaoglu, Yasin; Tannenbaum, Allen

2015-01-01

Cellular interactions can be modeled as complex dynamical systems represented by weighted graphs. The functionality of such networks, including measures of robustness, reliability, performance, and efficiency, are intrinsically tied to the topology and geometry of the underlying graph. Utilizing recently proposed geometric notions of curvature on weighted graphs, we investigate the features of gene co-expression networks derived from large-scale genomic studies of cancer. We find that the curvature of these networks reliably distinguishes between cancer and normal samples, with cancer networks exhibiting higher curvature than their normal counterparts. We establish a quantitative relationship between our findings and prior investigations of network entropy. Furthermore, we demonstrate how our approach yields additional, non-trivial pair-wise (i.e. gene-gene) interactions which may be disrupted in cancer samples. The mathematical formulation of our approach yields an exact solution to calculating pair-wise changes in curvature which was computationally infeasible using prior methods. As such, our findings lay the foundation for an analytical approach to studying complex biological networks. PMID:26169480

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.

Graphs for information security control in software defined networks

NASA Astrophysics Data System (ADS)

Grusho, Alexander A.; Abaev, Pavel O.; Shorgin, Sergey Ya.; Timonina, Elena E.

2017-07-01

Information security control in software defined networks (SDN) is connected with execution of the security policy rules regulating information accesses and protection against distribution of the malicious code and harmful influences. The paper offers a representation of a security policy in the form of hierarchical structure which in case of distribution of resources for the solution of tasks defines graphs of admissible interactions in a networks. These graphs define commutation tables of switches via the SDN controller.

VIGOR: Interactive Visual Exploration of Graph Query Results.

PubMed

Pienta, Robert; Hohman, Fred; Endert, Alex; Tamersoy, Acar; Roundy, Kevin; Gates, Chris; Navathe, Shamkant; Chau, Duen Horng

2018-01-01

Finding patterns in graphs has become a vital challenge in many domains from biological systems, network security, to finance (e.g., finding money laundering rings of bankers and business owners). While there is significant interest in graph databases and querying techniques, less research has focused on helping analysts make sense of underlying patterns within a group of subgraph results. Visualizing graph query results is challenging, requiring effective summarization of a large number of subgraphs, each having potentially shared node-values, rich node features, and flexible structure across queries. We present VIGOR, a novel interactive visual analytics system, for exploring and making sense of query results. VIGOR uses multiple coordinated views, leveraging different data representations and organizations to streamline analysts sensemaking process. VIGOR contributes: (1) an exemplar-based interaction technique, where an analyst starts with a specific result and relaxes constraints to find other similar results or starts with only the structure (i.e., without node value constraints), and adds constraints to narrow in on specific results; and (2) a novel feature-aware subgraph result summarization. Through a collaboration with Symantec, we demonstrate how VIGOR helps tackle real-world problems through the discovery of security blindspots in a cybersecurity dataset with over 11,000 incidents. We also evaluate VIGOR with a within-subjects study, demonstrating VIGOR's ease of use over a leading graph database management system, and its ability to help analysts understand their results at higher speed and make fewer errors.

Output-Sensitive Construction of Reeb Graphs.

PubMed

Doraiswamy, H; Natarajan, V

2012-01-01

The Reeb graph of a scalar function represents the evolution of the topology of its level sets. This paper describes a near-optimal output-sensitive algorithm for computing the Reeb graph of scalar functions defined over manifolds or non-manifolds in any dimension. Key to the simplicity and efficiency of the algorithm is an alternate definition of the Reeb graph that considers equivalence classes of level sets instead of individual level sets. The algorithm works in two steps. The first step locates all critical points of the function in the domain. Critical points correspond to nodes in the Reeb graph. Arcs connecting the nodes are computed in the second step by a simple search procedure that works on a small subset of the domain that corresponds to a pair of critical points. The paper also describes a scheme for controlled simplification of the Reeb graph and two different graph layout schemes that help in the effective presentation of Reeb graphs for visual analysis of scalar fields. Finally, the Reeb graph is employed in four different applications-surface segmentation, spatially-aware transfer function design, visualization of interval volumes, and interactive exploration of time-varying data.

Massive Scale Cyber Traffic Analysis: A Driver for Graph Database Research

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

Joslyn, Cliff A.; Choudhury, S.; Haglin, David J.

2013-06-19

We describe the significance and prominence of network traffic analysis (TA) as a graph- and network-theoretical domain for advancing research in graph database systems. TA involves observing and analyzing the connections between clients, servers, hosts, and actors within IP networks, both at particular times and as extended over times. Towards that end, NetFlow (or more generically, IPFLOW) data are available from routers and servers which summarize coherent groups of IP packets flowing through the network. IPFLOW databases are routinely interrogated statistically and visualized for suspicious patterns. But the ability to cast IPFLOW data as a massive graph and query itmore » interactively, in order to e.g.\\ identify connectivity patterns, is less well advanced, due to a number of factors including scaling, and their hybrid nature combining graph connectivity and quantitative attributes. In this paper, we outline requirements and opportunities for graph-structured IPFLOW analytics based on our experience with real IPFLOW databases. Specifically, we describe real use cases from the security domain, cast them as graph patterns, show how to express them in two graph-oriented query languages SPARQL and Datalog, and use these examples to motivate a new class of "hybrid" graph-relational systems.« less

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.

A Ranking Approach on Large-Scale Graph With Multidimensional Heterogeneous Information.

PubMed

Wei, Wei; Gao, Bin; Liu, Tie-Yan; Wang, Taifeng; Li, Guohui; Li, Hang

2016-04-01

Graph-based ranking has been extensively studied and frequently applied in many applications, such as webpage ranking. It aims at mining potentially valuable information from the raw graph-structured data. Recently, with the proliferation of rich heterogeneous information (e.g., node/edge features and prior knowledge) available in many real-world graphs, how to effectively and efficiently leverage all information to improve the ranking performance becomes a new challenging problem. Previous methods only utilize part of such information and attempt to rank graph nodes according to link-based methods, of which the ranking performances are severely affected by several well-known issues, e.g., over-fitting or high computational complexity, especially when the scale of graph is very large. In this paper, we address the large-scale graph-based ranking problem and focus on how to effectively exploit rich heterogeneous information of the graph to improve the ranking performance. Specifically, we propose an innovative and effective semi-supervised PageRank (SSP) approach to parameterize the derived information within a unified semi-supervised learning framework (SSLF-GR), then simultaneously optimize the parameters and the ranking scores of graph nodes. Experiments on the real-world large-scale graphs demonstrate that our method significantly outperforms the algorithms that consider such graph information only partially.

A new holistic approach to vulnerability assessment to natural hazards of socio-economic systems by means of Graph Theory

NASA Astrophysics Data System (ADS)

Arosio, Marcello; Martina, Mario L. V.

2017-04-01

In the last years, the relations and interactions between multi-hazards, vulnerability, exposure and resilience spheres are assuming more and more attention and the scientific community recognized that they are very dynamic, complex and interconnected. The traditional approaches define risk as the potential economic, social and environmental consequences due to a hazardous phenomenon in a specific period. Although there have been major improvements in recent years, there are still some limitation in term of a holistic approach that is able to include the emergent value hidden in the relation and interaction between the different spheres. Furthermore, the emergent behaviour of a society makes the collective risk greater than the sum of the parts and this requires a holistic, systematic and integrated approach. For this reason, it is important to consider the connections between elements to assess properly the vulnerability of systems. In a system (e.g. road, hospital and ecological network, etc.), or in a System of System (e.g. socio-technical urban service), there are critical elements that, beyond the intrinsic vulnerability, can be characterize by greater or lower vulnerability because of their physical, geographical, cyber or logical connections. To understand the system response to a perturbation, and therefore its resilience, is necessary not only to represent but also to quantify the relative importance of the elements and their interconnections. To this aim, we propose an innovative approach in the field of natural risk assessment based on the properties of graph G=(N,L). A graph consists of two sets N (nodes) and L (links): the nodes represent the single exposed elements (physical, social, environmental, etc.) to a hazard, while the links (or connections) represent the interaction between the elements. This approach encourages the risk assessment to a new prospective: from reductionist to holistic. The final goal is to provide insight in understanding how to quantify integrated collective vulnerability, resilience and risk.

Using graph-based assessments within socratic tutorials to reveal and refine students' analytical thinking about molecular networks.

PubMed

Trujillo, Caleb; Cooper, Melanie M; Klymkowsky, Michael W

2012-01-01

Biological systems, from the molecular to the ecological, involve dynamic interaction networks. To examine student thinking about networks we used graphical responses, since they are easier to evaluate for implied, but unarticulated assumptions. Senior college level molecular biology students were presented with simple molecular level scenarios; surprisingly, most students failed to articulate the basic assumptions needed to generate reasonable graphical representations; their graphs often contradicted their explicit assumptions. We then developed a tiered Socratic tutorial based on leading questions designed to provoke metacognitive reflection. The activity is characterized by leading questions (prompts) designed to provoke meta-cognitive reflection. When applied in a group or individual setting, there was clear improvement in targeted areas. Our results highlight the promise of using graphical responses and Socratic prompts in a tutorial context as both a formative assessment for students and an informative feedback system for instructors, in part because graphical responses are relatively easy to evaluate for implied, but unarticulated assumptions. Copyright © 2011 Wiley Periodicals, Inc.

MIMO: an efficient tool for molecular interaction maps overlap

PubMed Central

2013-01-01

Background Molecular pathways represent an ensemble of interactions occurring among molecules within the cell and between cells. The identification of similarities between molecular pathways across organisms and functions has a critical role in understanding complex biological processes. For the inference of such novel information, the comparison of molecular pathways requires to account for imperfect matches (flexibility) and to efficiently handle complex network topologies. To date, these characteristics are only partially available in tools designed to compare molecular interaction maps. Results Our approach MIMO (Molecular Interaction Maps Overlap) addresses the first problem by allowing the introduction of gaps and mismatches between query and template pathways and permits -when necessary- supervised queries incorporating a priori biological information. It then addresses the second issue by relying directly on the rich graph topology described in the Systems Biology Markup Language (SBML) standard, and uses multidigraphs to efficiently handle multiple queries on biological graph databases. The algorithm has been here successfully used to highlight the contact point between various human pathways in the Reactome database. Conclusions MIMO offers a flexible and efficient graph-matching tool for comparing complex biological pathways. PMID:23672344

A simplistic model for identifying prominent web users in directed multiplex social networks: a case study using Twitter networks

NASA Astrophysics Data System (ADS)

Loucif, Hemza; Boubetra, Abdelhak; Akrouf, Samir

2016-10-01

This paper aims to describe a new simplistic model dedicated to gauge the online influence of Twitter users based on a mixture of structural and interactional features. The model is an additive mathematical formulation which involves two main parts. The first part serves to measure the influence of the Twitter user on just his neighbourhood covering his followers. However, the second part evaluates the potential influence of the Twitter user beyond the circle of his followers. Particularly, it measures the likelihood that the tweets of the Twitter user will spread further within the social graph through the retweeting process. The model is tested on a data set involving four kinds of real-world egocentric networks. The empirical results reveal that an active ordinary user is more prominent than a non-active celebrity one. A simple comparison is conducted between the proposed model and two existing simplistic approaches. The results show that our model generates the most realistic influence scores due to its dealing with both explicit (structural and interactional) and implicit features.

GenoLink: a graph-based querying and browsing system for investigating the function of genes and proteins.

PubMed

Durand, Patrick; Labarre, Laurent; Meil, Alain; Divo, Jean-Louis; Vandenbrouck, Yves; Viari, Alain; Wojcik, Jérôme

2006-01-17

A large variety of biological data can be represented by graphs. These graphs can be constructed from heterogeneous data coming from genomic and post-genomic technologies, but there is still need for tools aiming at exploring and analysing such graphs. This paper describes GenoLink, a software platform for the graphical querying and exploration of graphs. GenoLink provides a generic framework for representing and querying data graphs. This framework provides a graph data structure, a graph query engine, allowing to retrieve sub-graphs from the entire data graph, and several graphical interfaces to express such queries and to further explore their results. A query consists in a graph pattern with constraints attached to the vertices and edges. A query result is the set of all sub-graphs of the entire data graph that are isomorphic to the pattern and satisfy the constraints. The graph data structure does not rely upon any particular data model but can dynamically accommodate for any user-supplied data model. However, for genomic and post-genomic applications, we provide a default data model and several parsers for the most popular data sources. GenoLink does not require any programming skill since all operations on graphs and the analysis of the results can be carried out graphically through several dedicated graphical interfaces. GenoLink is a generic and interactive tool allowing biologists to graphically explore various sources of information. GenoLink is distributed either as a standalone application or as a component of the Genostar/Iogma platform. Both distributions are free for academic research and teaching purposes and can be requested at academy@genostar.com. A commercial licence form can be obtained for profit company at info@genostar.com. See also http://www.genostar.org.

GenoLink: a graph-based querying and browsing system for investigating the function of genes and proteins

PubMed Central

Durand, Patrick; Labarre, Laurent; Meil, Alain; Divo1, Jean-Louis; Vandenbrouck, Yves; Viari, Alain; Wojcik, Jérôme

2006-01-01

Background A large variety of biological data can be represented by graphs. These graphs can be constructed from heterogeneous data coming from genomic and post-genomic technologies, but there is still need for tools aiming at exploring and analysing such graphs. This paper describes GenoLink, a software platform for the graphical querying and exploration of graphs. Results GenoLink provides a generic framework for representing and querying data graphs. This framework provides a graph data structure, a graph query engine, allowing to retrieve sub-graphs from the entire data graph, and several graphical interfaces to express such queries and to further explore their results. A query consists in a graph pattern with constraints attached to the vertices and edges. A query result is the set of all sub-graphs of the entire data graph that are isomorphic to the pattern and satisfy the constraints. The graph data structure does not rely upon any particular data model but can dynamically accommodate for any user-supplied data model. However, for genomic and post-genomic applications, we provide a default data model and several parsers for the most popular data sources. GenoLink does not require any programming skill since all operations on graphs and the analysis of the results can be carried out graphically through several dedicated graphical interfaces. Conclusion GenoLink is a generic and interactive tool allowing biologists to graphically explore various sources of information. GenoLink is distributed either as a standalone application or as a component of the Genostar/Iogma platform. Both distributions are free for academic research and teaching purposes and can be requested at academy@genostar.com. A commercial licence form can be obtained for profit company at info@genostar.com. See also . PMID:16417636

Solving the scalability issue in quantum-based refinement: Q|R#1.

PubMed

Zheng, Min; Moriarty, Nigel W; Xu, Yanting; Reimers, Jeffrey R; Afonine, Pavel V; Waller, Mark P

2017-12-01

Accurately refining biomacromolecules using a quantum-chemical method is challenging because the cost of a quantum-chemical calculation scales approximately as n m , where n is the number of atoms and m (≥3) is based on the quantum method of choice. This fundamental problem means that quantum-chemical calculations become intractable when the size of the system requires more computational resources than are available. In the development of the software package called Q|R, this issue is referred to as Q|R#1. A divide-and-conquer approach has been developed that fragments the atomic model into small manageable pieces in order to solve Q|R#1. Firstly, the atomic model of a crystal structure is analyzed to detect noncovalent interactions between residues, and the results of the analysis are represented as an interaction graph. Secondly, a graph-clustering algorithm is used to partition the interaction graph into a set of clusters in such a way as to minimize disruption to the noncovalent interaction network. Thirdly, the environment surrounding each individual cluster is analyzed and any residue that is interacting with a particular cluster is assigned to the buffer region of that particular cluster. A fragment is defined as a cluster plus its buffer region. The gradients for all atoms from each of the fragments are computed, and only the gradients from each cluster are combined to create the total gradients. A quantum-based refinement is carried out using the total gradients as chemical restraints. In order to validate this interaction graph-based fragmentation approach in Q|R, the entire atomic model of an amyloid cross-β spine crystal structure (PDB entry 2oNA) was refined.

Comparison of a traditional with a new approach based on Graph Theory to vulnerability assessment to natural hazards: a study case on a socio-economic complex system

NASA Astrophysics Data System (ADS)

Arosio, Marcello; Martina, Mario L. V.

2017-04-01

The emergent behaviour of the contemporary complex, socio-technical and interconnected society makes the collective risk greater than the sum of the parts and this requires a holistic, systematic and integrated approach. Although there have been major improvements in recent years, there are still some limitation in term of a holistic approach that is able to include the emergent value hidden in the connections between exposed elements and the interactions between the different spheres of the multi-hazards, vulnerability, exposure and resilience. To deal with these challenges it is necessary to consider the connections between the exposed elements (e.g. populations, schools, hospital, etc.) and to quantify the relative importance of the elements and their interconnections (e.g. the need of injured people to go to hospital or children to school). In a system (e.g. road, hospital and ecological network, etc.), or in a System of System (e.g. socio-technical urban service), there are critical elements that, beyond the intrinsic vulnerability, can be characterized by greater or lower vulnerability because of their physical, geographical, cyber or logical connections. To this aim, we propose in this study a comparative analysis between traditional reductionist approach and a new holistic approach to vulnerability assessment to natural hazards. The analysis considers a study case of a socio-economic complex system through an innovative approach based on the properties of graph G=(N,L). A graph consists of two sets N (nodes) and L (links): the nodes represent the single exposed elements (physical, social, environmental, etc.) to a hazard, while the links (or connections) represent the interaction between the elements. The final goal is to illustrate an application of this innovative approach of integrated collective vulnerability assessment.

User Guide for the Plotting Software for the Los Alamos National Laboratory Nuclear Weapons Analysis Tools Version 2.0

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

Cleland, Timothy James

The Los Alamos National Laboratory Plotting Software for the Nuclear Weapons Analysis Tools is a Java™ application based upon the open source library JFreeChart. The software provides a capability for plotting data on graphs with a rich variety of display options while allowing the viewer interaction via graph manipulation and scaling to best view the data. The graph types include XY plots, Date XY plots, Bar plots and Histogram plots.

Information jet: Handling noisy big data from weakly disconnected network

NASA Astrophysics Data System (ADS)

Aurongzeb, Deeder

Sudden aggregation (information jet) of large amount of data is ubiquitous around connected social networks, driven by sudden interacting and non-interacting events, network security threat attacks, online sales channel etc. Clustering of information jet based on time series analysis and graph theory is not new but little work is done to connect them with particle jet statistics. We show pre-clustering based on context can element soft network or network of information which is critical to minimize time to calculate results from noisy big data. We show difference between, stochastic gradient boosting and time series-graph clustering. For disconnected higher dimensional information jet, we use Kallenberg representation theorem (Kallenberg, 2005, arXiv:1401.1137) to identify and eliminate jet similarities from dense or sparse graph.

Hyperedge bundling: Data, source code, and precautions to modeling-accuracy bias to synchrony estimates.

PubMed

Wang, Sheng H; Lobier, Muriel; Siebenhühner, Felix; Puoliväli, Tuomas; Palva, Satu; Palva, J Matias

2018-06-01

It has not been well documented that MEG/EEG functional connectivity graphs estimated with zero-lag-free interaction metrics are severely confounded by a multitude of spurious interactions (SI), i.e., the false-positive "ghosts" of true interactions [1], [2]. These SI are caused by the multivariate linear mixing between sources, and thus they pose a severe challenge to the validity of connectivity analysis. Due to the complex nature of signal mixing and the SI problem, there is a need to intuitively demonstrate how the SI are discovered and how they can be attenuated using a novel approach that we termed hyperedge bundling. Here we provide a dataset with software with which the readers can perform simulations in order to better understand the theory and the solution to SI. We include the supplementary material of [1] that is not directly relevant to the hyperedge bundling per se but reflects important properties of the MEG source model and the functional connectivity graphs. For example, the gyri of dorsal-lateral cortices are the most accurately modeled areas; the sulci of inferior temporal, frontal and the insula have the least modeling accuracy. Importantly, we found the interaction estimates are heavily biased by the modeling accuracy between regions, which means the estimates cannot be straightforwardly interpreted as the coupling between brain regions. This raise a red flag that the conventional method of thresholding graphs by estimate values is rather suboptimal: because the measured topology of the graph reflects the geometric property of source-model instead of the cortical interactions under investigation.

What Lives Where & Why? Understanding Biodiversity through Geospatial Exploration

ERIC Educational Resources Information Center

Trautmann, Nancy M.; Makinster, James G.; Batek, Michael

2013-01-01

Using an interactive map-based PDF, students learn key concepts related to biodiversity while developing data-analysis and critical-thinking skills. The Bird Island lesson provides students with experience in translating geospatial data into bar graphs, then interpreting these graphs to compare biodiversity across ecoregions on a fictional island.…

Exploratory Visualization of Graphs Based on Community Structure

ERIC Educational Resources Information Center

Liu, Yujie

2013-01-01

Communities, also called clusters or modules, are groups of nodes which probably share common properties and/or play similar roles within a graph. They widely exist in real networks such as biological, social, and information networks. Allowing users to interactively browse and explore the community structure, which is essential for understanding…

Application of Computer Graphics to Graphing in Algebra and Trigonometry. Final Report.

ERIC Educational Resources Information Center

Morris, J. Richard

This project was designed to improve the graphing competency of students in elementary algebra, intermediate algebra, and trigonometry courses at Virginia Commonwealth University. Computer graphics programs were designed using an Apple II Plus computer and implemented using Pascal. The software package is interactive and gives students control…

The bilinear-biquadratic model on the complete graph

NASA Astrophysics Data System (ADS)

Jakab, Dávid; Szirmai, Gergely; Zimborás, Zoltán

2018-03-01

We study the spin-1 bilinear-biquadratic model on the complete graph of N sites, i.e. when each spin is interacting with every other spin with the same strength. Because of its complete permutation invariance, this Hamiltonian can be rewritten as the linear combination of the quadratic Casimir operators of \

Dynamic Displays of Data

ERIC Educational Resources Information Center

Angotti, Robin

2017-01-01

This article describes Gapminder, a dynamic time-series graph that can be found at http://www.gapminder.org. Gapminder was created by a team of developers (Rosling, Ronnlund, and Rosling 2005) to create beautiful, interactive graphs of otherwise lifeless numbers. Their goal is increased use and understanding of statistics and data that…

sc-PDB-Frag: a database of protein-ligand interaction patterns for Bioisosteric replacements.

PubMed

Desaphy, Jérémy; Rognan, Didier

2014-07-28

Bioisosteric replacement plays an important role in medicinal chemistry by keeping the biological activity of a molecule while changing either its core scaffold or substituents, thereby facilitating lead optimization and patenting. Bioisosteres are classically chosen in order to keep the main pharmacophoric moieties of the substructure to replace. However, notably when changing a scaffold, no attention is usually paid as whether all atoms of the reference scaffold are equally important for binding to the desired target. We herewith propose a novel database for bioisosteric replacement (scPDBFrag), capitalizing on our recently published structure-based approach to scaffold hopping, focusing on interaction pattern graphs. Protein-bound ligands are first fragmented and the interaction of the corresponding fragments with their protein environment computed-on-the-fly. Using an in-house developed graph alignment tool, interaction patterns graphs can be compared, aligned, and sorted by decreasing similarity to any reference. In the herein presented sc-PDB-Frag database ( http://bioinfo-pharma.u-strasbg.fr/scPDBFrag ), fragments, interaction patterns, alignments, and pairwise similarity scores have been extracted from the sc-PDB database of 8077 druggable protein-ligand complexes and further stored in a relational database. We herewith present the database, its Web implementation, and procedures for identifying true bioisosteric replacements based on conserved interaction patterns.

Automatic Molecular Design using Evolutionary Techniques

NASA Technical Reports Server (NTRS)

Globus, Al; Lawton, John; Wipke, Todd; Saini, Subhash (Technical Monitor)

1998-01-01

Molecular nanotechnology is the precise, three-dimensional control of materials and devices at the atomic scale. An important part of nanotechnology is the design of molecules for specific purposes. This paper describes early results using genetic software techniques to automatically design molecules under the control of a fitness function. The fitness function must be capable of determining which of two arbitrary molecules is better for a specific task. The software begins by generating a population of random molecules. The population is then evolved towards greater fitness by randomly combining parts of the better individuals to create new molecules. These new molecules then replace some of the worst molecules in the population. The unique aspect of our approach is that we apply genetic crossover to molecules represented by graphs, i.e., sets of atoms and the bonds that connect them. We present evidence suggesting that crossover alone, operating on graphs, can evolve any possible molecule given an appropriate fitness function and a population containing both rings and chains. Prior work evolved strings or trees that were subsequently processed to generate molecular graphs. In principle, genetic graph software should be able to evolve other graph representable systems such as circuits, transportation networks, metabolic pathways, computer networks, etc.

AND/OR graph representation of assembly plans

NASA Astrophysics Data System (ADS)

Homem de Mello, Luiz S.; Sanderson, Arthur C.

1990-04-01

A compact representation of all possible assembly plans of a product using AND/OR graphs is presented as a basis for efficient planning algorithms that allow an intelligent robot to pick a course of action according to instantaneous conditions. The AND/OR graph is equivalent to a state transition graph but requires fewer nodes and simplifies the search for feasible plans. Three applications are discussed: (1) the preselection of the best assembly plan, (2) the recovery from execution errors, and (3) the opportunistic scheduling of tasks. An example of an assembly with four parts illustrates the use of the AND/OR graph representation in assembly-plan preselection, based on the weighting of operations according to complexity of manipulation and stability of subassemblies. A hypothetical error situation is discussed to show how a bottom-up search of the AND/OR graph leads to an efficient recovery.

AND/OR graph representation of assembly plans

NASA Technical Reports Server (NTRS)

Homem De Mello, Luiz S.; Sanderson, Arthur C.

1990-01-01

A compact representation of all possible assembly plans of a product using AND/OR graphs is presented as a basis for efficient planning algorithms that allow an intelligent robot to pick a course of action according to instantaneous conditions. The AND/OR graph is equivalent to a state transition graph but requires fewer nodes and simplifies the search for feasible plans. Three applications are discussed: (1) the preselection of the best assembly plan, (2) the recovery from execution errors, and (3) the opportunistic scheduling of tasks. An example of an assembly with four parts illustrates the use of the AND/OR graph representation in assembly-plan preselection, based on the weighting of operations according to complexity of manipulation and stability of subassemblies. A hypothetical error situation is discussed to show how a bottom-up search of the AND/OR graph leads to an efficient recovery.

GraphSAW: a web-based system for graphical analysis of drug interactions and side effects using pharmaceutical and molecular data.

PubMed

Shoshi, Alban; Hoppe, Tobias; Kormeier, Benjamin; Ogultarhan, Venus; Hofestädt, Ralf

2015-02-28

Adverse drug reactions are one of the most common causes of death in industrialized Western countries. Nowadays, empirical data from clinical studies for the approval and monitoring of drugs and molecular databases is available. The integration of database information is a promising method for providing well-based knowledge to avoid adverse drug reactions. This paper presents our web-based decision support system GraphSAW which analyzes and evaluates drug interactions and side effects based on data from two commercial and two freely available molecular databases. The system is able to analyze single and combined drug-drug interactions, drug-molecule interactions as well as single and cumulative side effects. In addition, it allows exploring associative networks of drugs, molecules, metabolic pathways, and diseases in an intuitive way. The molecular medication analysis includes the capabilities of the upper features. A statistical evaluation of the integrated data and top 20 drugs concerning drug interactions and side effects is performed. The results of the data analysis give an overview of all theoretically possible drug interactions and side effects. The evaluation shows a mismatch between pharmaceutical and molecular databases. The concordance of drug interactions was about 12% and 9% of drug side effects. An application case with prescribed data of 11 patients is presented in order to demonstrate the functionality of the system under real conditions. For each patient at least two interactions occured in every medication and about 8% of total diseases were possibly induced by drug therapy. GraphSAW (http://tunicata.techfak.uni-bielefeld.de/graphsaw/) is meant to be a web-based system for health professionals and researchers. GraphSAW provides comprehensive drug-related knowledge and an improved medication analysis which may support efforts to reduce the risk of medication errors and numerous drastic side effects.

Bond graph modelling of multibody dynamics and its symbolic scheme

NASA Astrophysics Data System (ADS)

Kawase, Takehiko; Yoshimura, Hiroaki

A bond graph method of modeling multibody dynamics is demonstrated. Specifically, a symbolic generation scheme which fully utilizes the bond graph information is presented. It is also demonstrated that structural understanding and representation in bond graph theory is quite powerful for the modeling of such large scale systems, and that the nonenergic multiport of junction structure, which is a multiport expression of the system structure, plays an important role, as first suggested by Paynter. The principal part of the proposed symbolic scheme, that is, the elimination of excess variables, is done through tearing and interconnection in the sense of Kron using newly defined causal and causal coefficient arrays.

Diabetes Interactive Atlas

PubMed Central

Burrows, Nilka R.; Geiss, Linda S.

2014-01-01

The Diabetes Interactive Atlas is a recently released Web-based collection of maps that allows users to view geographic patterns and examine trends in diabetes and its risk factors over time across the United States and within states. The atlas provides maps, tables, graphs, and motion charts that depict national, state, and county data. Large amounts of data can be viewed in various ways simultaneously. In this article, we describe the design and technical issues for developing the atlas and provide an overview of the atlas’ maps and graphs. The Diabetes Interactive Atlas improves visualization of geographic patterns, highlights observation of trends, and demonstrates the concomitant geographic and temporal growth of diabetes and obesity. PMID:24503340

Relevance of graph literacy in the development of patient-centered communication tools.

PubMed

Nayak, Jasmir G; Hartzler, Andrea L; Macleod, Liam C; Izard, Jason P; Dalkin, Bruce M; Gore, John L

2016-03-01

To determine the literacy skill sets of patients in the context of graphical interpretation of interactive dashboards. We assessed literacy characteristics of prostate cancer patients and assessed comprehension of quality of life dashboards. Health literacy, numeracy and graph literacy were assessed with validated tools. We divided patients into low vs. high numeracy and graph literacy. We report descriptive statistics on literacy, dashboard comprehension, and relationships between groups. We used correlation and multiple linear regressions to examine factors associated with dashboard comprehension. Despite high health literacy in educated patients (78% college educated), there was variation in numeracy and graph literacy. Numeracy and graph literacy scores were correlated (r=0.37). In those with low literacy, graph literacy scores most strongly correlated with dashboard comprehension (r=0.59-0.90). On multivariate analysis, graph literacy was independently associated with dashboard comprehension, adjusting for age, education, and numeracy level. Even among higher educated patients; variation in the ability to comprehend graphs exists. Clinicians must be aware of these differential proficiencies when counseling patients. Tools for patient-centered communication that employ visual displays need to account for literacy capabilities to ensure that patients can effectively engage these resources. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Yoink: An interaction-based partitioning API.

PubMed

Zheng, Min; Waller, Mark P

2018-05-15

Herein, we describe the implementation details of our interaction-based partitioning API (application programming interface) called Yoink for QM/MM modeling and fragment-based quantum chemistry studies. Interactions are detected by computing density descriptors such as reduced density gradient, density overlap regions indicator, and single exponential decay detector. Only molecules having an interaction with a user-definable QM core are added to the QM region of a hybrid QM/MM calculation. Moreover, a set of molecule pairs having density-based interactions within a molecular system can be computed in Yoink, and an interaction graph can then be constructed. Standard graph clustering methods can then be applied to construct fragments for further quantum chemical calculations. The Yoink API is licensed under Apache 2.0 and can be accessed via yoink.wallerlab.org. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

The impact of home care nurses' numeracy and graph literacy on comprehension of visual display information: implications for dashboard design.

PubMed

Dowding, Dawn; Merrill, Jacqueline A; Onorato, Nicole; Barrón, Yolanda; Rosati, Robert J; Russell, David

2018-02-01

To explore home care nurses' numeracy and graph literacy and their relationship to comprehension of visualized data. A multifactorial experimental design using online survey software. Nurses were recruited from 2 Medicare-certified home health agencies. Numeracy and graph literacy were measured using validated scales. Nurses were randomized to 1 of 4 experimental conditions. Each condition displayed data for 1 of 4 quality indicators, in 1 of 4 different visualized formats (bar graph, line graph, spider graph, table). A mixed linear model measured the impact of numeracy, graph literacy, and display format on data understanding. In all, 195 nurses took part in the study. They were slightly more numerate and graph literate than the general population. Overall, nurses understood information presented in bar graphs most easily (88% correct), followed by tables (81% correct), line graphs (77% correct), and spider graphs (41% correct). Individuals with low numeracy and low graph literacy had poorer comprehension of information displayed across all formats. High graph literacy appeared to enhance comprehension of data regardless of numeracy capabilities. Clinical dashboards are increasingly used to provide information to clinicians in visualized format, under the assumption that visual display reduces cognitive workload. Results of this study suggest that nurses' comprehension of visualized information is influenced by their numeracy, graph literacy, and the display format of the data. Individual differences in numeracy and graph literacy skills need to be taken into account when designing dashboard technology. © The Author 2017. Published by Oxford University Press on behalf of the American Medical Informatics Association. All rights reserved. For Permissions, please email: journals.permissions@oup.com

Figure-Ground Segmentation Using Factor Graphs

PubMed Central

Shen, Huiying; Coughlan, James; Ivanchenko, Volodymyr

2009-01-01

Foreground-background segmentation has recently been applied [26,12] to the detection and segmentation of specific objects or structures of interest from the background as an efficient alternative to techniques such as deformable templates [27]. We introduce a graphical model (i.e. Markov random field)-based formulation of structure-specific figure-ground segmentation based on simple geometric features extracted from an image, such as local configurations of linear features, that are characteristic of the desired figure structure. Our formulation is novel in that it is based on factor graphs, which are graphical models that encode interactions among arbitrary numbers of random variables. The ability of factor graphs to express interactions higher than pairwise order (the highest order encountered in most graphical models used in computer vision) is useful for modeling a variety of pattern recognition problems. In particular, we show how this property makes factor graphs a natural framework for performing grouping and segmentation, and demonstrate that the factor graph framework emerges naturally from a simple maximum entropy model of figure-ground segmentation. We cast our approach in a learning framework, in which the contributions of multiple grouping cues are learned from training data, and apply our framework to the problem of finding printed text in natural scenes. Experimental results are described, including a performance analysis that demonstrates the feasibility of the approach. PMID:20160994

Detecting higher-order interactions among the spiking events in a group of neurons.

PubMed

Martignon, L; Von Hasseln, H; Grün, S; Aertsen, A; Palm, G

1995-06-01

We propose a formal framework for the description of interactions among groups of neurons. This framework is not restricted to the common case of pair interactions, but also incorporates higher-order interactions, which cannot be reduced to lower-order ones. We derive quantitative measures to detect the presence of such interactions in experimental data, by statistical analysis of the frequency distribution of higher-order correlations in multiple neuron spike train data. Our first step is to represent a frequency distribution as a Markov field on the minimal graph it induces. We then show the invariance of this graph with regard to changes of state. Clearly, only linear Markov fields can be adequately represented by graphs. Higher-order interdependencies, which are reflected by the energy expansion of the distribution, require more complex graphical schemes, like constellations or assembly diagrams, which we introduce and discuss. The coefficients of the energy expansion not only point to the interactions among neurons but are also a measure of their strength. We investigate the statistical meaning of detected interactions in an information theoretic sense and propose minimum relative entropy approximations as null hypotheses for significance tests. We demonstrate the various steps of our method in the situation of an empirical frequency distribution on six neurons, extracted from data on simultaneous multineuron recordings from the frontal cortex of a behaving monkey and close with a brief outlook on future work.

Rapidly Mixing Gibbs Sampling for a Class of Factor Graphs Using Hierarchy Width.

PubMed

De Sa, Christopher; Zhang, Ce; Olukotun, Kunle; Ré, Christopher

2015-12-01

Gibbs sampling on factor graphs is a widely used inference technique, which often produces good empirical results. Theoretical guarantees for its performance are weak: even for tree structured graphs, the mixing time of Gibbs may be exponential in the number of variables. To help understand the behavior of Gibbs sampling, we introduce a new (hyper)graph property, called hierarchy width . We show that under suitable conditions on the weights, bounded hierarchy width ensures polynomial mixing time. Our study of hierarchy width is in part motivated by a class of factor graph templates, hierarchical templates , which have bounded hierarchy width-regardless of the data used to instantiate them. We demonstrate a rich application from natural language processing in which Gibbs sampling provably mixes rapidly and achieves accuracy that exceeds human volunteers.

Evolutionary Games of Multiplayer Cooperation on Graphs

PubMed Central

Arranz, Jordi; Traulsen, Arne

2016-01-01

There has been much interest in studying evolutionary games in structured populations, often modeled as graphs. However, most analytical results so far have only been obtained for two-player or linear games, while the study of more complex multiplayer games has been usually tackled by computer simulations. Here we investigate evolutionary multiplayer games on graphs updated with a Moran death-Birth process. For cycles, we obtain an exact analytical condition for cooperation to be favored by natural selection, given in terms of the payoffs of the game and a set of structure coefficients. For regular graphs of degree three and larger, we estimate this condition using a combination of pair approximation and diffusion approximation. For a large class of cooperation games, our approximations suggest that graph-structured populations are stronger promoters of cooperation than populations lacking spatial structure. Computer simulations validate our analytical approximations for random regular graphs and cycles, but show systematic differences for graphs with many loops such as lattices. In particular, our simulation results show that these kinds of graphs can even lead to more stringent conditions for the evolution of cooperation than well-mixed populations. Overall, we provide evidence suggesting that the complexity arising from many-player interactions and spatial structure can be captured by pair approximation in the case of random graphs, but that it need to be handled with care for graphs with high clustering. PMID:27513946

A New SAS program for behavioral analysis of electrical penetration graph data

USDA-ARS?s Scientific Manuscript database

Monitoring feeding behaviors of insects whose piercing-sucking mouthparts are inserted into plant tissue is done by making the insect part of an electronic circuit, using electropenetrography (EPG). Fluctuating voltage signals in the circuit are graphed, and resulting waveforms are interpreted as sp...

From conditional oughts to qualitative decision theory

NASA Technical Reports Server (NTRS)

Pearl, Judea

1994-01-01

The primary theme of this investigation is a decision theoretic account of conditional ought statements (e.g., 'You ought to do A, if C') that rectifies glaring deficiencies in classical deontic logic. The resulting account forms a sound basis for qualitative decision theory, thus providing a framework for qualitative planning under uncertainty. In particular, we show that adding causal relationships (in the form of a single graph) as part of an epistemic state is sufficient to facilitate the analysis of action sequences, their consequences, their interaction with observations, their expected utilities, and the synthesis of plans and strategies under uncertainty.

Effects of the Application of Graphing Calculator on Students' Probability Achievement

ERIC Educational Resources Information Center

Tan, Choo-Kim

2012-01-01

A Graphing Calculator (GC) is one of the most portable and affordable technology in mathematics education. It quickens the mechanical procedure in solving mathematical problems and creates a highly interactive learning environment, which makes learning a seemingly difficult subject, easy. Since research on the use of GCs for the teaching and…

Inferring Structure and Forecasting Dynamics on Evolving Networks

DTIC Science & Technology

2016-01-05

Graphs ........................................................................................................................ 23 7. Sacred Values...5) Team Formation; (6) Games of Graphs; (7) Sacred Values and Legitimacy in Network Interactions; (8) Network processes in Geo-Social Context. 1...Authority, Cooperation and Competition in Religious Networks Key Papers: McBride 2015a [72] and McBride 2015b [73] McBride (2015a) examines

MorphoGraphX: A platform for quantifying morphogenesis in 4D

PubMed Central

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 HK; Aegerter-Wilmsen, Tinri; Nakayama, Naomi; Tsiantis, Miltos; Hay, Angela; Kwiatkowska, Dorota; Xenarios, Ioannis; Kuhlemeier, Cris; Smith, Richard S

2015-01-01

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. DOI: http://dx.doi.org/10.7554/eLife.05864.001 PMID:25946108

New methods for analyzing semantic graph based assessments in science education

NASA Astrophysics Data System (ADS)

Vikaros, Lance Steven

This research investigated how the scoring of semantic graphs (known by many as concept maps) could be improved and automated in order to address issues of inter-rater reliability and scalability. As part of the NSF funded SENSE-IT project to introduce secondary school science students to sensor networks (NSF Grant No. 0833440), semantic graphs illustrating how temperature change affects water ecology were collected from 221 students across 16 schools. The graphing task did not constrain students' use of terms, as is often done with semantic graph based assessment due to coding and scoring concerns. The graphing software used provided real-time feedback to help students learn how to construct graphs, stay on topic and effectively communicate ideas. The collected graphs were scored by human raters using assessment methods expected to boost reliability, which included adaptations of traditional holistic and propositional scoring methods, use of expert raters, topical rubrics, and criterion graphs. High levels of inter-rater reliability were achieved, demonstrating that vocabulary constraints may not be necessary after all. To investigate a new approach to automating the scoring of graphs, thirty-two different graph features characterizing graphs' structure, semantics, configuration and process of construction were then used to predict human raters' scoring of graphs in order to identify feature patterns correlated to raters' evaluations of graphs' topical accuracy and complexity. Results led to the development of a regression model able to predict raters' scoring with 77% accuracy, with 46% accuracy expected when used to score new sets of graphs, as estimated via cross-validation tests. Although such performance is comparable to other graph and essay based scoring systems, cross-context testing of the model and methods used to develop it would be needed before it could be recommended for widespread use. Still, the findings suggest techniques for improving the reliability and scalability of semantic graph based assessments without requiring constraint of how ideas are expressed.

Reducing Abstraction When Learning Graph Theory

ERIC Educational Resources Information Center

Hazzan, Orit; Hadar, Irit

2005-01-01

This article presents research on students' understanding of basic concepts in Graph Theory. Students' understanding is analyzed through the lens of the theoretical framework of reducing abstraction (Hazzan, 1999). As it turns out, in spite of the relative simplicity of the concepts that are introduced in the introductory part of a traditional…

The AME2016 atomic mass evaluation (II). Tables, graphs and references

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

Wang, Meng; Audi, G.; Kondev, F. G.

This paper is the second part of the new evaluation of atomic masses, Ame2016. Using least-squares adjustments to all evaluated and accepted experimental data, described in Part I, we derive tables with numerical values and graphs to replace those given in Ame2012. The first table lists the recommended atomic mass values and their uncertainties. It is followed by a table of the influences of data on primary nuclides, a table of various reaction and decay energies, and finally, a series of graphs of separation and decay energies. The last section of this paper lists all references of the input datamore » used in the Ame2016 and the Nubase2016 evaluations (first paper in this issue). Amdc: http://amdc.impcas.ac.cn/« less

Localisation in a Growth Model with Interaction

NASA Astrophysics Data System (ADS)

Costa, M.; Menshikov, M.; Shcherbakov, V.; Vachkovskaia, M.

2018-05-01

This paper concerns the long term behaviour of a growth model describing a random sequential allocation of particles on a finite cycle graph. The model can be regarded as a reinforced urn model with graph-based interaction. It is motivated by cooperative sequential adsorption, where adsorption rates at a site depend on the configuration of existing particles in the neighbourhood of that site. Our main result is that, with probability one, the growth process will eventually localise either at a single site, or at a pair of neighbouring sites.

Localisation in a Growth Model with Interaction

NASA Astrophysics Data System (ADS)

Costa, M.; Menshikov, M.; Shcherbakov, V.; Vachkovskaia, M.

2018-06-01

This paper concerns the long term behaviour of a growth model describing a random sequential allocation of particles on a finite cycle graph. The model can be regarded as a reinforced urn model with graph-based interaction. It is motivated by cooperative sequential adsorption, where adsorption rates at a site depend on the configuration of existing particles in the neighbourhood of that site. Our main result is that, with probability one, the growth process will eventually localise either at a single site, or at a pair of neighbouring sites.

An efficient randomized algorithm for contact-based NMR backbone resonance assignment.

PubMed

Kamisetty, Hetunandan; Bailey-Kellogg, Chris; Pandurangan, Gopal

2006-01-15

Backbone resonance assignment is a critical bottleneck in studies of protein structure, dynamics and interactions by nuclear magnetic resonance (NMR) spectroscopy. A minimalist approach to assignment, which we call 'contact-based', seeks to dramatically reduce experimental time and expense by replacing the standard suite of through-bond experiments with the through-space (nuclear Overhauser enhancement spectroscopy, NOESY) experiment. In the contact-based approach, spectral data are represented in a graph with vertices for putative residues (of unknown relation to the primary sequence) and edges for hypothesized NOESY interactions, such that observed spectral peaks could be explained if the residues were 'close enough'. Due to experimental ambiguity, several incorrect edges can be hypothesized for each spectral peak. An assignment is derived by identifying consistent patterns of edges (e.g. for alpha-helices and beta-sheets) within a graph and by mapping the vertices to the primary sequence. The key algorithmic challenge is to be able to uncover these patterns even when they are obscured by significant noise. This paper develops, analyzes and applies a novel algorithm for the identification of polytopes representing consistent patterns of edges in a corrupted NOESY graph. Our randomized algorithm aggregates simplices into polytopes and fixes inconsistencies with simple local modifications, called rotations, that maintain most of the structure already uncovered. In characterizing the effects of experimental noise, we employ an NMR-specific random graph model in proving that our algorithm gives optimal performance in expected polynomial time, even when the input graph is significantly corrupted. We confirm this analysis in simulation studies with graphs corrupted by up to 500% noise. Finally, we demonstrate the practical application of the algorithm on several experimental beta-sheet datasets. Our approach is able to eliminate a large majority of noise edges and to uncover large consistent sets of interactions. Our algorithm has been implemented in the platform-independent Python code. The software can be freely obtained for academic use by request from the authors.

THE PEAKS AND GEOMETRY OF FITNESS LANDSCAPES

PubMed Central

CRONA, KRISTINA; GREENE, DEVIN; BARLOW, MIRIAM

2012-01-01

Fitness landscapes are central in the theory of adaptation. Recent work compares global and local properties of fitness landscapes. It has been shown that multi-peaked fitness landscapes have a local property called reciprocal sign epistasis interactions. The converse is not true. We show that no condition phrased in terms of reciprocal sign epistasis interactions only, implies multiple peaks. We give a sufficient condition for multiple peaks phrased in terms of two-way interactions. This result is surprising since it has been claimed that no sufficient local condition for multiple peaks exist. We show that our result cannot be generalized to sufficient conditions for three or more peaks. Our proof depends on fitness graphs, where nodes represent genotypes and where arrows point toward more fit genotypes. We also use fitness graphs in order to give a new brief proof of the equivalent characterizations of fitness landscapes lacking genetic constraints on accessible mutational trajectories. We compare a recent geometric classification of fitness landscape based on triangulations of polytopes with qualitative aspects of gene interactions. One observation is that fitness graphs provide information not contained in the geometric classification. We argue that a qualitative perspective may help relating theory of fitness landscapes and empirical observations. PMID:23036916

Rapidly Mixing Gibbs Sampling for a Class of Factor Graphs Using Hierarchy Width

PubMed Central

De Sa, Christopher; Zhang, Ce; Olukotun, Kunle; Ré, Christopher

2016-01-01

Gibbs sampling on factor graphs is a widely used inference technique, which often produces good empirical results. Theoretical guarantees for its performance are weak: even for tree structured graphs, the mixing time of Gibbs may be exponential in the number of variables. To help understand the behavior of Gibbs sampling, we introduce a new (hyper)graph property, called hierarchy width. We show that under suitable conditions on the weights, bounded hierarchy width ensures polynomial mixing time. Our study of hierarchy width is in part motivated by a class of factor graph templates, hierarchical templates, which have bounded hierarchy width—regardless of the data used to instantiate them. We demonstrate a rich application from natural language processing in which Gibbs sampling provably mixes rapidly and achieves accuracy that exceeds human volunteers. PMID:27279724

Simultaneous segmentation of the bone and cartilage surfaces of a knee joint in 3D

NASA Astrophysics Data System (ADS)

Yin, Y.; Zhang, X.; Anderson, D. D.; Brown, T. D.; Hofwegen, C. Van; Sonka, M.

2009-02-01

We present a novel framework for the simultaneous segmentation of multiple interacting surfaces belonging to multiple mutually interacting objects. The method is a non-trivial extension of our previously reported optimal multi-surface segmentation. Considering an example application of knee-cartilage segmentation, the framework consists of the following main steps: 1) Shape model construction: Building a mean shape for each bone of the joint (femur, tibia, patella) from interactively segmented volumetric datasets. Using the resulting mean-shape model - identification of cartilage, non-cartilage, and transition areas on the mean-shape bone model surfaces. 2) Presegmentation: Employment of iterative optimal surface detection method to achieve approximate segmentation of individual bone surfaces. 3) Cross-object surface mapping: Detection of inter-bone equidistant separating sheets to help identify corresponding vertex pairs for all interacting surfaces. 4) Multi-object, multi-surface graph construction and final segmentation: Construction of a single multi-bone, multi-surface graph so that two surfaces (bone and cartilage) with zero and non-zero intervening distances can be detected for each bone of the joint, according to whether or not cartilage can be locally absent or present on the bone. To define inter-object relationships, corresponding vertex pairs identified using the separating sheets were interlinked in the graph. The graph optimization algorithm acted on the entire multiobject, multi-surface graph to yield a globally optimal solution. The segmentation framework was tested on 16 MR-DESS knee-joint datasets from the Osteoarthritis Initiative database. The average signed surface positioning error for the 6 detected surfaces ranged from 0.00 to 0.12 mm. When independently initialized, the signed reproducibility error of bone and cartilage segmentation ranged from 0.00 to 0.26 mm. The results showed that this framework provides robust, accurate, and reproducible segmentation of the knee joint bone and cartilage surfaces of the femur, tibia, and patella. As a general segmentation tool, the developed framework can be applied to a broad range of multi-object segmentation problems.

Projected power iteration for network alignment

NASA Astrophysics Data System (ADS)

Onaran, Efe; Villar, Soledad

2017-08-01

The network alignment problem asks for the best correspondence between two given graphs, so that the largest possible number of edges are matched. This problem appears in many scientific problems (like the study of protein-protein interactions) and it is very closely related to the quadratic assignment problem which has graph isomorphism, traveling salesman and minimum bisection problems as particular cases. The graph matching problem is NP-hard in general. However, under some restrictive models for the graphs, algorithms can approximate the alignment efficiently. In that spirit the recent work by Feizi and collaborators introduce EigenAlign, a fast spectral method with convergence guarantees for Erd-s-Renyí graphs. In this work we propose the algorithm Projected Power Alignment, which is a projected power iteration version of EigenAlign. We numerically show it improves the recovery rates of EigenAlign and we describe the theory that may be used to provide performance guarantees for Projected Power Alignment.

Homology groups for particles on one-connected graphs

NASA Astrophysics Data System (ADS)

MaciÄ Żek, Tomasz; Sawicki, Adam

2017-06-01

We present a mathematical framework for describing the topology of configuration spaces for particles on one-connected graphs. In particular, we compute the homology groups over integers for different classes of one-connected graphs. Our approach is based on some fundamental combinatorial properties of the configuration spaces, Mayer-Vietoris sequences for different parts of configuration spaces, and some limited use of discrete Morse theory. As one of the results, we derive the closed-form formulae for ranks of the homology groups for indistinguishable particles on tree graphs. We also give a detailed discussion of the second homology group of the configuration space of both distinguishable and indistinguishable particles. Our motivation is the search for new kinds of quantum statistics.

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.

Polysemy in the Domain-Specific Pedagogical Use of Graphs in Science Textbooks: The Case of an Electrocardiogram

NASA Astrophysics Data System (ADS)

van Eijck, Michiel; Goedhart, Martin J.; Ellermeijer, Ton

2011-01-01

Polysemy in graph-related practices is the phenomenon that a single graph can sustain different meanings assigned to it. Considerable research has been done on polysemy in graph-related practices in school science in which graphs are rather used as scientific tools. However, graphs in science textbooks are also used rather pedagogically to illustrate domain-specific textbook content and less empirical work has been done in this respect. The aim of this study is therefore to better understand polysemy in the domain-specific pedagogical use of graphs in science textbooks. From socio-cultural and cultural-historical perspectives, we perceive polysemy as irreducible to either the meaning-making (semiotic) resources provided by the graph or its readers who assign meaning to it. Departing from this framework, we simultaneously investigated: (a) the meanings 44 pre-university biology students assigned to the Cartesian plane of a graph that is commonly used as a pedagogical tool in Dutch high school biology textbooks (an electrocardiogram); (b) the semiotic resources provided by this graph; and (c) the educational practices of which it is supposedly a part according to the actions constituted by the textbooks that were to be conducted by students. Drawing on this case, we show polysemy in the pedagogical use of graphs in science textbooks. In turn, we show how this polysemy can be explained dialectically as the result of both the meaning-making resources provided by the textbooks and the graph-related practices in which students supposedly engaged by using their textbooks. The educational implications of these findings are discussed.

Graph cuts with invariant object-interaction priors: application to intervertebral disc segmentation.

PubMed

Ben Ayed, Ismail; Punithakumar, Kumaradevan; Garvin, Gregory; Romano, Walter; Li, Shuo

2011-01-01

This study investigates novel object-interaction priors for graph cut image segmentation with application to intervertebral disc delineation in magnetic resonance (MR) lumbar spine images. The algorithm optimizes an original cost function which constrains the solution with learned prior knowledge about the geometric interactions between different objects in the image. Based on a global measure of similarity between distributions, the proposed priors are intrinsically invariant with respect to translation and rotation. We further introduce a scale variable from which we derive an original fixed-point equation (FPE), thereby achieving scale-invariance with only few fast computations. The proposed priors relax the need of costly pose estimation (or registration) procedures and large training sets (we used a single subject for training), and can tolerate shape deformations, unlike template-based priors. Our formulation leads to an NP-hard problem which does not afford a form directly amenable to graph cut optimization. We proceeded to a relaxation of the problem via an auxiliary function, thereby obtaining a nearly real-time solution with few graph cuts. Quantitative evaluations over 60 intervertebral discs acquired from 10 subjects demonstrated that the proposed algorithm yields a high correlation with independent manual segmentations by an expert. We further demonstrate experimentally the invariance of the proposed geometric attributes. This supports the fact that a single subject is sufficient for training our algorithm, and confirms the relevance of the proposed priors to disc segmentation.

Multi-Level Anomaly Detection on Time-Varying Graph Data

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

Bridges, Robert A; Collins, John P; Ferragut, Erik M

This work presents a novel modeling and analysis framework for graph sequences which addresses the challenge of detecting and contextualizing anomalies in labelled, streaming graph data. We introduce a generalization of the BTER model of Seshadhri et al. by adding flexibility to community structure, and use this model to perform multi-scale graph anomaly detection. Specifically, probability models describing coarse subgraphs are built by aggregating probabilities at finer levels, and these closely related hierarchical models simultaneously detect deviations from expectation. This technique provides insight into a graph's structure and internal context that may shed light on a detected event. Additionally, thismore » multi-scale analysis facilitates intuitive visualizations by allowing users to narrow focus from an anomalous graph to particular subgraphs or nodes causing the anomaly. For evaluation, two hierarchical anomaly detectors are tested against a baseline Gaussian method on a series of sampled graphs. We demonstrate that our graph statistics-based approach outperforms both a distribution-based detector and the baseline in a labeled setting with community structure, and it accurately detects anomalies in synthetic and real-world datasets at the node, subgraph, and graph levels. To illustrate the accessibility of information made possible via this technique, the anomaly detector and an associated interactive visualization tool are tested on NCAA football data, where teams and conferences that moved within the league are identified with perfect recall, and precision greater than 0.786.« less

Quick Reads: Using Ipads to Explore Parabolas

ERIC Educational Resources Information Center

Bixler, Sharon G.

2014-01-01

An iPad® can be used to teach students to graph parabolas with ease and grasp vocabulary quickly. Parabolas come to life for students in this easily implemented activity described in this article. Teachers can use this tool in a fun and interactive way to not only address these graphing and vocabulary concepts but also introduce and explore…

A graph with fractional revival

NASA Astrophysics Data System (ADS)

Bernard, Pierre-Antoine; Chan, Ada; Loranger, Érika; Tamon, Christino; Vinet, Luc

2018-02-01

An example of a graph that admits balanced fractional revival between antipodes is presented. It is obtained by establishing the correspondence between the quantum walk on a hypercube where the opposite vertices across the diagonals of each face are connected and, the coherent transport of single excitations in the extension of the Krawtchouk spin chain with next-to-nearest neighbour interactions.

Spatial Search by Quantum Walk is Optimal for Almost all Graphs.

PubMed

Chakraborty, Shantanav; Novo, Leonardo; Ambainis, Andris; Omar, Yasser

2016-03-11

The problem of finding a marked node in a graph can be solved by the spatial search algorithm based on continuous-time quantum walks (CTQW). However, this algorithm is known to run in optimal time only for a handful of graphs. In this work, we prove that for Erdös-Renyi random graphs, i.e., graphs of n vertices where each edge exists with probability p, search by CTQW is almost surely optimal as long as p≥log^{3/2}(n)/n. Consequently, we show that quantum spatial search is in fact optimal for almost all graphs, meaning that the fraction of graphs of n vertices for which this optimality holds tends to one in the asymptotic limit. We obtain this result by proving that search is optimal on graphs where the ratio between the second largest and the largest eigenvalue is bounded by a constant smaller than 1. Finally, we show that we can extend our results on search to establish high fidelity quantum communication between two arbitrary nodes of a random network of interacting qubits, namely, to perform quantum state transfer, as well as entanglement generation. Our work shows that quantum information tasks typically designed for structured systems retain performance in very disordered structures.

Small-world bias of correlation networks: From brain to climate

NASA Astrophysics Data System (ADS)

Hlinka, Jaroslav; Hartman, David; Jajcay, Nikola; Tomeček, David; Tintěra, Jaroslav; Paluš, Milan

2017-03-01

Complex systems are commonly characterized by the properties of their graph representation. Dynamical complex systems are then typically represented by a graph of temporal dependencies between time series of state variables of their subunits. It has been shown recently that graphs constructed in this way tend to have relatively clustered structure, potentially leading to spurious detection of small-world properties even in the case of systems with no or randomly distributed true interactions. However, the strength of this bias depends heavily on a range of parameters and its relevance for real-world data has not yet been established. In this work, we assess the relevance of the bias using two examples of multivariate time series recorded in natural complex systems. The first is the time series of local brain activity as measured by functional magnetic resonance imaging in resting healthy human subjects, and the second is the time series of average monthly surface air temperature coming from a large reanalysis of climatological data over the period 1948-2012. In both cases, the clustering in the thresholded correlation graph is substantially higher compared with a realization of a density-matched random graph, while the shortest paths are relatively short, showing thus distinguishing features of small-world structure. However, comparable or even stronger small-world properties were reproduced in correlation graphs of model processes with randomly scrambled interconnections. This suggests that the small-world properties of the correlation matrices of these real-world systems indeed do not reflect genuinely the properties of the underlying interaction structure, but rather result from the inherent properties of correlation matrix.

Small-world bias of correlation networks: From brain to climate.

PubMed

Hlinka, Jaroslav; Hartman, David; Jajcay, Nikola; Tomeček, David; Tintěra, Jaroslav; Paluš, Milan

2017-03-01

Complex systems are commonly characterized by the properties of their graph representation. Dynamical complex systems are then typically represented by a graph of temporal dependencies between time series of state variables of their subunits. It has been shown recently that graphs constructed in this way tend to have relatively clustered structure, potentially leading to spurious detection of small-world properties even in the case of systems with no or randomly distributed true interactions. However, the strength of this bias depends heavily on a range of parameters and its relevance for real-world data has not yet been established. In this work, we assess the relevance of the bias using two examples of multivariate time series recorded in natural complex systems. The first is the time series of local brain activity as measured by functional magnetic resonance imaging in resting healthy human subjects, and the second is the time series of average monthly surface air temperature coming from a large reanalysis of climatological data over the period 1948-2012. In both cases, the clustering in the thresholded correlation graph is substantially higher compared with a realization of a density-matched random graph, while the shortest paths are relatively short, showing thus distinguishing features of small-world structure. However, comparable or even stronger small-world properties were reproduced in correlation graphs of model processes with randomly scrambled interconnections. This suggests that the small-world properties of the correlation matrices of these real-world systems indeed do not reflect genuinely the properties of the underlying interaction structure, but rather result from the inherent properties of correlation matrix.

From Number Lines to Graphs in the Coordinate Plane: Investigating Problem Solving across Mathematical Representations

ERIC Educational Resources Information Center

Earnest, Darrell

2015-01-01

This article reports on students' problem-solving approaches across three representations--number lines, coordinate planes, and function graphs--the axes of which conventional mathematics treats in terms of consistent geometric and numeric coordinations. I consider these representations to be a part of a "hierarchical representational…

A Graph Approach to Mining Biological Patterns in the Binding Interfaces.

PubMed

Cheng, Wen; Yan, Changhui

2017-01-01

Protein-RNA interactions play important roles in the biological systems. Searching for regular patterns in the Protein-RNA binding interfaces is important for understanding how protein and RNA recognize each other and bind to form a complex. Herein, we present a graph-mining method for discovering biological patterns in the protein-RNA interfaces. We represented known protein-RNA interfaces using graphs and then discovered graph patterns enriched in the interfaces. Comparison of the discovered graph patterns with UniProt annotations showed that the graph patterns had a significant overlap with residue sites that had been proven crucial for the RNA binding by experimental methods. Using 200 patterns as input features, a support vector machine method was able to classify protein surface patches into RNA-binding sites and non-RNA-binding sites with 84.0% accuracy and 88.9% precision. We built a simple scoring function that calculated the total number of the graph patterns that occurred in a protein-RNA interface. That scoring function was able to discriminate near-native protein-RNA complexes from docking decoys with a performance comparable with that of a state-of-the-art complex scoring function. Our work also revealed possible patterns that might be important for binding affinity.

Coordinates and intervals in graph-based reference genomes.

PubMed

Rand, Knut D; Grytten, Ivar; Nederbragt, Alexander J; Storvik, Geir O; Glad, Ingrid K; Sandve, Geir K

2017-05-18

It has been proposed that future reference genomes should be graph structures in order to better represent the sequence diversity present in a species. However, there is currently no standard method to represent genomic intervals, such as the positions of genes or transcription factor binding sites, on graph-based reference genomes. We formalize offset-based coordinate systems on graph-based reference genomes and introduce methods for representing intervals on these reference structures. We show the advantage of our methods by representing genes on a graph-based representation of the newest assembly of the human genome (GRCh38) and its alternative loci for regions that are highly variable. More complex reference genomes, containing alternative loci, require methods to represent genomic data on these structures. Our proposed notation for genomic intervals makes it possible to fully utilize the alternative loci of the GRCh38 assembly and potential future graph-based reference genomes. We have made a Python package for representing such intervals on offset-based coordinate systems, available at https://github.com/uio-cels/offsetbasedgraph . An interactive web-tool using this Python package to visualize genes on a graph created from GRCh38 is available at https://github.com/uio-cels/genomicgraphcoords .

The Replicator Equation on Graphs

PubMed Central

Ohtsuki, Hisashi; Nowak, Martin A.

2008-01-01

We study evolutionary games on graphs. Each player is represented by a vertex of the graph. The edges denote who meets whom. A player can use any one of n strategies. Players obtain a payoff from interaction with all their immediate neighbors. We consider three different update rules, called ‘birth-death’, ‘death-birth’ and ‘imitation’. A fourth update rule, ‘pairwise comparison’, is shown to be equivalent to birth-death updating in our model. We use pair-approximation to describe the evolutionary game dynamics on regular graphs of degree k. In the limit of weak selection, we can derive a differential equation which describes how the average frequency of each strategy on the graph changes over time. Remarkably, this equation is a replicator equation with a transformed payoff matrix. Therefore, moving a game from a well-mixed population (the complete graph) onto a regular graph simply results in a transformation of the payoff matrix. The new payoff matrix is the sum of the original payoff matrix plus another matrix, which describes the local competition of strategies. We discuss the application of our theory to four particular examples, the Prisoner’s Dilemma, the Snow-Drift game, a coordination game and the Rock-Scissors-Paper game. PMID:16860343

The ergodicity landscape of quantum theories

NASA Astrophysics Data System (ADS)

Ho, Wen Wei; Radičević, Đorđe

2018-02-01

This paper is a physicist’s review of the major conceptual issues concerning the problem of spectral universality in quantum systems. Here, we present a unified, graph-based view of all archetypical models of such universality (billiards, particles in random media, interacting spin or fermion systems). We find phenomenological relations between the onset of ergodicity (Gaussian-random delocalization of eigenstates) and the structure of the appropriate graphs, and we construct a heuristic picture of summing trajectories on graphs that describes why a generic interacting system should be ergodic. We also provide an operator-based discussion of quantum chaos and propose criteria to distinguish bases that can usefully diagnose ergodicity. The result of this analysis is a rough but systematic outline of how ergodicity changes across the space of all theories with a given Hilbert space dimension. As a particular example, we study the SYK model and report on the transition from maximal to partial ergodicity as the disorder strength is decreased.

Phase transitions in Pareto optimal complex networks

NASA Astrophysics Data System (ADS)

Seoane, Luís F.; Solé, Ricard

2015-09-01

The organization of interactions in complex systems can be described by networks connecting different units. These graphs are useful representations of the local and global complexity of the underlying systems. The origin of their topological structure can be diverse, resulting from different mechanisms including multiplicative processes and optimization. In spatial networks or in graphs where cost constraints are at work, as it occurs in a plethora of situations from power grids to the wiring of neurons in the brain, optimization plays an important part in shaping their organization. In this paper we study network designs resulting from a Pareto optimization process, where different simultaneous constraints are the targets of selection. We analyze three variations on a problem, finding phase transitions of different kinds. Distinct phases are associated with different arrangements of the connections, but the need of drastic topological changes does not determine the presence or the nature of the phase transitions encountered. Instead, the functions under optimization do play a determinant role. This reinforces the view that phase transitions do not arise from intrinsic properties of a system alone, but from the interplay of that system with its external constraints.

Band connectivity for topological quantum chemistry: Band structures as a graph theory problem

NASA Astrophysics Data System (ADS)

Bradlyn, Barry; Elcoro, L.; Vergniory, M. G.; Cano, Jennifer; Wang, Zhijun; Felser, C.; Aroyo, M. I.; Bernevig, B. Andrei

2018-01-01

The conventional theory of solids is well suited to describing band structures locally near isolated points in momentum space, but struggles to capture the full, global picture necessary for understanding topological phenomena. In part of a recent paper [B. Bradlyn et al., Nature (London) 547, 298 (2017), 10.1038/nature23268], we have introduced the way to overcome this difficulty by formulating the problem of sewing together many disconnected local k .p band structures across the Brillouin zone in terms of graph theory. In this paper, we give the details of our full theoretical construction. We show that crystal symmetries strongly constrain the allowed connectivities of energy bands, and we employ graph theoretic techniques such as graph connectivity to enumerate all the solutions to these constraints. The tools of graph theory allow us to identify disconnected groups of bands in these solutions, and so identify topologically distinct insulating phases.

Transformations of Mathematical and Stimulus Functions

PubMed Central

Ninness, Chris; Barnes-Holmes, Dermot; Rumph, Robin; McCuller, Glen; Ford, Angela M; Payne, Robert; Ninness, Sharon K; Smith, Ronald J; Ward, Todd A; Elliott, Marc P

2006-01-01

Following a pretest, 8 participants who were unfamiliar with algebraic and trigonometric functions received a brief presentation on the rectangular coordinate system. Next, they participated in a computer-interactive matching-to-sample procedure that trained formula-to-formula and formula-to-graph relations. Then, they were exposed to 40 novel formula-to-graph tests and 10 novel graph-to-formula tests. Seven of the 8 participants showed substantial improvement in identifying formula-to-graph relations; however, in the test of novel graph-to-formula relations, participants tended to select equations in their factored form. Next, we manipulated contextual cues in the form of rules regarding mathematical preferences. First, we informed participants that standard forms of equations were preferred over factored forms. In a subsequent test of 10 additional novel graph-to-formula relations, participants shifted their selections to favor equations in their standard form. This preference reversed during 10 more tests when financial reward was made contingent on correct identification of formulas in factored form. Formula preferences and transformation of novel mathematical and stimulus functions are discussed. PMID:17020211

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.

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

Wylie, Brian Neil; Moreland, Kenneth D.

Graphs are a vital way of organizing data with complex correlations. A good visualization of a graph can fundamentally change human understanding of the data. Consequently, there is a rich body of work on graph visualization. Although there are many techniques that are effective on small to medium sized graphs (tens of thousands of nodes), there is a void in the research for visualizing massive graphs containing millions of nodes. Sandia is one of the few entities in the world that has the means and motivation to handle data on such a massive scale. For example, homeland security generates graphsmore » from prolific media sources such as television, telephone, and the Internet. The purpose of this project is to provide the groundwork for visualizing such massive graphs. The research provides for two major feature gaps: a parallel, interactive visualization framework and scalable algorithms to make the framework usable to a practical application. Both the frameworks and algorithms are designed to run on distributed parallel computers, which are already available at Sandia. Some features are integrated into the ThreatView{trademark} application and future work will integrate further parallel algorithms.« less

Graph partitions and cluster synchronization in networks of oscillators

PubMed Central

Schaub, Michael T.; O’Clery, Neave; Billeh, Yazan N.; Delvenne, Jean-Charles; Lambiotte, Renaud; Barahona, Mauricio

2017-01-01

Synchronization over networks depends strongly on the structure of the coupling between the oscillators. When the coupling presents certain regularities, the dynamics can be coarse-grained into clusters by means of External Equitable Partitions of the network graph and their associated quotient graphs. We exploit this graph-theoretical concept to study the phenomenon of cluster synchronization, in which different groups of nodes converge to distinct behaviors. We derive conditions and properties of networks in which such clustered behavior emerges, and show that the ensuing dynamics is the result of the localization of the eigenvectors of the associated graph Laplacians linked to the existence of invariant subspaces. The framework is applied to both linear and non-linear models, first for the standard case of networks with positive edges, before being generalized to the case of signed networks with both positive and negative interactions. We illustrate our results with examples of both signed and unsigned graphs for consensus dynamics and for partial synchronization of oscillator networks under the master stability function as well as Kuramoto oscillators. PMID:27781454

"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.

Expanding our understanding of students' use of graphs for learning physics

NASA Astrophysics Data System (ADS)

Laverty, James T.

It is generally agreed that the ability to visualize functional dependencies or physical relationships as graphs is an important step in modeling and learning. However, several studies in Physics Education Research (PER) have shown that many students in fact do not master this form of representation and even have misconceptions about the meaning of graphs that impede learning physics concepts. Working with graphs in classroom settings has been shown to improve student abilities with graphs, particularly when the students can interact with them. We introduce a novel problem type in an online homework system, which requires students to construct the graphs themselves in free form, and requires no hand-grading by instructors. A study of pre/post-test data using the Test of Understanding Graphs in Kinematics (TUG-K) over several semesters indicates that students learn significantly more from these graph construction problems than from the usual graph interpretation problems, and that graph interpretation alone may not have any significant effect. The interpretation of graphs, as well as the representation translation between textual, mathematical, and graphical representations of physics scenarios, are frequently listed among the higher order thinking skills we wish to convey in an undergraduate course. But to what degree do we succeed? Do students indeed employ higher order thinking skills when working through graphing exercises? We investigate students working through a variety of graph problems, and, using a think-aloud protocol, aim to reconstruct the cognitive processes that the students go through. We find that to a certain degree, these problems become commoditized and do not trigger the desired higher order thinking processes; simply translating ``textbook-like'' problems into the graphical realm will not achieve any additional educational goals. Whether the students have to interpret or construct a graph makes very little difference in the methods used by the students. We will also look at the results of using graph problems in an online learning environment. We will show evidence that construction problems lead to a higher degree of difficulty and degree of discrimination than other graph problems and discuss the influence the course has on these variables.

Statistically significant relational data mining :

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

Berry, Jonathan W.; Leung, Vitus Joseph; Phillips, Cynthia Ann

This report summarizes the work performed under the project (3z(BStatitically significant relational data mining.(3y (BThe goal of the project was to add more statistical rigor to the fairly ad hoc area of data mining on graphs. Our goal was to develop better algorithms and better ways to evaluate algorithm quality. We concetrated on algorithms for community detection, approximate pattern matching, and graph similarity measures. Approximate pattern matching involves finding an instance of a relatively small pattern, expressed with tolerance, in a large graph of data observed with uncertainty. This report gathers the abstracts and references for the eight refereed publicationsmore » that have appeared as part of this work. We then archive three pieces of research that have not yet been published. The first is theoretical and experimental evidence that a popular statistical measure for comparison of community assignments favors over-resolved communities over approximations to a ground truth. The second are statistically motivated methods for measuring the quality of an approximate match of a small pattern in a large graph. The third is a new probabilistic random graph model. Statisticians favor these models for graph analysis. The new local structure graph model overcomes some of the issues with popular models such as exponential random graph models and latent variable models.« less

Quantum Bose-Hubbard model with an evolving graph as a toy model for emergent spacetime

NASA Astrophysics Data System (ADS)

Hamma, Alioscia; Markopoulou, Fotini; Lloyd, Seth; Caravelli, Francesco; Severini, Simone; Markström, Klas

2010-05-01

We present a toy model for interacting matter and geometry that explores quantum dynamics in a spin system as a precursor to a quantum theory of gravity. The model has no a priori geometric properties; instead, locality is inferred from the more fundamental notion of interaction between the matter degrees of freedom. The interaction terms are themselves quantum degrees of freedom so that the structure of interactions and hence the resulting local and causal structures are dynamical. The system is a Hubbard model where the graph of the interactions is a set of quantum evolving variables. We show entanglement between spatial and matter degrees of freedom. We study numerically the quantum system and analyze its entanglement dynamics. We analyze the asymptotic behavior of the classical model. Finally, we discuss analogues of trapped surfaces and gravitational attraction in this simple model.

Making Graphical Inferences: A Hierarchical Framework

DTIC Science & Technology

2004-08-01

from graphs is considered one of the more complex skills graph readers should possess. According to the National Council of Teachers of Mathematics ...understanding graphical perception. Human Computer Interaction, 8, 353-388. NCTM : Standards for Mathematics . (2003, 2003). Pinker, S. (1990). A theory... NCTM ) the simplest type of question involves the extraction or comparison of a few explicitly represented data points (read-offs) ( NCTM : Standards

PLACNETw: a web-based tool for plasmid reconstruction from bacterial genomes.

PubMed

Vielva, Luis; de Toro, María; Lanza, Val F; de la Cruz, Fernando

2017-12-01

PLACNET is a graph-based tool for reconstruction of plasmids from next generation sequence pair-end datasets. PLACNET graphs contain two types of nodes (assembled contigs and reference genomes) and two types of edges (scaffold links and homology to references). Manual pruning of the graphs is a necessary requirement in PLACNET, but this is difficult for users without solid bioinformatic background. PLACNETw, a webtool based on PLACNET, provides an interactive graphic interface, automates BLAST searches, and extracts the relevant information for decision making. It allows a user with domain expertise to visualize the scaffold graphs and related information of contigs as well as reference sequences, so that the pruning operations can be done interactively from a personal computer without the need for additional tools. After successful pruning, each plasmid becomes a separate connected component subgraph. The resulting data are automatically downloaded by the user. PLACNETw is freely available at https://castillo.dicom.unican.es/upload/. delacruz@unican.es. A tutorial video and several solved examples are available at https://castillo.dicom.unican.es/placnetw_video/ and https://castillo.dicom.unican.es/examples/. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

Fast Solitons on Star Graphs

NASA Astrophysics Data System (ADS)

Adami, Riccardo; Cacciapuoti, Claudio; Finco, Domenico; Noja, Diego

We define the Schrödinger equation with focusing, cubic nonlinearity on one-vertex graphs. We prove global well-posedness in the energy domain and conservation laws for some self-adjoint boundary conditions at the vertex, i.e. Kirchhoff boundary condition and the so-called δ and δ‧ boundary conditions. Moreover, in the same setting, we study the collision of a fast solitary wave with the vertex and we show that it splits in reflected and transmitted components. The outgoing waves preserve a soliton character over a time which depends on the logarithm of the velocity of the ingoing solitary wave. Over the same timescale, the reflection and transmission coefficients of the outgoing waves coincide with the corresponding coefficients of the linear problem. In the analysis of the problem, we follow ideas borrowed from the seminal paper [17] about scattering of fast solitons by a delta interaction on the line, by Holmer, Marzuola and Zworski. The present paper represents an extension of their work to the case of graphs and, as a byproduct, it shows how to extend the analysis of soliton scattering by other point interactions on the line, interpreted as a degenerate graph.

Integrated Bio-Entity Network: A System for Biological Knowledge Discovery

PubMed Central

Bell, Lindsey; Chowdhary, Rajesh; Liu, Jun S.; Niu, Xufeng; Zhang, Jinfeng

2011-01-01

A significant part of our biological knowledge is centered on relationships between biological entities (bio-entities) such as proteins, genes, small molecules, pathways, gene ontology (GO) terms and diseases. Accumulated at an increasing speed, the information on bio-entity relationships is archived in different forms at scattered places. Most of such information is buried in scientific literature as unstructured text. Organizing heterogeneous information in a structured form not only facilitates study of biological systems using integrative approaches, but also allows discovery of new knowledge in an automatic and systematic way. In this study, we performed a large scale integration of bio-entity relationship information from both databases containing manually annotated, structured information and automatic information extraction of unstructured text in scientific literature. The relationship information we integrated in this study includes protein–protein interactions, protein/gene regulations, protein–small molecule interactions, protein–GO relationships, protein–pathway relationships, and pathway–disease relationships. The relationship information is organized in a graph data structure, named integrated bio-entity network (IBN), where the vertices are the bio-entities and edges represent their relationships. Under this framework, graph theoretic algorithms can be designed to perform various knowledge discovery tasks. We designed breadth-first search with pruning (BFSP) and most probable path (MPP) algorithms to automatically generate hypotheses—the indirect relationships with high probabilities in the network. We show that IBN can be used to generate plausible hypotheses, which not only help to better understand the complex interactions in biological systems, but also provide guidance for experimental designs. PMID:21738677

A multilevel layout algorithm for visualizing physical and genetic interaction networks, with emphasis on their modular organization.

PubMed

Tuikkala, Johannes; Vähämaa, Heidi; Salmela, Pekka; Nevalainen, Olli S; Aittokallio, Tero

2012-03-26

Graph drawing is an integral part of many systems biology studies, enabling visual exploration and mining of large-scale biological networks. While a number of layout algorithms are available in popular network analysis platforms, such as Cytoscape, it remains poorly understood how well their solutions reflect the underlying biological processes that give rise to the network connectivity structure. Moreover, visualizations obtained using conventional layout algorithms, such as those based on the force-directed drawing approach, may become uninformative when applied to larger networks with dense or clustered connectivity structure. We implemented a modified layout plug-in, named Multilevel Layout, which applies the conventional layout algorithms within a multilevel optimization framework to better capture the hierarchical modularity of many biological networks. Using a wide variety of real life biological networks, we carried out a systematic evaluation of the method in comparison with other layout algorithms in Cytoscape. The multilevel approach provided both biologically relevant and visually pleasant layout solutions in most network types, hence complementing the layout options available in Cytoscape. In particular, it could improve drawing of large-scale networks of yeast genetic interactions and human physical interactions. In more general terms, the biological evaluation framework developed here enables one to assess the layout solutions from any existing or future graph drawing algorithm as well as to optimize their performance for a given network type or structure. By making use of the multilevel modular organization when visualizing biological networks, together with the biological evaluation of the layout solutions, one can generate convenient visualizations for many network biology applications.

Attribute And-Or Grammar for Joint Parsing of Human Pose, Parts and Attributes.

PubMed

Park, Seyoung; Nie, Xiaohan; Zhu, Song-Chun

2017-07-25

This paper presents an attribute and-or grammar (A-AOG) model for jointly inferring human body pose and human attributes in a parse graph with attributes augmented to nodes in the hierarchical representation. In contrast to other popular methods in the current literature that train separate classifiers for poses and individual attributes, our method explicitly represents the decomposition and articulation of body parts, and account for the correlations between poses and attributes. The A-AOG model is an amalgamation of three traditional grammar formulations: (i)Phrase structure grammar representing the hierarchical decomposition of the human body from whole to parts; (ii)Dependency grammar modeling the geometric articulation by a kinematic graph of the body pose; and (iii)Attribute grammar accounting for the compatibility relations between different parts in the hierarchy so that their appearances follow a consistent style. The parse graph outputs human detection, pose estimation, and attribute prediction simultaneously, which are intuitive and interpretable. We conduct experiments on two tasks on two datasets, and experimental results demonstrate the advantage of joint modeling in comparison with computing poses and attributes independently. Furthermore, our model obtains better performance over existing methods for both pose estimation and attribute prediction tasks.

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.

Latent Factors in Student-Teacher Interaction Factor Analysis

ERIC Educational Resources Information Center

Le, Thu; Bolt, Daniel; Camburn, Eric; Goff, Peter; Rohe, Karl

2017-01-01

Classroom interactions between students and teachers form a two-way or dyadic network. Measurements such as days absent, test scores, student ratings, or student grades can indicate the "quality" of the interaction. Together with the underlying bipartite graph, these values create a valued student-teacher dyadic interaction network. To…

Efficient Inference for Trees and Alignments: Modeling Monolingual and Bilingual Syntax with Hard and Soft Constraints and Latent Variables

ERIC Educational Resources Information Center

Smith, David Arthur

2010-01-01

Much recent work in natural language processing treats linguistic analysis as an inference problem over graphs. This development opens up useful connections between machine learning, graph theory, and linguistics. The first part of this dissertation formulates syntactic dependency parsing as a dynamic Markov random field with the novel…

Surface-Water Conditions in Georgia, Water Year 2005

USGS Publications Warehouse

Painter, Jaime A.; Landers, Mark N.

2007-01-01

INTRODUCTION The U.S. Geological Survey (USGS) Georgia Water Science Center-in cooperation with Federal, State, and local agencies-collected surface-water streamflow, water-quality, and ecological data during the 2005 Water Year (October 1, 2004-September 30, 2005). These data were compiled into layers of an interactive ArcReaderTM published map document (pmf). ArcReaderTM is a product of Environmental Systems Research Institute, Inc (ESRI?). Datasets represented on the interactive map are * continuous daily mean streamflow * continuous daily mean water levels * continuous daily total precipitation * continuous daily water quality (water temperature, specific conductance dissolved oxygen, pH, and turbidity) * noncontinuous peak streamflow * miscellaneous streamflow measurements * lake or reservoir elevation * periodic surface-water quality * periodic ecological data * historical continuous daily mean streamflow discontinued prior to the 2005 water year The map interface provides the ability to identify a station in spatial reference to the political boundaries of the State of Georgia and other features-such as major streams, major roads, and other collection stations. Each station is hyperlinked to a station summary showing seasonal and annual stream characteristics for the current year and for the period of record. For continuous discharge stations, the station summary includes a one page graphical summary page containing five graphs, a station map, and a photograph of the station. The graphs provide a quick overview of the current and period-of-record hydrologic conditions of the station by providing a daily mean discharge graph for the water year, monthly statistics graph for the water year and period of record, an annual mean streamflow graph for the period of record, an annual minimum 7-day average streamflow graph for the period of record, and an annual peak streamflow graph for the period of record. Additionally, data can be accessed through the layer's link to the National Water Inventory System Web (NWISWeb) Interface.

TSAR, a new graph-theoretical approach to computational modeling of protein side-chain flexibility: modeling of ionization properties of proteins.

PubMed

Stroganov, Oleg V; Novikov, Fedor N; Zeifman, Alexey A; Stroylov, Viktor S; Chilov, Ghermes G

2011-09-01

A new graph-theoretical approach called thermodynamic sampling of amino acid residues (TSAR) has been elaborated to explicitly account for the protein side chain flexibility in modeling conformation-dependent protein properties. In TSAR, a protein is viewed as a graph whose nodes correspond to structurally independent groups and whose edges connect the interacting groups. Each node has its set of states describing conformation and ionization of the group, and each edge is assigned an array of pairwise interaction potentials between the adjacent groups. By treating the obtained graph as a belief-network-a well-established mathematical abstraction-the partition function of each node is found. In the current work we used TSAR to calculate partition functions of the ionized forms of protein residues. A simplified version of a semi-empirical molecular mechanical scoring function, borrowed from our Lead Finder docking software, was used for energy calculations. The accuracy of the resulting model was validated on a set of 486 experimentally determined pK(a) values of protein residues. The average correlation coefficient (R) between calculated and experimental pK(a) values was 0.80, ranging from 0.95 (for Tyr) to 0.61 (for Lys). It appeared that the hydrogen bond interactions and the exhaustiveness of side chain sampling made the most significant contribution to the accuracy of pK(a) calculations. Copyright © 2011 Wiley-Liss, Inc.

Automated visualization of rule-based models

PubMed Central

Tapia, Jose-Juan; Faeder, James R.

2017-01-01

Frameworks such as BioNetGen, Kappa and Simmune use “reaction rules” to specify biochemical interactions compactly, where each rule specifies a mechanism such as binding or phosphorylation and its structural requirements. Current rule-based models of signaling pathways have tens to hundreds of rules, and these numbers are expected to increase as more molecule types and pathways are added. Visual representations are critical for conveying rule-based models, but current approaches to show rules and interactions between rules scale poorly with model size. Also, inferring design motifs that emerge from biochemical interactions is an open problem, so current approaches to visualize model architecture rely on manual interpretation of the model. Here, we present three new visualization tools that constitute an automated visualization framework for rule-based models: (i) a compact rule visualization that efficiently displays each rule, (ii) the atom-rule graph that conveys regulatory interactions in the model as a bipartite network, and (iii) a tunable compression pipeline that incorporates expert knowledge and produces compact diagrams of model architecture when applied to the atom-rule graph. The compressed graphs convey network motifs and architectural features useful for understanding both small and large rule-based models, as we show by application to specific examples. Our tools also produce more readable diagrams than current approaches, as we show by comparing visualizations of 27 published models using standard graph metrics. We provide an implementation in the open source and freely available BioNetGen framework, but the underlying methods are general and can be applied to rule-based models from the Kappa and Simmune frameworks also. We expect that these tools will promote communication and analysis of rule-based models and their eventual integration into comprehensive whole-cell models. PMID:29131816

VANLO - Interactive visual exploration of aligned biological networks

PubMed Central

Brasch, Steffen; Linsen, Lars; Fuellen, Georg

2009-01-01

Background Protein-protein interaction (PPI) is fundamental to many biological processes. In the course of evolution, biological networks such as protein-protein interaction networks have developed. Biological networks of different species can be aligned by finding instances (e.g. proteins) with the same common ancestor in the evolutionary process, so-called orthologs. For a better understanding of the evolution of biological networks, such aligned networks have to be explored. Visualization can play a key role in making the various relationships transparent. Results We present a novel visualization system for aligned biological networks in 3D space that naturally embeds existing 2D layouts. In addition to displaying the intra-network connectivities, we also provide insight into how the individual networks relate to each other by placing aligned entities on top of each other in separate layers. We optimize the layout of the entire alignment graph in a global fashion that takes into account inter- as well as intra-network relationships. The layout algorithm includes a step of merging aligned networks into one graph, laying out the graph with respect to application-specific requirements, splitting the merged graph again into individual networks, and displaying the network alignment in layers. In addition to representing the data in a static way, we also provide different interaction techniques to explore the data with respect to application-specific tasks. Conclusion Our system provides an intuitive global understanding of aligned PPI networks and it allows the investigation of key biological questions. We evaluate our system by applying it to real-world examples documenting how our system can be used to investigate the data with respect to these key questions. Our tool VANLO (Visualization of Aligned Networks with Layout Optimization) can be accessed at . PMID:19821976

Human body segmentation via data-driven graph cut.

PubMed

Li, Shifeng; Lu, Huchuan; Shao, Xingqing

2014-11-01

Human body segmentation is a challenging and important problem in computer vision. Existing methods usually entail a time-consuming training phase for prior knowledge learning with complex shape matching for body segmentation. In this paper, we propose a data-driven method that integrates top-down body pose information and bottom-up low-level visual cues for segmenting humans in static images within the graph cut framework. The key idea of our approach is first to exploit human kinematics to search for body part candidates via dynamic programming for high-level evidence. Then, by using the body parts classifiers, obtaining bottom-up cues of human body distribution for low-level evidence. All the evidence collected from top-down and bottom-up procedures are integrated in a graph cut framework for human body segmentation. Qualitative and quantitative experiment results demonstrate the merits of the proposed method in segmenting human bodies with arbitrary poses from cluttered backgrounds.

Brain Graph Topology Changes Associated with Anti-Epileptic Drug Use

PubMed Central

Levin, Harvey S.; Chiang, Sharon

2015-01-01

Abstract Neuroimaging studies of functional connectivity using graph theory have furthered our understanding of the network structure in temporal lobe epilepsy (TLE). Brain network effects of anti-epileptic drugs could influence such studies, but have not been systematically studied. Resting-state functional MRI was analyzed in 25 patients with TLE using graph theory analysis. Patients were divided into two groups based on anti-epileptic medication use: those taking carbamazepine/oxcarbazepine (CBZ/OXC) (n=9) and those not taking CBZ/OXC (n=16) as a part of their medication regimen. The following graph topology metrics were analyzed: global efficiency, betweenness centrality (BC), clustering coefficient, and small-world index. Multiple linear regression was used to examine the association of CBZ/OXC with graph topology. The two groups did not differ from each other based on epilepsy characteristics. Use of CBZ/OXC was associated with a lower BC. Longer epilepsy duration was also associated with a lower BC. These findings can inform graph theory-based studies in patients with TLE. The changes observed are discussed in relation to the anti-epileptic mechanism of action and adverse effects of CBZ/OXC. PMID:25492633

Offdiagonal complexity: A computationally quick complexity measure for graphs and networks

NASA Astrophysics Data System (ADS)

Claussen, Jens Christian

2007-02-01

A vast variety of biological, social, and economical networks shows topologies drastically differing from random graphs; yet the quantitative characterization remains unsatisfactory from a conceptual point of view. Motivated from the discussion of small scale-free networks, a biased link distribution entropy is defined, which takes an extremum for a power-law distribution. This approach is extended to the node-node link cross-distribution, whose nondiagonal elements characterize the graph structure beyond link distribution, cluster coefficient and average path length. From here a simple (and computationally cheap) complexity measure can be defined. This offdiagonal complexity (OdC) is proposed as a novel measure to characterize the complexity of an undirected graph, or network. While both for regular lattices and fully connected networks OdC is zero, it takes a moderately low value for a random graph and shows high values for apparently complex structures as scale-free networks and hierarchical trees. The OdC approach is applied to the Helicobacter pylori protein interaction network and randomly rewired surrogates.

A graph-theoretical analysis algorithm for quantifying the transition from sensory input to motor output by an emotional stimulus.

PubMed

Karmonik, Christof; Fung, Steve H; Dulay, M; Verma, A; Grossman, Robert G

2013-01-01

Graph-theoretical analysis algorithms have been used for identifying subnetworks in the human brain during the Default Mode State. Here, these methods are expanded to determine the interaction of the sensory and the motor subnetworks during the performance of an approach-avoidance paradigm utilizing the correlation strength between the signal intensity time courses as measure of synchrony. From functional magnetic resonance imaging (fMRI) data of 9 healthy volunteers, two signal time courses, one from the primary visual cortex (sensory input) and one from the motor cortex (motor output) were identified and a correlation difference map was calculated. Graph networks were created from this map and visualized with spring-embedded layouts and 3D layouts in the original anatomical space. Functional clusters in these networks were identified with the MCODE clustering algorithm. Interactions between the sensory sub-network and the motor sub-network were quantified through the interaction strengths of these clusters. The percentages of interactions involving the visual cortex ranged from 85 % to 18 % and the motor cortex ranged from 40 % to 9 %. Other regions with high interactions were: frontal cortex (19 ± 18 %), insula (17 ± 22 %), cuneus (16 ± 15 %), supplementary motor area (SMA, 11 ± 18 %) and subcortical regions (11 ± 10 %). Interactions between motor cortex, SMA and visual cortex accounted for 12 %, between visual cortex and cuneus for 8 % and between motor cortex, SMA and cuneus for 6 % of all interactions. These quantitative findings are supported by the visual impressions from the 2D and 3D network layouts.

Learning directed acyclic graphs from large-scale genomics data.

PubMed

Nikolay, Fabio; Pesavento, Marius; Kritikos, George; Typas, Nassos

2017-09-20

In this paper, we consider the problem of learning the genetic interaction map, i.e., the topology of a directed acyclic graph (DAG) of genetic interactions from noisy double-knockout (DK) data. Based on a set of well-established biological interaction models, we detect and classify the interactions between genes. We propose a novel linear integer optimization program called the Genetic-Interactions-Detector (GENIE) to identify the complex biological dependencies among genes and to compute the DAG topology that matches the DK measurements best. Furthermore, we extend the GENIE program by incorporating genetic interaction profile (GI-profile) data to further enhance the detection performance. In addition, we propose a sequential scalability technique for large sets of genes under study, in order to provide statistically significant results for real measurement data. Finally, we show via numeric simulations that the GENIE program and the GI-profile data extended GENIE (GI-GENIE) program clearly outperform the conventional techniques and present real data results for our proposed sequential scalability technique.

Graph pyramids for protein function prediction

PubMed Central

2015-01-01

Background Uncovering the hidden organizational characteristics and regularities among biological sequences is the key issue for detailed understanding of an underlying biological phenomenon. Thus pattern recognition from nucleic acid sequences is an important affair for protein function prediction. As proteins from the same family exhibit similar characteristics, homology based approaches predict protein functions via protein classification. But conventional classification approaches mostly rely on the global features by considering only strong protein similarity matches. This leads to significant loss of prediction accuracy. Methods Here we construct the Protein-Protein Similarity (PPS) network, which captures the subtle properties of protein families. The proposed method considers the local as well as the global features, by examining the interactions among 'weakly interacting proteins' in the PPS network and by using hierarchical graph analysis via the graph pyramid. Different underlying properties of the protein families are uncovered by operating the proposed graph based features at various pyramid levels. Results Experimental results on benchmark data sets show that the proposed hierarchical voting algorithm using graph pyramid helps to improve computational efficiency as well the protein classification accuracy. Quantitatively, among 14,086 test sequences, on an average the proposed method misclassified only 21.1 sequences whereas baseline BLAST score based global feature matching method misclassified 362.9 sequences. With each correctly classified test sequence, the fast incremental learning ability of the proposed method further enhances the training model. Thus it has achieved more than 96% protein classification accuracy using only 20% per class training data. PMID:26044522

Graph pyramids for protein function prediction.

PubMed

Sandhan, Tushar; Yoo, Youngjun; Choi, Jin; Kim, Sun

2015-01-01

Uncovering the hidden organizational characteristics and regularities among biological sequences is the key issue for detailed understanding of an underlying biological phenomenon. Thus pattern recognition from nucleic acid sequences is an important affair for protein function prediction. As proteins from the same family exhibit similar characteristics, homology based approaches predict protein functions via protein classification. But conventional classification approaches mostly rely on the global features by considering only strong protein similarity matches. This leads to significant loss of prediction accuracy. Here we construct the Protein-Protein Similarity (PPS) network, which captures the subtle properties of protein families. The proposed method considers the local as well as the global features, by examining the interactions among 'weakly interacting proteins' in the PPS network and by using hierarchical graph analysis via the graph pyramid. Different underlying properties of the protein families are uncovered by operating the proposed graph based features at various pyramid levels. Experimental results on benchmark data sets show that the proposed hierarchical voting algorithm using graph pyramid helps to improve computational efficiency as well the protein classification accuracy. Quantitatively, among 14,086 test sequences, on an average the proposed method misclassified only 21.1 sequences whereas baseline BLAST score based global feature matching method misclassified 362.9 sequences. With each correctly classified test sequence, the fast incremental learning ability of the proposed method further enhances the training model. Thus it has achieved more than 96% protein classification accuracy using only 20% per class training data.

GraphCrunch 2: Software tool for network modeling, alignment and clustering.

PubMed

Kuchaiev, Oleksii; Stevanović, Aleksandar; Hayes, Wayne; Pržulj, Nataša

2011-01-19

Recent advancements in experimental biotechnology have produced large amounts of protein-protein interaction (PPI) data. The topology of PPI networks is believed to have a strong link to their function. Hence, the abundance of PPI data for many organisms stimulates the development of computational techniques for the modeling, comparison, alignment, and clustering of networks. In addition, finding representative models for PPI networks will improve our understanding of the cell just as a model of gravity has helped us understand planetary motion. To decide if a model is representative, we need quantitative comparisons of model networks to real ones. However, exact network comparison is computationally intractable and therefore several heuristics have been used instead. Some of these heuristics are easily computable "network properties," such as the degree distribution, or the clustering coefficient. An important special case of network comparison is the network alignment problem. Analogous to sequence alignment, this problem asks to find the "best" mapping between regions in two networks. It is expected that network alignment might have as strong an impact on our understanding of biology as sequence alignment has had. Topology-based clustering of nodes in PPI networks is another example of an important network analysis problem that can uncover relationships between interaction patterns and phenotype. We introduce the GraphCrunch 2 software tool, which addresses these problems. It is a significant extension of GraphCrunch which implements the most popular random network models and compares them with the data networks with respect to many network properties. Also, GraphCrunch 2 implements the GRAph ALigner algorithm ("GRAAL") for purely topological network alignment. GRAAL can align any pair of networks and exposes large, dense, contiguous regions of topological and functional similarities far larger than any other existing tool. Finally, GraphCruch 2 implements an algorithm for clustering nodes within a network based solely on their topological similarities. Using GraphCrunch 2, we demonstrate that eukaryotic and viral PPI networks may belong to different graph model families and show that topology-based clustering can reveal important functional similarities between proteins within yeast and human PPI networks. GraphCrunch 2 is a software tool that implements the latest research on biological network analysis. It parallelizes computationally intensive tasks to fully utilize the potential of modern multi-core CPUs. It is open-source and freely available for research use. It runs under the Windows and Linux platforms.

HAWQS Beta Flyer

EPA Pesticide Factsheets

HAWQS is a web-based interactive water quantity and quality modeling system that provides users with interactive web interfaces and maps; pre-loaded input data; outputs that include tables, charts, graphs and raw output data; and a user guide.

HAWQS beta flyer

EPA Pesticide Factsheets

HAWQS is a web-based interactive water quantity and quality modeling system that provides users with interactive web interfaces and maps; pre-loaded input data; outputs that include tables, charts, graphs and raw output data; and a user guide.

A Design of Computer Aided Instructions (CAI) for Undirected Graphs in the Discrete Math Tutorial (DMT). Part 1.

DTIC Science & Technology

1990-06-01

The objective of this thesis research is to create a tutorial for teaching aspects of undirected graphs in discrete math . It is one of the submodules...of the Discrete Math Tutorial (DMT), which is a Computer Aided Instructional (CAI) tool for teaching discrete math to the Naval Academy and the

A Design of Computer Aided Instructions (CAI) for Undirected Graphs in the Discrete Math Tutorial (DMT). Part 2

DTIC Science & Technology

1990-06-01

The objective of this thesis research is to create a tutorial for teaching aspects of undirected graphs in discrete math . It is one of the submodules...of the Discrete Math Tutorial (DMT), which is a Computer Aided Instructional (CAI) tool for teaching discrete math to the Naval Academy and the

Measuring Primary Students' Graph Interpretation Skills via a Performance Assessment: A Case Study in Instrument Development

ERIC Educational Resources Information Center

Peterman, Karen; Cranston, Kayla A.; Pryor, Marie; Kermish-Allen, Ruth

2015-01-01

This case study was conducted within the context of a place-based education project that was implemented with primary school students in the USA. The authors and participating teachers created a performance assessment of standards-aligned tasks to examine 6-10-year-old students' graph interpretation skills as part of an exploratory research…

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

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.

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.

Semantic web for integrated network analysis in biomedicine.

PubMed

Chen, Huajun; Ding, Li; Wu, Zhaohui; Yu, Tong; Dhanapalan, Lavanya; Chen, Jake Y

2009-03-01

The Semantic Web technology enables integration of heterogeneous data on the World Wide Web by making the semantics of data explicit through formal ontologies. In this article, we survey the feasibility and state of the art of utilizing the Semantic Web technology to represent, integrate and analyze the knowledge in various biomedical networks. We introduce a new conceptual framework, semantic graph mining, to enable researchers to integrate graph mining with ontology reasoning in network data analysis. Through four case studies, we demonstrate how semantic graph mining can be applied to the analysis of disease-causal genes, Gene Ontology category cross-talks, drug efficacy analysis and herb-drug interactions analysis.

Fluctuation Relations for Currents

NASA Astrophysics Data System (ADS)

Sinitsyn, Nikolai; Akimov, Alexei; Chernyak, Vladimir; Chertkov, Michael

2011-03-01

We consider a non-equilibrium statistical system on a graph or a network. Identical particles are injected, interact with each other, traverse, and leave the graph in a stochastic manner described in terms of Poisson rates, possibly strongly dependent on time and instantaneous occupation numbers at the nodes of the graph. We show that the system demonstrates a profound statistical symmetry, leading to new Fluctuation Relations that originate from the supersymmetry and the principle of the geometric universality of currents rather than from the relations between probabilities of forward and reverse trajectories. NSF/ECCS-0925618, NSF/CHE-0808910 and DOE at LANL under Contract No. DE-AC52-06NA25396.

SpectralNET – an application for spectral graph analysis and visualization

PubMed Central

Forman, Joshua J; Clemons, Paul A; Schreiber, Stuart L; Haggarty, Stephen J

2005-01-01

Background Graph theory provides a computational framework for modeling a variety of datasets including those emerging from genomics, proteomics, and chemical genetics. Networks of genes, proteins, small molecules, or other objects of study can be represented as graphs of nodes (vertices) and interactions (edges) that can carry different weights. SpectralNET is a flexible application for analyzing and visualizing these biological and chemical networks. Results Available both as a standalone .NET executable and as an ASP.NET web application, SpectralNET was designed specifically with the analysis of graph-theoretic metrics in mind, a computational task not easily accessible using currently available applications. Users can choose either to upload a network for analysis using a variety of input formats, or to have SpectralNET generate an idealized random network for comparison to a real-world dataset. Whichever graph-generation method is used, SpectralNET displays detailed information about each connected component of the graph, including graphs of degree distribution, clustering coefficient by degree, and average distance by degree. In addition, extensive information about the selected vertex is shown, including degree, clustering coefficient, various distance metrics, and the corresponding components of the adjacency, Laplacian, and normalized Laplacian eigenvectors. SpectralNET also displays several graph visualizations, including a linear dimensionality reduction for uploaded datasets (Principal Components Analysis) and a non-linear dimensionality reduction that provides an elegant view of global graph structure (Laplacian eigenvectors). Conclusion SpectralNET provides an easily accessible means of analyzing graph-theoretic metrics for data modeling and dimensionality reduction. SpectralNET is publicly available as both a .NET application and an ASP.NET web application from . Source code is available upon request. PMID:16236170

SpectralNET--an application for spectral graph analysis and visualization.

PubMed

Forman, Joshua J; Clemons, Paul A; Schreiber, Stuart L; Haggarty, Stephen J

2005-10-19

Graph theory provides a computational framework for modeling a variety of datasets including those emerging from genomics, proteomics, and chemical genetics. Networks of genes, proteins, small molecules, or other objects of study can be represented as graphs of nodes (vertices) and interactions (edges) that can carry different weights. SpectralNET is a flexible application for analyzing and visualizing these biological and chemical networks. Available both as a standalone .NET executable and as an ASP.NET web application, SpectralNET was designed specifically with the analysis of graph-theoretic metrics in mind, a computational task not easily accessible using currently available applications. Users can choose either to upload a network for analysis using a variety of input formats, or to have SpectralNET generate an idealized random network for comparison to a real-world dataset. Whichever graph-generation method is used, SpectralNET displays detailed information about each connected component of the graph, including graphs of degree distribution, clustering coefficient by degree, and average distance by degree. In addition, extensive information about the selected vertex is shown, including degree, clustering coefficient, various distance metrics, and the corresponding components of the adjacency, Laplacian, and normalized Laplacian eigenvectors. SpectralNET also displays several graph visualizations, including a linear dimensionality reduction for uploaded datasets (Principal Components Analysis) and a non-linear dimensionality reduction that provides an elegant view of global graph structure (Laplacian eigenvectors). SpectralNET provides an easily accessible means of analyzing graph-theoretic metrics for data modeling and dimensionality reduction. SpectralNET is publicly available as both a .NET application and an ASP.NET web application from http://chembank.broad.harvard.edu/resources/. Source code is available upon request.

Protein-protein interaction network-based detection of functionally similar proteins within species.

PubMed

Song, Baoxing; Wang, Fen; Guo, Yang; Sang, Qing; Liu, Min; Li, Dengyun; Fang, Wei; Zhang, Deli

2012-07-01

Although functionally similar proteins across species have been widely studied, functionally similar proteins within species showing low sequence similarity have not been examined in detail. Identification of these proteins is of significant importance for understanding biological functions, evolution of protein families, progression of co-evolution, and convergent evolution and others which cannot be obtained by detection of functionally similar proteins across species. Here, we explored a method of detecting functionally similar proteins within species based on graph theory. After denoting protein-protein interaction networks using graphs, we split the graphs into subgraphs using the 1-hop method. Proteins with functional similarities in a species were detected using a method of modified shortest path to compare these subgraphs and to find the eligible optimal results. Using seven protein-protein interaction networks and this method, some functionally similar proteins with low sequence similarity that cannot detected by sequence alignment were identified. By analyzing the results, we found that, sometimes, it is difficult to separate homologous from convergent evolution. Evaluation of the performance of our method by gene ontology term overlap showed that the precision of our method was excellent. Copyright © 2012 Wiley Periodicals, Inc.

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).

Predicting drug-disease interactions by semi-supervised graph cut algorithm and three-layer data integration.

PubMed

Wu, Guangsheng; Liu, Juan; Wang, Caihua

2017-12-28

Prediction of drug-disease interactions is promising for either drug repositioning or disease treatment fields. The discovery of novel drug-disease interactions, on one hand can help to find novel indictions for the approved drugs; on the other hand can provide new therapeutic approaches for the diseases. Recently, computational methods for finding drug-disease interactions have attracted lots of attention because of their far more higher efficiency and lower cost than the traditional wet experiment methods. However, they still face several challenges, such as the organization of the heterogeneous data, the performance of the model, and so on. In this work, we present to hierarchically integrate the heterogeneous data into three layers. The drug-drug and disease-disease similarities are first calculated separately in each layer, and then the similarities from three layers are linearly fused into comprehensive drug similarities and disease similarities, which can then be used to measure the similarities between two drug-disease pairs. We construct a novel weighted drug-disease pair network, where a node is a drug-disease pair with known or unknown treatment relation, an edge represents the node-node relation which is weighted with the similarity score between two pairs. Now that similar drug-disease pairs are supposed to show similar treatment patterns, we can find the optimal graph cut of the network. The drug-disease pair with unknown relation can then be considered to have similar treatment relation with that within the same cut. Therefore, we develop a semi-supervised graph cut algorithm, SSGC, to find the optimal graph cut, based on which we can identify the potential drug-disease treatment interactions. By comparing with three representative network-based methods, SSGC achieves the highest performances, in terms of both AUC score and the identification rates of true drug-disease pairs. The experiments with different integration strategies also demonstrate that considering several sources of data can improve the performances of the predictors. Further case studies on four diseases, the top-ranked drug-disease associations have been confirmed by KEGG, CTD database and the literature, illustrating the usefulness of SSGC. The proposed comprehensive similarity scores from multi-views and multiple layers and the graph-cut based algorithm can greatly improve the prediction performances of drug-disease associations.

Communication: Theoretical prediction of free-energy landscapes for complex self-assembly

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

Jacobs, William M.; Reinhardt, Aleks; Frenkel, Daan

2015-01-14

We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing the connectivity of the target assembly. By considering the designed interactions separately from weaker, incidental interactions, our approach yields predictions for the equilibrium yield and nucleation barriers. These predictions are in good agreement with corresponding Monte Carlo simulations. We show that a few fundamental properties of the connectivity graph determine the most prominent features of the assembly thermodynamics. Surprisingly, we find that polydispersity in themore » strengths of the designed interactions stabilizes intermediate structures and can be used to sculpt the free-energy landscape for self-assembly. Finally, we demonstrate that weak incidental interactions can preclude assembly at equilibrium due to the combinatorial possibilities for incorrect association.« less

Analysis of spontaneous EEG activity in Alzheimer's disease using cross-sample entropy and graph theory.

PubMed

Gomez, Carlos; Poza, Jesus; Gomez-Pilar, Javier; Bachiller, Alejandro; Juan-Cruz, Celia; Tola-Arribas, Miguel A; Carreres, Alicia; Cano, Monica; Hornero, Roberto

2016-08-01

The aim of this pilot study was to analyze spontaneous electroencephalography (EEG) activity in Alzheimer's disease (AD) by means of Cross-Sample Entropy (Cross-SampEn) and two local measures derived from graph theory: clustering coefficient (CC) and characteristic path length (PL). Five minutes of EEG activity were recorded from 37 patients with dementia due to AD and 29 elderly controls. Our results showed that Cross-SampEn values were lower in the AD group than in the control one for all the interactions among EEG channels. This finding indicates that EEG activity in AD is characterized by a lower statistical dissimilarity among channels. Significant differences were found mainly for fronto-central interactions (p <; 0.01, permutation test). Additionally, the application of graph theory measures revealed diverse neural network changes, i.e. lower CC and higher PL values in AD group, leading to a less efficient brain organization. This study suggests the usefulness of our approach to provide further insights into the underlying brain dynamics associated with AD.

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.

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

Less is less: a systematic review of graph use in meta-analyses.

PubMed

Schild, Anne H E; Voracek, Martin

2013-09-01

Graphs are an essential part of scientific communication. Complex datasets, of which meta-analyses are textbook examples, benefit the most from visualization. Although a number of graph options for meta-analyses exist, the extent to which these are used was hitherto unclear. A systematic review on graph use in meta-analyses in three disciplines (medicine, psychology, and business) and nine journals was conducted. Interdisciplinary differences, which are mirrored in the respective journals, were revealed, that is, graph use correlates with external factors rather than methodological considerations. There was only limited variation in graph types (with forest plots as the most important representatives), and diagnostic plots were very rare. Although an increase in graph use over time could be observed, it is unlikely that this phenomenon is specific to meta-analyses. There is a gaping discrepancy between available graphic methods and their application in meta-analyses. This may be rooted in a number of factors, namely, (i) insufficient dissemination of new developments, (ii) unsatisfactory implementation in software packages, and (iii) minor attention on graphics in meta-analysis reporting guidelines. Using visualization methods to their full capacity is a further step in using meta-analysis to its full potential. Copyright © 2013 John Wiley & Sons, Ltd.

Quantum Algorithms Based on Physical Processes

DTIC Science & Technology

2013-12-03

quantum walks with hard-core bosons and the graph isomorphism problem,” American Physical Society March meeting, March 2011 Kenneth Rudinger, John...King Gamble, Mark Wellons, Mark Friesen, Dong Zhou, Eric Bach, Robert Joynt, and S.N. Coppersmith, “Quantum random walks of non-interacting bosons on...and noninteracting Bosons to distinguish nonisomorphic graphs. 1) We showed that quantum walks of two hard-core Bosons can distinguish all pairs of

Quantum Algorithms Based on Physical Processes

DTIC Science & Technology

2013-12-02

quantum walks with hard-core bosons and the graph isomorphism problem,” American Physical Society March meeting, March 2011 Kenneth Rudinger, John...King Gamble, Mark Wellons, Mark Friesen, Dong Zhou, Eric Bach, Robert Joynt, and S.N. Coppersmith, “Quantum random walks of non-interacting bosons on...and noninteracting Bosons to distinguish nonisomorphic graphs. 1) We showed that quantum walks of two hard-core Bosons can distinguish all pairs of

Scalable Matrix Algorithms for Interactive Analytics of Very Large Informatics Graphs

DTIC Science & Technology

2017-06-14

information networks. Depending on the situation, these larger networks may not fit on a single machine. Although we considered traditional matrix and graph...collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources...gathering and maintaining the data needed, and completing and reviewing the collection of information . Send comments regarding this burden estimate or

From Specific Information Extraction to Inferences: A Hierarchical Framework of Graph Comprehension

DTIC Science & Technology

2004-09-01

The skill to interpret the information displayed in graphs is so important to have, the National Council of Teachers of Mathematics has created...guidelines to ensure that students learn these skills ( NCTM : Standards for Mathematics , 2003). These guidelines are based primarily on the extraction of...graphical perception. Human Computer Interaction, 8, 353-388. NCTM : Standards for Mathematics . (2003, 2003). Peebles, D., & Cheng, P. C.-H. (2002

Automation for System Safety Analysis

NASA Technical Reports Server (NTRS)

Malin, Jane T.; Fleming, Land; Throop, David; Thronesbery, Carroll; Flores, Joshua; Bennett, Ted; Wennberg, Paul

2009-01-01

This presentation describes work to integrate a set of tools to support early model-based analysis of failures and hazards due to system-software interactions. The tools perform and assist analysts in the following tasks: 1) extract model parts from text for architecture and safety/hazard models; 2) combine the parts with library information to develop the models for visualization and analysis; 3) perform graph analysis and simulation to identify and evaluate possible paths from hazard sources to vulnerable entities and functions, in nominal and anomalous system-software configurations and scenarios; and 4) identify resulting candidate scenarios for software integration testing. There has been significant technical progress in model extraction from Orion program text sources, architecture model derivation (components and connections) and documentation of extraction sources. Models have been derived from Internal Interface Requirements Documents (IIRDs) and FMEA documents. Linguistic text processing is used to extract model parts and relationships, and the Aerospace Ontology also aids automated model development from the extracted information. Visualizations of these models assist analysts in requirements overview and in checking consistency and completeness.

Control networks and hubs.

PubMed

Gratton, Caterina; Sun, Haoxin; Petersen, Steven E

2018-03-01

Executive control functions are associated with frontal, parietal, cingulate, and insular brain regions that interact through distributed large-scale networks. Here, we discuss how fMRI functional connectivity can shed light on the organization of control networks and how they interact with other parts of the brain. In the first section of our review, we present convergent evidence from fMRI functional connectivity, activation, and lesion studies that there are multiple dissociable control networks in the brain with distinct functional properties. In the second section, we discuss how graph theoretical concepts can help illuminate the mechanisms by which control networks interact with other brain regions to carry out goal-directed functions, focusing on the role of specialized hub regions for mediating cross-network interactions. Again, we use a combination of functional connectivity, lesion, and task activation studies to bolster this claim. We conclude that a large-scale network perspective provides important neurobiological constraints on the neural underpinnings of executive control, which will guide future basic and translational research into executive function and its disruption in disease. © 2017 Society for Psychophysiological Research.

Finding Multiple Internal Rates of Return for a Project with Non-Conventional Cash Flows: Utilizing Popular Financial/Graphing Calculators and Spreadsheet Software

ERIC Educational Resources Information Center

Chen, Jeng-Hong

2008-01-01

This study demonstrates that a popular graphing calculator among students, TI-83 Plus, has a powerful function to draw the NPV profile and find the accurate multiple IRRs for a project with non-conventional cash flows. However, finance textbooks or related supplementary materials do not provide students instructions for this part. The detailed…

Visualization of Documents and Concepts in Neuroinformatics with the 3D-SE Viewer

PubMed Central

Naud, Antoine; Usui, Shiro; Ueda, Naonori; Taniguchi, Tatsuki

2007-01-01

A new interactive visualization tool is proposed for mining text data from various fields of neuroscience. Applications to several text datasets are presented to demonstrate the capability of the proposed interactive tool to visualize complex relationships between pairs of lexical entities (with some semantic contents) such as terms, keywords, posters, or papers' abstracts. Implemented as a Java applet, this tool is based on the spherical embedding (SE) algorithm, which was designed for the visualization of bipartite graphs. Items such as words and documents are linked on the basis of occurrence relationships, which can be represented in a bipartite graph. These items are visualized by embedding the vertices of the bipartite graph on spheres in a three-dimensional (3-D) space. The main advantage of the proposed visualization tool is that 3-D layouts can convey more information than planar or linear displays of items or graphs. Different kinds of information extracted from texts, such as keywords, indexing terms, or topics are visualized, allowing interactive browsing of various fields of research featured by keywords, topics, or research teams. A typical use of the 3D-SE viewer is quick browsing of topics displayed on a sphere, then selecting one or several item(s) displays links to related terms on another sphere representing, e.g., documents or abstracts, and provides direct online access to the document source in a database, such as the Visiome Platform or the SfN Annual Meeting. Developed as a Java applet, it operates as a tool on top of existing resources. PMID:18974802

Visualization of Documents and Concepts in Neuroinformatics with the 3D-SE Viewer.

PubMed

Naud, Antoine; Usui, Shiro; Ueda, Naonori; Taniguchi, Tatsuki

2007-01-01

A new interactive visualization tool is proposed for mining text data from various fields of neuroscience. Applications to several text datasets are presented to demonstrate the capability of the proposed interactive tool to visualize complex relationships between pairs of lexical entities (with some semantic contents) such as terms, keywords, posters, or papers' abstracts. Implemented as a Java applet, this tool is based on the spherical embedding (SE) algorithm, which was designed for the visualization of bipartite graphs. Items such as words and documents are linked on the basis of occurrence relationships, which can be represented in a bipartite graph. These items are visualized by embedding the vertices of the bipartite graph on spheres in a three-dimensional (3-D) space. The main advantage of the proposed visualization tool is that 3-D layouts can convey more information than planar or linear displays of items or graphs. Different kinds of information extracted from texts, such as keywords, indexing terms, or topics are visualized, allowing interactive browsing of various fields of research featured by keywords, topics, or research teams. A typical use of the 3D-SE viewer is quick browsing of topics displayed on a sphere, then selecting one or several item(s) displays links to related terms on another sphere representing, e.g., documents or abstracts, and provides direct online access to the document source in a database, such as the Visiome Platform or the SfN Annual Meeting. Developed as a Java applet, it operates as a tool on top of existing resources.

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

Temporal networks

NASA Astrophysics Data System (ADS)

Holme, Petter; Saramäki, Jari

2012-10-01

A great variety of systems in nature, society and technology-from the web of sexual contacts to the Internet, from the nervous system to power grids-can be modeled as graphs of vertices coupled by edges. The network structure, describing how the graph is wired, helps us understand, predict and optimize the behavior of dynamical systems. In many cases, however, the edges are not continuously active. As an example, in networks of communication via e-mail, text messages, or phone calls, edges represent sequences of instantaneous or practically instantaneous contacts. In some cases, edges are active for non-negligible periods of time: e.g., the proximity patterns of inpatients at hospitals can be represented by a graph where an edge between two individuals is on throughout the time they are at the same ward. Like network topology, the temporal structure of edge activations can affect dynamics of systems interacting through the network, from disease contagion on the network of patients to information diffusion over an e-mail network. In this review, we present the emergent field of temporal networks, and discuss methods for analyzing topological and temporal structure and models for elucidating their relation to the behavior of dynamical systems. In the light of traditional network theory, one can see this framework as moving the information of when things happen from the dynamical system on the network, to the network itself. Since fundamental properties, such as the transitivity of edges, do not necessarily hold in temporal networks, many of these methods need to be quite different from those for static networks. The study of temporal networks is very interdisciplinary in nature. Reflecting this, even the object of study has many names-temporal graphs, evolving graphs, time-varying graphs, time-aggregated graphs, time-stamped graphs, dynamic networks, dynamic graphs, dynamical graphs, and so on. This review covers different fields where temporal graphs are considered, but does not attempt to unify related terminology-rather, we want to make papers readable across disciplines.

Cross over of recurrence networks to random graphs and random geometric graphs

NASA Astrophysics Data System (ADS)

Jacob, Rinku; Harikrishnan, K. P.; Misra, R.; Ambika, G.

2017-02-01

Recurrence networks are complex networks constructed from the time series of chaotic dynamical systems where the connection between two nodes is limited by the recurrence threshold. This condition makes the topology of every recurrence network unique with the degree distribution determined by the probability density variations of the representative attractor from which it is constructed. Here we numerically investigate the properties of recurrence networks from standard low-dimensional chaotic attractors using some basic network measures and show how the recurrence networks are different from random and scale-free networks. In particular, we show that all recurrence networks can cross over to random geometric graphs by adding sufficient amount of noise to the time series and into the classical random graphs by increasing the range of interaction to the system size. We also highlight the effectiveness of a combined plot of characteristic path length and clustering coefficient in capturing the small changes in the network characteristics.

Neuro-symbolic representation learning on biological knowledge graphs.

PubMed

Alshahrani, Mona; Khan, Mohammad Asif; Maddouri, Omar; Kinjo, Akira R; Queralt-Rosinach, Núria; Hoehndorf, Robert

2017-09-01

Biological data and knowledge bases increasingly rely on Semantic Web technologies and the use of knowledge graphs for data integration, retrieval and federated queries. In the past years, feature learning methods that are applicable to graph-structured data are becoming available, but have not yet widely been applied and evaluated on structured biological knowledge. Results: We develop a novel method for feature learning on biological knowledge graphs. Our method combines symbolic methods, in particular knowledge representation using symbolic logic and automated reasoning, with neural networks to generate embeddings of nodes that encode for related information within knowledge graphs. Through the use of symbolic logic, these embeddings contain both explicit and implicit information. We apply these embeddings to the prediction of edges in the knowledge graph representing problems of function prediction, finding candidate genes of diseases, protein-protein interactions, or drug target relations, and demonstrate performance that matches and sometimes outperforms traditional approaches based on manually crafted features. Our method can be applied to any biological knowledge graph, and will thereby open up the increasing amount of Semantic Web based knowledge bases in biology to use in machine learning and data analytics. https://github.com/bio-ontology-research-group/walking-rdf-and-owl. robert.hoehndorf@kaust.edu.sa. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

A multilevel layout algorithm for visualizing physical and genetic interaction networks, with emphasis on their modular organization

PubMed Central

2012-01-01

Background Graph drawing is an integral part of many systems biology studies, enabling visual exploration and mining of large-scale biological networks. While a number of layout algorithms are available in popular network analysis platforms, such as Cytoscape, it remains poorly understood how well their solutions reflect the underlying biological processes that give rise to the network connectivity structure. Moreover, visualizations obtained using conventional layout algorithms, such as those based on the force-directed drawing approach, may become uninformative when applied to larger networks with dense or clustered connectivity structure. Methods We implemented a modified layout plug-in, named Multilevel Layout, which applies the conventional layout algorithms within a multilevel optimization framework to better capture the hierarchical modularity of many biological networks. Using a wide variety of real life biological networks, we carried out a systematic evaluation of the method in comparison with other layout algorithms in Cytoscape. Results The multilevel approach provided both biologically relevant and visually pleasant layout solutions in most network types, hence complementing the layout options available in Cytoscape. In particular, it could improve drawing of large-scale networks of yeast genetic interactions and human physical interactions. In more general terms, the biological evaluation framework developed here enables one to assess the layout solutions from any existing or future graph drawing algorithm as well as to optimize their performance for a given network type or structure. Conclusions By making use of the multilevel modular organization when visualizing biological networks, together with the biological evaluation of the layout solutions, one can generate convenient visualizations for many network biology applications. PMID:22448851

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.

Modern temporal network theory: a colloquium

NASA Astrophysics Data System (ADS)

Holme, Petter

2015-09-01

The power of any kind of network approach lies in the ability to simplify a complex system so that one can better understand its function as a whole. Sometimes it is beneficial, however, to include more information than in a simple graph of only nodes and links. Adding information about times of interactions can make predictions and mechanistic understanding more accurate. The drawback, however, is that there are not so many methods available, partly because temporal networks is a relatively young field, partly because it is more difficult to develop such methods compared to for static networks. In this colloquium, we review the methods to analyze and model temporal networks and processes taking place on them, focusing mainly on the last three years. This includes the spreading of infectious disease, opinions, rumors, in social networks; information packets in computer networks; various types of signaling in biology, and more. We also discuss future directions.

Information Extraction for System-Software Safety Analysis: Calendar Year 2007 Year-End Report

NASA Technical Reports Server (NTRS)

Malin, Jane T.

2008-01-01

This annual report describes work to integrate a set of tools to support early model-based analysis of failures and hazards due to system-software interactions. The tools perform and assist analysts in the following tasks: 1) extract model parts from text for architecture and safety/hazard models; 2) combine the parts with library information to develop the models for visualization and analysis; 3) perform graph analysis on the models to identify possible paths from hazard sources to vulnerable entities and functions, in nominal and anomalous system-software configurations; 4) perform discrete-time-based simulation on the models to investigate scenarios where these paths may play a role in failures and mishaps; and 5) identify resulting candidate scenarios for software integration testing. This paper describes new challenges in a NASA abort system case, and enhancements made to develop the integrated tool set.

State transfer in highly connected networks and a quantum Babinet principle

NASA Astrophysics Data System (ADS)

Tsomokos, D. I.; Plenio, M. B.; de Vega, I.; Huelga, S. F.

2008-12-01

The transfer of a quantum state between distant nodes in two-dimensional networks is considered. The fidelity of state transfer is calculated as a function of the number of interactions in networks that are described by regular graphs. It is shown that perfect state transfer is achieved in a network of size N , whose structure is that of an (N/2) -cross polytope graph, if N is a multiple of 4 . The result is reminiscent of the Babinet principle of classical optics. A quantum Babinet principle is derived, which allows for the identification of complementary graphs leading to the same fidelity of state transfer, in analogy with complementary screens providing identical diffraction patterns.

A new graph-based method for pairwise global network alignment

PubMed Central

Klau, Gunnar W

2009-01-01

Background In addition to component-based comparative approaches, network alignments provide the means to study conserved network topology such as common pathways and more complex network motifs. Yet, unlike in classical sequence alignment, the comparison of networks becomes computationally more challenging, as most meaningful assumptions instantly lead to NP-hard problems. Most previous algorithmic work on network alignments is heuristic in nature. Results We introduce the graph-based maximum structural matching formulation for pairwise global network alignment. We relate the formulation to previous work and prove NP-hardness of the problem. Based on the new formulation we build upon recent results in computational structural biology and present a novel Lagrangian relaxation approach that, in combination with a branch-and-bound method, computes provably optimal network alignments. The Lagrangian algorithm alone is a powerful heuristic method, which produces solutions that are often near-optimal and – unlike those computed by pure heuristics – come with a quality guarantee. Conclusion Computational experiments on the alignment of protein-protein interaction networks and on the classification of metabolic subnetworks demonstrate that the new method is reasonably fast and has advantages over pure heuristics. Our software tool is freely available as part of the LISA library. PMID:19208162

A simple rule for the evolution of cooperation on graphs and social networks.

PubMed

Ohtsuki, Hisashi; Hauert, Christoph; Lieberman, Erez; Nowak, Martin A

2006-05-25

A fundamental aspect of all biological systems is cooperation. Cooperative interactions are required for many levels of biological organization ranging from single cells to groups of animals. Human society is based to a large extent on mechanisms that promote cooperation. It is well known that in unstructured populations, natural selection favours defectors over cooperators. There is much current interest, however, in studying evolutionary games in structured populations and on graphs. These efforts recognize the fact that who-meets-whom is not random, but determined by spatial relationships or social networks. Here we describe a surprisingly simple rule that is a good approximation for all graphs that we have analysed, including cycles, spatial lattices, random regular graphs, random graphs and scale-free networks: natural selection favours cooperation, if the benefit of the altruistic act, b, divided by the cost, c, exceeds the average number of neighbours, k, which means b/c > k. In this case, cooperation can evolve as a consequence of 'social viscosity' even in the absence of reputation effects or strategic complexity.

Breaking of Ensemble Equivalence in Networks

NASA Astrophysics Data System (ADS)

Squartini, Tiziano; de Mol, Joey; den Hollander, Frank; Garlaschelli, Diego

2015-12-01

It is generally believed that, in the thermodynamic limit, the microcanonical description as a function of energy coincides with the canonical description as a function of temperature. However, various examples of systems for which the microcanonical and canonical ensembles are not equivalent have been identified. A complete theory of this intriguing phenomenon is still missing. Here we show that ensemble nonequivalence can manifest itself also in random graphs with topological constraints. We find that, while graphs with a given number of links are ensemble equivalent, graphs with a given degree sequence are not. This result holds irrespective of whether the energy is nonadditive (as in unipartite graphs) or additive (as in bipartite graphs). In contrast with previous expectations, our results show that (1) physically, nonequivalence can be induced by an extensive number of local constraints, and not necessarily by long-range interactions or nonadditivity, (2) mathematically, nonequivalence is determined by a different large-deviation behavior of microcanonical and canonical probabilities for a single microstate, and not necessarily for almost all microstates. The latter criterion, which is entirely local, is not restricted to networks and holds in general.

Graph theory enables drug repurposing--how a mathematical model can drive the discovery of hidden mechanisms of action.

PubMed

Gramatica, Ruggero; Di Matteo, T; Giorgetti, Stefano; Barbiani, Massimo; Bevec, Dorian; Aste, Tomaso

2014-01-01

We introduce a methodology to efficiently exploit natural-language expressed biomedical knowledge for repurposing existing drugs towards diseases for which they were not initially intended. Leveraging on developments in Computational Linguistics and Graph Theory, a methodology is defined to build a graph representation of knowledge, which is automatically analysed to discover hidden relations between any drug and any disease: these relations are specific paths among the biomedical entities of the graph, representing possible Modes of Action for any given pharmacological compound. We propose a measure for the likeliness of these paths based on a stochastic process on the graph. This measure depends on the abundance of indirect paths between a peptide and a disease, rather than solely on the strength of the shortest path connecting them. We provide real-world examples, showing how the method successfully retrieves known pathophysiological Mode of Action and finds new ones by meaningfully selecting and aggregating contributions from known bio-molecular interactions. Applications of this methodology are presented, and prove the efficacy of the method for selecting drugs as treatment options for rare diseases.

Combinatorial Statistics on Trees and Networks

DTIC Science & Technology

2010-09-29

interaction graph is drawn from the Erdos- Renyi , G(n,p), where each edge is present independently with probability p. For this model we establish a double...special interest is the behavior of Gibbs sampling on the Erdos- Renyi random graph G{n, d/n), where each edge is chosen independently with...which have no counterparts in the coloring setting. Our proof presented here exploits in novel ways the local treelike structure of Erdos- Renyi

Students Achieve More in New York Integrated Math AB with TI Graphing Calculators and the TI-Navigator[TM] System. Case Study 3

ERIC Educational Resources Information Center

Morse, Dana F.

2007-01-01

This study took place at Skaneateles High School in Skaneateles, New York in a grade 10 Integrated Math AB course with 52 students in 3 sections using the TI-84 Plus family graphing calculators and the TI-Navigator classroom learning system with a projector and interactive whiteboard. New York State is phasing in a new curriculum that integrates…

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.

Visual Exploratory Search of Relationship Graphs on Smartphones

PubMed Central

Ouyang, Jianquan; Zheng, Hao; Kong, Fanbin; Liu, Tianming

2013-01-01

This paper presents a novel framework for Visual Exploratory Search of Relationship Graphs on Smartphones (VESRGS) that is composed of three major components: inference and representation of semantic relationship graphs on the Web via meta-search, visual exploratory search of relationship graphs through both querying and browsing strategies, and human-computer interactions via the multi-touch interface and mobile Internet on smartphones. In comparison with traditional lookup search methodologies, the proposed VESRGS system is characterized with the following perceived advantages. 1) It infers rich semantic relationships between the querying keywords and other related concepts from large-scale meta-search results from Google, Yahoo! and Bing search engines, and represents semantic relationships via graphs; 2) the exploratory search approach empowers users to naturally and effectively explore, adventure and discover knowledge in a rich information world of interlinked relationship graphs in a personalized fashion; 3) it effectively takes the advantages of smartphones’ user-friendly interfaces and ubiquitous Internet connection and portability. Our extensive experimental results have demonstrated that the VESRGS framework can significantly improve the users’ capability of seeking the most relevant relationship information to their own specific needs. We envision that the VESRGS framework can be a starting point for future exploration of novel, effective search strategies in the mobile Internet era. PMID:24223936

High-Performance Data Analytics Beyond the Relational and Graph Data Models with GEMS

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

Castellana, Vito G.; Minutoli, Marco; Bhatt, Shreyansh

Graphs represent an increasingly popular data model for data-analytics, since they can naturally represent relationships and interactions between entities. Relational databases and their pure table-based data model are not well suitable to store and process sparse data. Consequently, graph databases have gained interest in the last few years and the Resource Description Framework (RDF) became the standard data model for graph data. Nevertheless, while RDF is well suited to analyze the relationships between the entities, it is not efficient in representing their attributes and properties. In this work we propose the adoption of a new hybrid data model, based onmore » attributed graphs, that aims at overcoming the limitations of the pure relational and graph data models. We present how we have re-designed the GEMS data-analytics framework to fully take advantage of the proposed hybrid data model. To improve analysts productivity, in addition to a C++ API for applications development, we adopt GraQL as input query language. We validate our approach implementing a set of queries on net-flow data and we compare our framework performance against Neo4j. Experimental results show significant performance improvement over Neo4j, up to several orders of magnitude when increasing the size of the input data.« less

TreeNetViz: revealing patterns of networks over tree structures.

PubMed

Gou, Liang; Zhang, Xiaolong Luke

2011-12-01

Network data often contain important attributes from various dimensions such as social affiliations and areas of expertise in a social network. If such attributes exhibit a tree structure, visualizing a compound graph consisting of tree and network structures becomes complicated. How to visually reveal patterns of a network over a tree has not been fully studied. In this paper, we propose a compound graph model, TreeNet, to support visualization and analysis of a network at multiple levels of aggregation over a tree. We also present a visualization design, TreeNetViz, to offer the multiscale and cross-scale exploration and interaction of a TreeNet graph. TreeNetViz uses a Radial, Space-Filling (RSF) visualization to represent the tree structure, a circle layout with novel optimization to show aggregated networks derived from TreeNet, and an edge bundling technique to reduce visual complexity. Our circular layout algorithm reduces both total edge-crossings and edge length and also considers hierarchical structure constraints and edge weight in a TreeNet graph. These experiments illustrate that the algorithm can reduce visual cluttering in TreeNet graphs. Our case study also shows that TreeNetViz has the potential to support the analysis of a compound graph by revealing multiscale and cross-scale network patterns. © 2011 IEEE

Quantum annealing correction with minor embedding

NASA Astrophysics Data System (ADS)

Vinci, Walter; Albash, Tameem; Paz-Silva, Gerardo; Hen, Itay; Lidar, Daniel A.

2015-10-01

Quantum annealing provides a promising route for the development of quantum optimization devices, but the usefulness of such devices will be limited in part by the range of implementable problems as dictated by hardware constraints. To overcome constraints imposed by restricted connectivity between qubits, a larger set of interactions can be approximated using minor embedding techniques whereby several physical qubits are used to represent a single logical qubit. However, minor embedding introduces new types of errors due to its approximate nature. We introduce and study quantum annealing correction schemes designed to improve the performance of quantum annealers in conjunction with minor embedding, thus leading to a hybrid scheme defined over an encoded graph. We argue that this scheme can be efficiently decoded using an energy minimization technique provided the density of errors does not exceed the per-site percolation threshold of the encoded graph. We test the hybrid scheme using a D-Wave Two processor on problems for which the encoded graph is a two-level grid and the Ising model is known to be NP-hard. The problems we consider are frustrated Ising model problem instances with "planted" (a priori known) solutions. Applied in conjunction with optimized energy penalties and decoding techniques, we find that this approach enables the quantum annealer to solve minor embedded instances with significantly higher success probability than it would without error correction. Our work demonstrates that quantum annealing correction can and should be used to improve the robustness of quantum annealing not only for natively embeddable problems but also when minor embedding is used to extend the connectivity of physical devices.

Real-time community detection in full social networks on a laptop

PubMed Central

Chamberlain, Benjamin Paul; Levy-Kramer, Josh; Humby, Clive

2018-01-01

For a broad range of research and practical applications it is important to understand the allegiances, communities and structure of key players in society. One promising direction towards extracting this information is to exploit the rich relational data in digital social networks (the social graph). As global social networks (e.g., Facebook and Twitter) are very large, most approaches make use of distributed computing systems for this purpose. Distributing graph processing requires solving many difficult engineering problems, which has lead some researchers to look at single-machine solutions that are faster and easier to maintain. In this article, we present an approach for analyzing full social networks on a standard laptop, allowing for interactive exploration of the communities in the locality of a set of user specified query vertices. The key idea is that the aggregate actions of large numbers of users can be compressed into a data structure that encapsulates the edge weights between vertices in a derived graph. Local communities can be constructed by selecting vertices that are connected to the query vertices with high edge weights in the derived graph. This compression is robust to noise and allows for interactive queries of local communities in real-time, which we define to be less than the average human reaction time of 0.25s. We achieve single-machine real-time performance by compressing the neighborhood of each vertex using minhash signatures and facilitate rapid queries through Locality Sensitive Hashing. These techniques reduce query times from hours using industrial desktop machines operating on the full graph to milliseconds on standard laptops. Our method allows exploration of strongly associated regions (i.e., communities) of large graphs in real-time on a laptop. It has been deployed in software that is actively used by social network analysts and offers another channel for media owners to monetize their data, helping them to continue to provide free services that are valued by billions of people globally. PMID:29342158

Characterizing Interaction with Visual Mathematical Representations

ERIC Educational Resources Information Center

Sedig, Kamran; Sumner, Mark

2006-01-01

This paper presents a characterization of computer-based interactions by which learners can explore and investigate visual mathematical representations (VMRs). VMRs (e.g., geometric structures, graphs, and diagrams) refer to graphical representations that visually encode properties and relationships of mathematical structures and concepts.…

Multiple Semantic Matching on Augmented N-partite Graph for Object Co-segmentation.

PubMed

Wang, Chuan; Zhang, Hua; Yang, Liang; Cao, Xiaochun; Xiong, Hongkai

2017-09-08

Recent methods for object co-segmentation focus on discovering single co-occurring relation of candidate regions representing the foreground of multiple images. However, region extraction based only on low and middle level information often occupies a large area of background without the help of semantic context. In addition, seeking single matching solution very likely leads to discover local parts of common objects. To cope with these deficiencies, we present a new object cosegmentation framework, which takes advantages of semantic information and globally explores multiple co-occurring matching cliques based on an N-partite graph structure. To this end, we first propose to incorporate candidate generation with semantic context. Based on the regions extracted from semantic segmentation of each image, we design a merging mechanism to hierarchically generate candidates with high semantic responses. Secondly, all candidates are taken into consideration to globally formulate multiple maximum weighted matching cliques, which complements the discovery of part of the common objects induced by a single clique. To facilitate the discovery of multiple matching cliques, an N-partite graph, which inherently excludes intralinks between candidates from the same image, is constructed to separate multiple cliques without additional constraints. Further, we augment the graph with an additional virtual node in each part to handle irrelevant matches when the similarity between two candidates is too small. Finally, with the explored multiple cliques, we statistically compute pixel-wise co-occurrence map for each image. Experimental results on two benchmark datasets, i.e., iCoseg and MSRC datasets, achieve desirable performance and demonstrate the effectiveness of our proposed framework.

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.

Dynamic Visualization of Co-expression in Systems Genetics Data

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

New, Joshua Ryan; Huang, Jian; Chesler, Elissa J

2008-01-01

Biologists hope to address grand scientific challenges by exploring the abundance of data made available through modern microarray technology and other high-throughput techniques. The impact of this data, however, is limited unless researchers can effectively assimilate such complex information and integrate it into their daily research; interactive visualization tools are called for to support the effort. Specifically, typical studies of gene co-expression require novel visualization tools that enable the dynamic formulation and fine-tuning of hypotheses to aid the process of evaluating sensitivity of key parameters. These tools should allow biologists to develop an intuitive understanding of the structure of biologicalmore » networks and discover genes which reside in critical positions in networks and pathways. By using a graph as a universal data representation of correlation in gene expression data, our novel visualization tool employs several techniques that when used in an integrated manner provide innovative analytical capabilities. Our tool for interacting with gene co-expression data integrates techniques such as: graph layout, qualitative subgraph extraction through a novel 2D user interface, quantitative subgraph extraction using graph-theoretic algorithms or by querying an optimized b-tree, dynamic level-of-detail graph abstraction, and template-based fuzzy classification using neural networks. We demonstrate our system using a real-world workflow from a large-scale, systems genetics study of mammalian gene co-expression.« less

Chiral limit of N = 4 SYM and ABJM and integrable Feynman graphs

NASA Astrophysics Data System (ADS)

Caetano, João; Gürdoğan, Ömer; Kazakov, Vladimir

2018-03-01

We consider a special double scaling limit, recently introduced by two of the authors, combining weak coupling and large imaginary twist, for the γ-twisted N = 4 SYM theory. We also establish the analogous limit for ABJM theory. The resulting non-gauge chiral 4D and 3D theories of interacting scalars and fermions are integrable in the planar limit. In spite of the breakdown of conformality by double-trace interactions, most of the correlators for local operators of these theories are conformal, with non-trivial anomalous dimensions defined by specific, integrable Feynman diagrams. We discuss the details of this diagrammatics. We construct the doubly-scaled asymptotic Bethe ansatz (ABA) equations for multi-magnon states in these theories. Each entry of the mixing matrix of local conformal operators in the simplest of these theories — the bi-scalar model in 4D and tri-scalar model in 3D — is given by a single Feynman diagram at any given loop order. The related diagrams are in principle computable, up to a few scheme dependent constants, by integrability methods (quantum spectral curve or ABA). These constants should be fixed from direct computations of a few simplest graphs. This integrability-based method is advocated to be able to provide information about some high loop order graphs which are hardly computable by other known methods. We exemplify our approach with specific five-loop graphs.

The One Universal Graph — a free and open graph database

NASA Astrophysics Data System (ADS)

Ng, Liang S.; Champion, Corbin

2016-02-01

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

Use of Graph Database for the Integration of Heterogeneous Biological Data.

PubMed

Yoon, Byoung-Ha; Kim, Seon-Kyu; Kim, Seon-Young

2017-03-01

Understanding complex relationships among heterogeneous biological data is one of the fundamental goals in biology. In most cases, diverse biological data are stored in relational databases, such as MySQL and Oracle, which store data in multiple tables and then infer relationships by multiple-join statements. Recently, a new type of database, called the graph-based database, was developed to natively represent various kinds of complex relationships, and it is widely used among computer science communities and IT industries. Here, we demonstrate the feasibility of using a graph-based database for complex biological relationships by comparing the performance between MySQL and Neo4j, one of the most widely used graph databases. We collected various biological data (protein-protein interaction, drug-target, gene-disease, etc.) from several existing sources, removed duplicate and redundant data, and finally constructed a graph database containing 114,550 nodes and 82,674,321 relationships. When we tested the query execution performance of MySQL versus Neo4j, we found that Neo4j outperformed MySQL in all cases. While Neo4j exhibited a very fast response for various queries, MySQL exhibited latent or unfinished responses for complex queries with multiple-join statements. These results show that using graph-based databases, such as Neo4j, is an efficient way to store complex biological relationships. Moreover, querying a graph database in diverse ways has the potential to reveal novel relationships among heterogeneous biological data.

Use of Graph Database for the Integration of Heterogeneous Biological Data

PubMed Central

Yoon, Byoung-Ha; Kim, Seon-Kyu

2017-01-01

Understanding complex relationships among heterogeneous biological data is one of the fundamental goals in biology. In most cases, diverse biological data are stored in relational databases, such as MySQL and Oracle, which store data in multiple tables and then infer relationships by multiple-join statements. Recently, a new type of database, called the graph-based database, was developed to natively represent various kinds of complex relationships, and it is widely used among computer science communities and IT industries. Here, we demonstrate the feasibility of using a graph-based database for complex biological relationships by comparing the performance between MySQL and Neo4j, one of the most widely used graph databases. We collected various biological data (protein-protein interaction, drug-target, gene-disease, etc.) from several existing sources, removed duplicate and redundant data, and finally constructed a graph database containing 114,550 nodes and 82,674,321 relationships. When we tested the query execution performance of MySQL versus Neo4j, we found that Neo4j outperformed MySQL in all cases. While Neo4j exhibited a very fast response for various queries, MySQL exhibited latent or unfinished responses for complex queries with multiple-join statements. These results show that using graph-based databases, such as Neo4j, is an efficient way to store complex biological relationships. Moreover, querying a graph database in diverse ways has the potential to reveal novel relationships among heterogeneous biological data. PMID:28416946

Granular Flow Graph, Adaptive Rule Generation and Tracking.

PubMed

Pal, Sankar Kumar; Chakraborty, Debarati Bhunia

2017-12-01

A new method of adaptive rule generation in granular computing framework is described based on rough rule base and granular flow graph, and applied for video tracking. In the process, several new concepts and operations are introduced, and methodologies formulated with superior performance. The flow graph enables in defining an intelligent technique for rule base adaptation where its characteristics in mapping the relevance of attributes and rules in decision-making system are exploited. Two new features, namely, expected flow graph and mutual dependency between flow graphs are defined to make the flow graph applicable in the tasks of both training and validation. All these techniques are performed in neighborhood granular level. A way of forming spatio-temporal 3-D granules of arbitrary shape and size is introduced. The rough flow graph-based adaptive granular rule-based system, thus produced for unsupervised video tracking, is capable of handling the uncertainties and incompleteness in frames, able to overcome the incompleteness in information that arises without initial manual interactions and in providing superior performance and gaining in computation time. The cases of partial overlapping and detecting the unpredictable changes are handled efficiently. It is shown that the neighborhood granulation provides a balanced tradeoff between speed and accuracy as compared to pixel level computation. The quantitative indices used for evaluating the performance of tracking do not require any information on ground truth as in the other methods. Superiority of the algorithm to nonadaptive and other recent ones is demonstrated extensively.

miniTri Mantevo miniapp v. 1.0

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

Berry, Johathan; Stark, Dylan; Wolf, Michael

2016-02-02

miniTri is a miniapplication developed as part of the Mantevo project. Given a graph, miniTri enumerates all triangles in this graph and computes a metric for each triangle based on the triangle edge and vertex degree. The output of miniTri is a summary of this metric. miniTri mimics the computational requirements of an important set of data science applications. Several approaches to this problem are included in the miniTri software.

Prediction of allosteric sites and mediating interactions through bond-to-bond propensities

NASA Astrophysics Data System (ADS)

Amor, B. R. C.; Schaub, M. T.; Yaliraki, S. N.; Barahona, M.

2016-08-01

Allostery is a fundamental mechanism of biological regulation, in which binding of a molecule at a distant location affects the active site of a protein. Allosteric sites provide targets to fine-tune protein activity, yet we lack computational methodologies to predict them. Here we present an efficient graph-theoretical framework to reveal allosteric interactions (atoms and communication pathways strongly coupled to the active site) without a priori information of their location. Using an atomistic graph with energy-weighted covalent and weak bonds, we define a bond-to-bond propensity quantifying the non-local effect of instantaneous bond fluctuations propagating through the protein. Significant interactions are then identified using quantile regression. We exemplify our method with three biologically important proteins: caspase-1, CheY, and h-Ras, correctly predicting key allosteric interactions, whose significance is additionally confirmed against a reference set of 100 proteins. The almost-linear scaling of our method renders it suitable for high-throughput searches for candidate allosteric sites.

Prediction of allosteric sites and mediating interactions through bond-to-bond propensities

PubMed Central

Amor, B. R. C.; Schaub, M. T.; Yaliraki, S. N.; Barahona, M.

2016-01-01

Allostery is a fundamental mechanism of biological regulation, in which binding of a molecule at a distant location affects the active site of a protein. Allosteric sites provide targets to fine-tune protein activity, yet we lack computational methodologies to predict them. Here we present an efficient graph-theoretical framework to reveal allosteric interactions (atoms and communication pathways strongly coupled to the active site) without a priori information of their location. Using an atomistic graph with energy-weighted covalent and weak bonds, we define a bond-to-bond propensity quantifying the non-local effect of instantaneous bond fluctuations propagating through the protein. Significant interactions are then identified using quantile regression. We exemplify our method with three biologically important proteins: caspase-1, CheY, and h-Ras, correctly predicting key allosteric interactions, whose significance is additionally confirmed against a reference set of 100 proteins. The almost-linear scaling of our method renders it suitable for high-throughput searches for candidate allosteric sites. PMID:27561351

Graph distance for complex networks

NASA Astrophysics Data System (ADS)

Shimada, Yutaka; Hirata, Yoshito; Ikeguchi, Tohru; Aihara, Kazuyuki

2016-10-01

Networks are widely used as a tool for describing diverse real complex systems and have been successfully applied to many fields. The distance between networks is one of the most fundamental concepts for properly classifying real networks, detecting temporal changes in network structures, and effectively predicting their temporal evolution. However, this distance has rarely been discussed in the theory of complex networks. Here, we propose a graph distance between networks based on a Laplacian matrix that reflects the structural and dynamical properties of networked dynamical systems. Our results indicate that the Laplacian-based graph distance effectively quantifies the structural difference between complex networks. We further show that our approach successfully elucidates the temporal properties underlying temporal networks observed in the context of face-to-face human interactions.

RelFinder: Revealing Relationships in RDF Knowledge Bases

NASA Astrophysics Data System (ADS)

Heim, Philipp; Hellmann, Sebastian; Lehmann, Jens; Lohmann, Steffen; Stegemann, Timo

The Semantic Web has recently seen a rise of large knowledge bases (such as DBpedia) that are freely accessible via SPARQL endpoints. The structured representation of the contained information opens up new possibilities in the way it can be accessed and queried. In this paper, we present an approach that extracts a graph covering relationships between two objects of interest. We show an interactive visualization of this graph that supports the systematic analysis of the found relationships by providing highlighting, previewing, and filtering features.

Methodology for testing and validating knowledge bases

NASA Technical Reports Server (NTRS)

Krishnamurthy, C.; Padalkar, S.; Sztipanovits, J.; Purves, B. R.

1987-01-01

A test and validation toolset developed for artificial intelligence programs is described. The basic premises of this method are: (1) knowledge bases have a strongly declarative character and represent mostly structural information about different domains, (2) the conditions for integrity, consistency, and correctness can be transformed into structural properties of knowledge bases, and (3) structural information and structural properties can be uniformly represented by graphs and checked by graph algorithms. The interactive test and validation environment have been implemented on a SUN workstation.

Simulation of streamflows and basin-wide hydrologic variables over several climate-change scenarios, Methow River basin, Washington

USGS Publications Warehouse

Voss, Frank D.; Mastin, Mark C.

2012-01-01

A database was developed to automate model execution and to provide users with Internet access to voluminous data products ranging from summary figures to model output timeseries. Database-enabled Internet tools were developed to allow users to create interactive graphs of output results based on their analysis needs. For example, users were able to create graphs by selecting time intervals, greenhouse gas emission scenarios, general circulation models, and specific hydrologic variables.

Language in the brain at rest: new insights from resting state data and graph theoretical analysis

PubMed Central

Muller, Angela M.; Meyer, Martin

2014-01-01

In humans, the most obvious functional lateralization is the specialization of the left hemisphere for language. Therefore, the involvement of the right hemisphere in language is one of the most remarkable findings during the last two decades of fMRI research. However, the importance of this finding continues to be underestimated. We examined the interaction between the two hemispheres and also the role of the right hemisphere in language. From two seeds representing Broca's area, we conducted a seed correlation analysis (SCA) of resting state fMRI data and could identify a resting state network (RSN) overlapping to significant extent with a language network that was generated by an automated meta-analysis tool. To elucidate the relationship between the clusters of this RSN, we then performed graph theoretical analyses (GTA) using the same resting state dataset. We show that the right hemisphere is clearly involved in language. A modularity analysis revealed that the interaction between the two hemispheres is mediated by three partitions: A bilateral frontal partition consists of nodes representing the classical left sided language regions as well as two right-sided homologs. The second bilateral partition consists of nodes from the right frontal, the left inferior parietal cortex as well as of two nodes within the posterior cerebellum. The third partition is also bilateral and comprises five regions from the posterior midline parts of the brain to the temporal and frontal cortex, two of the nodes are prominent default mode nodes. The involvement of this last partition in a language relevant function is a novel finding. PMID:24808843

Exactly solvable random graph ensemble with extensively many short cycles

NASA Astrophysics Data System (ADS)

Aguirre López, Fabián; Barucca, Paolo; Fekom, Mathilde; Coolen, Anthony C. C.

2018-02-01

We introduce and analyse ensembles of 2-regular random graphs with a tuneable distribution of short cycles. The phenomenology of these graphs depends critically on the scaling of the ensembles’ control parameters relative to the number of nodes. A phase diagram is presented, showing a second order phase transition from a connected to a disconnected phase. We study both the canonical formulation, where the size is large but fixed, and the grand canonical formulation, where the size is sampled from a discrete distribution, and show their equivalence in the thermodynamical limit. We also compute analytically the spectral density, which consists of a discrete set of isolated eigenvalues, representing short cycles, and a continuous part, representing cycles of diverging size.

JSXGraph--Dynamic Mathematics with JavaScript

ERIC Educational Resources Information Center

Gerhauser, Michael; Valentin, Bianca; Wassermann, Alfred

2010-01-01

Since Java applets seem to be on the retreat in web application, other approaches for displaying interactive mathematics in the web browser are needed. One such alternative could be our open-source project JSXGraph. It is a cross-browser library for displaying interactive geometry, function plotting, graphs, and data visualization in a web…

Evolutionary dynamics on graphs: Efficient method for weak selection

NASA Astrophysics Data System (ADS)

Fu, Feng; Wang, Long; Nowak, Martin A.; Hauert, Christoph

2009-04-01

Investigating the evolutionary dynamics of game theoretical interactions in populations where individuals are arranged on a graph can be challenging in terms of computation time. Here, we propose an efficient method to study any type of game on arbitrary graph structures for weak selection. In this limit, evolutionary game dynamics represents a first-order correction to neutral evolution. Spatial correlations can be empirically determined under neutral evolution and provide the basis for formulating the game dynamics as a discrete Markov process by incorporating a detailed description of the microscopic dynamics based on the neutral correlations. This framework is then applied to one of the most intriguing questions in evolutionary biology: the evolution of cooperation. We demonstrate that the degree heterogeneity of a graph impedes cooperation and that the success of tit for tat depends not only on the number of rounds but also on the degree of the graph. Moreover, considering the mutation-selection equilibrium shows that the symmetry of the stationary distribution of states under weak selection is skewed in favor of defectors for larger selection strengths. In particular, degree heterogeneity—a prominent feature of scale-free networks—generally results in a more pronounced increase in the critical benefit-to-cost ratio required for evolution to favor cooperation as compared to regular graphs. This conclusion is corroborated by an analysis of the effects of population structures on the fixation probabilities of strategies in general 2×2 games for different types of graphs. Computer simulations confirm the predictive power of our method and illustrate the improved accuracy as compared to previous studies.

Multiple kernels learning-based biological entity relationship extraction method.

PubMed

Dongliang, Xu; Jingchang, Pan; Bailing, Wang

2017-09-20

Automatic extracting protein entity interaction information from biomedical literature can help to build protein relation network and design new drugs. There are more than 20 million literature abstracts included in MEDLINE, which is the most authoritative textual database in the field of biomedicine, and follow an exponential growth over time. This frantic expansion of the biomedical literature can often be difficult to absorb or manually analyze. Thus efficient and automated search engines are necessary to efficiently explore the biomedical literature using text mining techniques. The P, R, and F value of tag graph method in Aimed corpus are 50.82, 69.76, and 58.61%, respectively. The P, R, and F value of tag graph kernel method in other four evaluation corpuses are 2-5% higher than that of all-paths graph kernel. And The P, R and F value of feature kernel and tag graph kernel fuse methods is 53.43, 71.62 and 61.30%, respectively. The P, R and F value of feature kernel and tag graph kernel fuse methods is 55.47, 70.29 and 60.37%, respectively. It indicated that the performance of the two kinds of kernel fusion methods is better than that of simple kernel. In comparison with the all-paths graph kernel method, the tag graph kernel method is superior in terms of overall performance. Experiments show that the performance of the multi-kernels method is better than that of the three separate single-kernel method and the dual-mutually fused kernel method used hereof in five corpus sets.

Vibrational Markovian modelling of footprints after the interaction of antibiotics with the packaging region of HIV type 1.

PubMed

Díaz, Humberto González; de Armas, Ronal Ramos; Molina, Reinaldo

2003-11-01

The design of novel anti-HIV compounds has now become a crucial area for scientists working in numerous interrelated fields of science such as molecular biology, medicinal chemistry, mathematical biology, molecular modelling and bioinformatics. In this context, the development of simple but physically meaningful mathematical models to represent the interaction between anti-HIV drugs and their biological targets is of major interest. One such area currently under investigation involves the targets in the HIV-RNA-packaging region. In the work described here, we applied Markov chain theory in an attempt to describe the interaction between the antibiotic paromomycin and the packaging region of the RNA in Type-1 HIV. In this model, a nucleic acid squeezed graph is used. The vertices of the graph represent the nucleotides while the edges are the phosphodiester bonds. A stochastic (Markovian) matrix was subsequently defined on this graph, an operation that codifies the probabilities of interaction between specific nucleotides of HIV-RNA and the antibiotic. The strength of these local interactions can be calculated through an inelastic vibrational model. The successive power of this matrix codifies the probabilities with which the vibrations after drug-RNA interactions vanish along the polynucleotide main chain. The sums of self-return probabilities in the k-vicinity of each nucleotide represent physically meaningful descriptors. A linear discriminant function was developed and gave rise to excellent discrimination in 80.8% of interacting and footprinted nucleotides. The Jackknife method was employed to assess the stability and predictability of the model. On the other hand, a linear regression model predicted the local binding affinity constants between a specific nucleotide and the antibiotic (R(2)=0.91, Q(2)=0.86). These kinds of models could play an important role either in the discovery of new anti-HIV compounds or the study of their mode of action.

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.

Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

NASA Astrophysics Data System (ADS)

Cheng, Shaobo; Zhang, Dong; Deng, Shiqing; Li, Xing; Li, Jun; Tan, Guotai; Zhu, Yimei; Zhu, Jing

2018-04-01

Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. Herein, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by a genus model from a higher dimension in the graph theory. Our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.

Functional neural networks of honesty and dishonesty in children: Evidence from graph theory analysis.

PubMed

Ding, Xiao Pan; Wu, Si Jia; Liu, Jiangang; Fu, Genyue; Lee, Kang

2017-09-21

The present study examined how different brain regions interact with each other during spontaneous honest vs. dishonest communication. More specifically, we took a complex network approach based on the graph-theory to analyze neural response data when children are spontaneously engaged in honest or dishonest acts. Fifty-nine right-handed children between 7 and 12 years of age participated in the study. They lied or told the truth out of their own volition. We found that lying decreased both the global and local efficiencies of children's functional neural network. This finding, for the first time, suggests that lying disrupts the efficiency of children's cortical network functioning. Further, it suggests that the graph theory based network analysis is a viable approach to study the neural development of deception.

Using graph theory to analyze biological networks

PubMed Central

2011-01-01

Understanding complex systems often requires a bottom-up analysis towards a systems biology approach. The need to investigate a system, not only as individual components but as a whole, emerges. This can be done by examining the elementary constituents individually and then how these are connected. The myriad components of a system and their interactions are best characterized as networks and they are mainly represented as graphs where thousands of nodes are connected with thousands of vertices. In this article we demonstrate approaches, models and methods from the graph theory universe and we discuss ways in which they can be used to reveal hidden properties and features of a network. This network profiling combined with knowledge extraction will help us to better understand the biological significance of the system. PMID:21527005

Gaps in the spectrum of a periodic quantum graph with periodically distributed \\delta ^{\\prime} -type interactions

NASA Astrophysics Data System (ADS)

Barseghyan, Diana; Khrabustovskyi, Andrii

2015-06-01

We consider a family of quantum graphs {{\\{(Γ ,{{A}\\varepsilon })\\}}\\varepsilon \\gt 0}, where Γ is a {{{Z}}n}-periodic metric graph and the periodic Hamiltonian {{A}\\varepsilon } is defined by the operation -{{\\varepsilon }-1}\\frac{{{d}2}}{d{{x}2}} on the edges of Γ and either δ \\prime -type conditions or the Kirchhoff conditions at its vertices. Here \\varepsilon \\gt 0 is a small parameter. We show that the spectrum of {{A}\\varepsilon } has at least m gaps as \\varepsilon \\to 0 (m\\in {N} is a predefined number), moreover the location of these gaps can be nicely controlled via a suitable choice of the geometry of Γ and of coupling constants involved in δ \\prime -type conditions.

Corrected Mean-Field Model for Random Sequential Adsorption on Random Geometric Graphs

NASA Astrophysics Data System (ADS)

Dhara, Souvik; van Leeuwaarden, Johan S. H.; Mukherjee, Debankur

2018-03-01

A notorious problem in mathematics and physics is to create a solvable model for random sequential adsorption of non-overlapping congruent spheres in the d-dimensional Euclidean space with d≥ 2 . Spheres arrive sequentially at uniformly chosen locations in space and are accepted only when there is no overlap with previously deposited spheres. Due to spatial correlations, characterizing the fraction of accepted spheres remains largely intractable. We study this fraction by taking a novel approach that compares random sequential adsorption in Euclidean space to the nearest-neighbor blocking on a sequence of clustered random graphs. This random network model can be thought of as a corrected mean-field model for the interaction graph between the attempted spheres. Using functional limit theorems, we characterize the fraction of accepted spheres and its fluctuations.

High performance semantic factoring of giga-scale semantic graph databases.

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

al-Saffar, Sinan; Adolf, Bob; Haglin, David

2010-10-01

As semantic graph database technology grows to address components ranging from extant large triple stores to SPARQL endpoints over SQL-structured relational databases, it will become increasingly important to be able to bring high performance computational resources to bear on their analysis, interpretation, and visualization, especially with respect to their innate semantic structure. Our research group built a novel high performance hybrid system comprising computational capability for semantic graph database processing utilizing the large multithreaded architecture of the Cray XMT platform, conventional clusters, and large data stores. In this paper we describe that architecture, and present the results of our deployingmore » that for the analysis of the Billion Triple dataset with respect to its semantic factors, including basic properties, connected components, namespace interaction, and typed paths.« less

Information Extraction for System-Software Safety Analysis: Calendar Year 2008 Year-End Report

NASA Technical Reports Server (NTRS)

Malin, Jane T.

2009-01-01

This annual report describes work to integrate a set of tools to support early model-based analysis of failures and hazards due to system-software interactions. The tools perform and assist analysts in the following tasks: 1) extract model parts from text for architecture and safety/hazard models; 2) combine the parts with library information to develop the models for visualization and analysis; 3) perform graph analysis and simulation to identify and evaluate possible paths from hazard sources to vulnerable entities and functions, in nominal and anomalous system-software configurations and scenarios; and 4) identify resulting candidate scenarios for software integration testing. There has been significant technical progress in model extraction from Orion program text sources, architecture model derivation (components and connections) and documentation of extraction sources. Models have been derived from Internal Interface Requirements Documents (IIRDs) and FMEA documents. Linguistic text processing is used to extract model parts and relationships, and the Aerospace Ontology also aids automated model development from the extracted information. Visualizations of these models assist analysts in requirements overview and in checking consistency and completeness.

Interactive and scale invariant segmentation of the rectum/sigmoid via user-defined templates

NASA Astrophysics Data System (ADS)

Lüddemann, Tobias; Egger, Jan

2016-03-01

Among all types of cancer, gynecological malignancies belong to the 4th most frequent type of cancer among women. Besides chemotherapy and external beam radiation, brachytherapy is the standard procedure for the treatment of these malignancies. In the progress of treatment planning, localization of the tumor as the target volume and adjacent organs of risks by segmentation is crucial to accomplish an optimal radiation distribution to the tumor while simultaneously preserving healthy tissue. Segmentation is performed manually and represents a time-consuming task in clinical daily routine. This study focuses on the segmentation of the rectum/sigmoid colon as an Organ-At-Risk in gynecological brachytherapy. The proposed segmentation method uses an interactive, graph-based segmentation scheme with a user-defined template. The scheme creates a directed two dimensional graph, followed by the minimal cost closed set computation on the graph, resulting in an outlining of the rectum. The graphs outline is dynamically adapted to the last calculated cut. Evaluation was performed by comparing manual segmentations of the rectum/sigmoid colon to results achieved with the proposed method. The comparison of the algorithmic to manual results yielded to a Dice Similarity Coefficient value of 83.85+/-4.08%, in comparison to 83.97+/-8.08% for the comparison of two manual segmentations of the same physician. Utilizing the proposed methodology resulted in a median time of 128 seconds per dataset, compared to 300 seconds needed for pure manual segmentation.

Information extraction and knowledge graph construction from geoscience literature

NASA Astrophysics Data System (ADS)

Wang, Chengbin; Ma, Xiaogang; Chen, Jianguo; Chen, Jingwen

2018-03-01

Geoscience literature published online is an important part of open data, and brings both challenges and opportunities for data analysis. Compared with studies of numerical geoscience data, there are limited works on information extraction and knowledge discovery from textual geoscience data. This paper presents a workflow and a few empirical case studies for that topic, with a focus on documents written in Chinese. First, we set up a hybrid corpus combining the generic and geology terms from geology dictionaries to train Chinese word segmentation rules of the Conditional Random Fields model. Second, we used the word segmentation rules to parse documents into individual words, and removed the stop-words from the segmentation results to get a corpus constituted of content-words. Third, we used a statistical method to analyze the semantic links between content-words, and we selected the chord and bigram graphs to visualize the content-words and their links as nodes and edges in a knowledge graph, respectively. The resulting graph presents a clear overview of key information in an unstructured document. This study proves the usefulness of the designed workflow, and shows the potential of leveraging natural language processing and knowledge graph technologies for geoscience.

Path-sum solution of the Weyl quantum walk in 3 + 1 dimensions

NASA Astrophysics Data System (ADS)

D'Ariano, G. M.; Mosco, N.; Perinotti, P.; Tosini, A.

2017-10-01

We consider the Weyl quantum walk in 3+1 dimensions, that is a discrete-time walk describing a particle with two internal degrees of freedom moving on a Cayley graph of the group , which in an appropriate regime evolves according to Weyl's equation. The Weyl quantum walk was recently derived as the unique unitary evolution on a Cayley graph of that is homogeneous and isotropic. The general solution of the quantum walk evolution is provided here in the position representation, by the analytical expression of the propagator, i.e. transition amplitude from a node of the graph to another node in a finite number of steps. The quantum nature of the walk manifests itself in the interference of the paths on the graph joining the given nodes. The solution is based on the binary encoding of the admissible paths on the graph and on the semigroup structure of the walk transition matrices. This article is part of the themed issue `Second quantum revolution: foundational questions'.

Dynamic replanning of 3D automated reconstruction using situation graph trees and illumination adjustment

NASA Astrophysics Data System (ADS)

Kohler, Sophie; Far, Aïcha Beya; Hirsch, Ernest

2007-01-01

This paper presents an original approach for the optimal 3D reconstruction of manufactured workpieces based on a priori planification of the task, enhanced on-line through dynamic adjustment of the lighting conditions, and built around a cognitive intelligent sensory system using so-called Situation Graph Trees. The system takes explicitely structural knowledge related to image acquisition conditions, type of illumination sources, contents of the scene (e. g., CAD models and tolerance information), etc. into account. The principle of the approach relies on two steps. First, a socalled initialization phase, leading to the a priori task plan, collects this structural knowledge. This knowledge is conveniently encoded, as a sub-part, in the Situation Graph Tree building the backbone of the planning system specifying exhaustively the behavior of the application. Second, the image is iteratively evaluated under the control of this Situation Graph Tree. The information describing the quality of the piece to analyze is thus extracted and further exploited for, e. g., inspection tasks. Lastly, the approach enables dynamic adjustment of the Situation Graph Tree, enabling the system to adjust itself to the actual application run-time conditions, thus providing the system with a self-learning capability.

Precalculus teachers' perspectives on using graphing calculators: an example from one curriculum

NASA Astrophysics Data System (ADS)

Karadeniz, Ilyas; Thompson, Denisse R.

2018-01-01

Graphing calculators are hand-held technological tools currently used in mathematics classrooms. Teachers' perspectives on using graphing calculators are important in terms of exploring what teachers think about using such technology in advanced mathematics courses, particularly precalculus courses. A descriptive intrinsic case study was conducted to analyse the perspectives of 11 teachers using graphing calculators with potential Computer Algebra System (CAS) capability while teaching Functions, Statistics, and Trigonometry, a precalculus course for 11th-grade students developed by the University of Chicago School Mathematics Project. Data were collected from multiple sources as part of a curriculum evaluation study conducted during the 2007-2008 school year. Although all teachers were using the same curriculum that integrated CAS into the instructional materials, teachers had mixed views about the technology. Graphing calculator features were used much more than CAS features, with many teachers concerned about the use of CAS because of pressures from external assessments. In addition, several teachers found it overwhelming to learn a new technology at the same time they were learning a new curriculum. The results have implications for curriculum developers and others working with teachers to update curriculum and the use of advanced technologies simultaneously.

Classification of pregnancy and labor contractions using a graph theory based analysis.

PubMed

Nader, N; Hassan, M; Falou, W; Diab, A; Al-Omar, S; Khalil, M; Marque, C

2015-08-01

In this paper, we propose a new framework to characterize the electrohysterographic (EHG) signals recorded during pregnancy and labor. The approach is based on the analysis of the propagation of the uterine electrical activity. The processing pipeline includes i) the estimation of the statistical dependencies between the different recorded EHG signals, ii) the characterization of the obtained connectivity matrices using network measures and iii) the use of these measures in clinical application: the classification between pregnancy and labor. Due to its robustness to volume conductor, we used the imaginary part of coherence in order to produce the connectivity matrix which is then transformed into a graph. We evaluate the performance of several graph measures. We also compare the results with the parameter mostly used in the literature: the peak frequency combined with the propagation velocity (PV +PF). Our results show that the use of the network measures is a promising tool to classify labor and pregnancy contractions with a small superiority of the graph strength over PV+PF.

Parallel program debugging with flowback analysis

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

Choi, Jongdeok.

1989-01-01

This thesis describes the design and implementation of an integrated debugging system for parallel programs running on shared memory multi-processors. The goal of the debugging system is to present to the programmer a graphical view of the dynamic program dependences while keeping the execution-time overhead low. The author first describes the use of flowback analysis to provide information on causal relationship between events in a programs' execution without re-executing the program for debugging. Execution time overhead is kept low by recording only a small amount of trace during a program's execution. He uses semantic analysis and a technique called incrementalmore » tracing to keep the time and space overhead low. As part of the semantic analysis, he uses a static program dependence graph structure that reduces the amount of work done at compile time and takes advantage of the dynamic information produced during execution time. The cornerstone of the incremental tracing concept is to generate a coarse trace during execution and fill incrementally, during the interactive portion of the debugging session, the gap between the information gathered in the coarse trace and the information needed to do the flowback analysis using the coarse trace. Then, he describes how to extend the flowback analysis to parallel programs. The flowback analysis can span process boundaries; i.e., the most recent modification to a shared variable might be traced to a different process than the one that contains the current reference. The static and dynamic program dependence graphs of the individual processes are tied together with synchronization and data dependence information to form complete graphs that represent the entire program.« less

Study of cryogenic propellant systems for loading the space shuttle. Part 2: Hydrogen systems

NASA Technical Reports Server (NTRS)

Steward, W. G.

1975-01-01

Computer simulation studies of liquid hydrogen fill and vent systems for the space shuttle are studied. The computer programs calculate maximum and minimum permissible flow rates during cooldown as limited by thermal stress considerations, fill line cooldown time, pressure drop, flow rates, vapor content, vent line pressure drop and vent line discharge temperature. The input data for these programs are selected through graphic displays which schematically depict the part of the system being analyzed. The computed output is also displayed in the form of printed messages and graphs. Digital readouts of graph coordinates may also be obtained. Procedures are given for operation of the graphic display unit and the associated minicomputer and timesharing computer.

Semantics based approach for analyzing disease-target associations.

PubMed

Kaalia, Rama; Ghosh, Indira

2016-08-01

A complex disease is caused by heterogeneous biological interactions between genes and their products along with the influence of environmental factors. There have been many attempts for understanding the cause of these diseases using experimental, statistical and computational methods. In the present work the objective is to address the challenge of representation and integration of information from heterogeneous biomedical aspects of a complex disease using semantics based approach. Semantic web technology is used to design Disease Association Ontology (DAO-db) for representation and integration of disease associated information with diabetes as the case study. The functional associations of disease genes are integrated using RDF graphs of DAO-db. Three semantic web based scoring algorithms (PageRank, HITS (Hyperlink Induced Topic Search) and HITS with semantic weights) are used to score the gene nodes on the basis of their functional interactions in the graph. Disease Association Ontology for Diabetes (DAO-db) provides a standard ontology-driven platform for describing genes, proteins, pathways involved in diabetes and for integrating functional associations from various interaction levels (gene-disease, gene-pathway, gene-function, gene-cellular component and protein-protein interactions). An automatic instance loader module is also developed in present work that helps in adding instances to DAO-db on a large scale. Our ontology provides a framework for querying and analyzing the disease associated information in the form of RDF graphs. The above developed methodology is used to predict novel potential targets involved in diabetes disease from the long list of loose (statistically associated) gene-disease associations. Copyright © 2016 Elsevier Inc. All rights reserved.

A model study of tunneling conductance spectra of ferromagnetically ordered manganites

NASA Astrophysics Data System (ADS)

Panda, Saswati; Kar, J. K.; Rout, G. C.

2018-02-01

We report here the interplay of ferromagnetism (FM) and charge density wave (CDW) in manganese oxide systems through the study of tunneling conductance spectra. The model Hamiltonian consists of strong Heisenberg coupling in core t2g band electrons within mean-field approximation giving rise to ferromagnetism. Ferromagnetism is induced in the itinerant eg electrons due to Kubo-Ohata type double exchange (DE) interaction among the t2g and eg electrons. The charge ordering (CO) present in the eg band giving rise to CDW interaction is considered as the extra-mechanism to explain the colossal magnetoresistance (CMR) property of manganites. The magnetic and CDW order parameters are calculated using Zubarev's Green's function technique and solved self-consistently and numerically. The eg electron density of states (DOS) calculated from the imaginary part of the Green's function explains the experimentally observed tunneling conductance spectra. The DOS graph exhibits a parabolic gap near the Fermi energy as observed in tunneling conductance spectra experiments.

A study of the dynamics of multi-player games on small networks using territorial interactions.

PubMed

Broom, Mark; Lafaye, Charlotte; Pattni, Karan; Rychtář, Jan

2015-12-01

Recently, the study of structured populations using models of evolutionary processes on graphs has begun to incorporate a more general type of interaction between individuals, allowing multi-player games to be played among the population. In this paper, we develop a birth-death dynamics for use in such models and consider the evolution of populations for special cases of very small graphs where we can easily identify all of the population states and carry out exact analyses. To do so, we study two multi-player games, a Hawk-Dove game and a public goods game. Our focus is on finding the fixation probability of an individual from one type, cooperator or defector in the case of the public goods game, within a population of the other type. We compare this value for both games on several graphs under different parameter values and assumptions, and identify some interesting general features of our model. In particular there is a very close relationship between the fixation probability and the mean temperature, with high temperatures helping fitter individuals and punishing unfit ones and so enhancing selection, whereas low temperatures give a levelling effect which suppresses selection.

Graph theory in brain-to-brain connectivity: A simulation study and an application to an EEG hyperscanning experiment.

PubMed

Toppi, J; Ciaramidaro, A; Vogel, P; Mattia, D; Babiloni, F; Siniatchkin, M; Astolfi, L

2015-08-01

Hyperscanning consists in the simultaneous recording of hemodynamic or neuroelectrical signals from two or more subjects acting in a social context. Well-established methodologies for connectivity estimation have already been adapted to hyperscanning purposes. The extension of graph theory approach to multi-subjects case is still a challenging issue. In the present work we aim to test the ability of the currently used graph theory global indices in describing the properties of a network given by two interacting subjects. The testing was conducted first on surrogate brain-to-brain networks reproducing typical social scenarios and then on real EEG hyperscanning data recorded during a Joint Action task. The results of the simulation study highlighted the ability of all the investigated indexes in modulating their values according to the level of interaction between subjects. However, only global efficiency and path length indexes demonstrated to be sensitive to an asymmetry in the communication between the two subjects. Such results were, then, confirmed by the application on real EEG data. Global efficiency modulated, in fact, their values according to the inter-brain density, assuming higher values in the social condition with respect to the non-social condition.

Applying graphs and complex networks to football metric interpretation.

PubMed

Arriaza-Ardiles, E; Martín-González, J M; Zuniga, M D; Sánchez-Flores, J; de Saa, Y; García-Manso, J M

2018-02-01

This work presents a methodology for analysing the interactions between players in a football team, from the point of view of graph theory and complex networks. We model the complex network of passing interactions between players of a same team in 32 official matches of the Liga de Fútbol Profesional (Spain), using a passing/reception graph. This methodology allows us to understand the play structure of the team, by analysing the offensive phases of game-play. We utilise two different strategies for characterising the contribution of the players to the team: the clustering coefficient, and centrality metrics (closeness and betweenness). We show the application of this methodology by analyzing the performance of a professional Spanish team according to these metrics and the distribution of passing/reception in the field. Keeping in mind the dynamic nature of collective sports, in the future we will incorporate metrics which allows us to analyse the performance of the team also according to the circumstances of game-play and to different contextual variables such as, the utilisation of the field space, the time, and the ball, according to specific tactical situations. Copyright © 2017 Elsevier B.V. All rights reserved.

Measuring Primary Students' Graph Interpretation Skills Via a Performance Assessment: A case study in instrument development

NASA Astrophysics Data System (ADS)

Peterman, Karen; Cranston, Kayla A.; Pryor, Marie; Kermish-Allen, Ruth

2015-11-01

This case study was conducted within the context of a place-based education project that was implemented with primary school students in the USA. The authors and participating teachers created a performance assessment of standards-aligned tasks to examine 6-10-year-old students' graph interpretation skills as part of an exploratory research project. Fifty-five students participated in a performance assessment interview at the beginning and end of a place-based investigation. Two forms of the assessment were created and counterbalanced within class at pre and post. In situ scoring was conducted such that responses were scored as correct versus incorrect during the assessment's administration. Criterion validity analysis demonstrated an age-level progression in student scores. Tests of discriminant validity showed that the instrument detected variability in interpretation skills across each of three graph types (line, bar, dot plot). Convergent validity was established by correlating in situ scores with those from the Graph Interpretation Scoring Rubric. Students' proficiency with interpreting different types of graphs matched expectations based on age and the standards-based progression of graphs across primary school grades. The assessment tasks were also effective at detecting pre-post gains in students' interpretation of line graphs and dot plots after the place-based project. The results of the case study are discussed in relation to the common challenges associated with performance assessment. Implications are presented in relation to the need for authentic and performance-based instructional and assessment tasks to respond to the Common Core State Standards and the Next Generation Science Standards.

Analyzing Evolving Social Network 2 (EVOLVE2)

DTIC Science & Technology

2015-04-01

Facebook friendship graph. We simulated two different interaction models: one-to-one and one-to-many interactions . Both types of models revealed...to an unbiased random walk on the reweighed “ interaction graph” W with entries wij = αiAijαj . The generalized Laplacian framework is flexible enough...Information Intelligence Systems & Analysis Division Information Directorate This report is published in the interest of scientific and technical

RoleSim and RoleMatch: Role-Based Similarity and Graph Matching

ERIC Educational Resources Information Center

Lee, Victor Eugene

2012-01-01

With the rise of the internet, mobile communications, electronic transactions, and personal broadcasting, the scale of connectedness has grown immensely. Not only can an individual interact with thousands and millions of others, but details about those interactions are being stored in databases, for later retrieval and analysis. Two key concepts…

DiffSLc: A graph centrality method to detect essential proteins of a protein-protein interaction network

USDA-ARS?s Scientific Manuscript database

Network centrality measures prioritize nodes and edges based on their importance to the network topology. These measures have been helpful in identifying critical genes and proteins in biomolecular networks. The proposed centrality measure DiffSLc uses the number of interactions of a protein and gen...

Automatic Generation of Issue Maps: Structured, Interactive Outputs for Complex Information Needs

DTIC Science & Technology

2012-09-01

much can result in behaviour similar to the shortest-path chains. 24 Ronald Goldman Neil Lewis Judge Lance Ito 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 jury...Connecting the Dots has also been explored in non-textual domains. The authors of [ Heath et al., 2010] propose building graphs, called Image Webs, to...could imagine a metro map summarizing a dataset of medical records. 2. Images: In [ Heath et al., 2010], Heath et al build graphs called Image Webs to rep

International Space Station Centrifuge Rotor Models A Comparison of the Euler-Lagrange and the Bond Graph Modeling Approach

NASA Technical Reports Server (NTRS)

Nguyen, Louis H.; Ramakrishnan, Jayant; Granda, Jose J.

2006-01-01

The assembly and operation of the International Space Station (ISS) require extensive testing and engineering analysis to verify that the Space Station system of systems would work together without any adverse interactions. Since the dynamic behavior of an entire Space Station cannot be tested on earth, math models of the Space Station structures and mechanical systems have to be built and integrated in computer simulations and analysis tools to analyze and predict what will happen in space. The ISS Centrifuge Rotor (CR) is one of many mechanical systems that need to be modeled and analyzed to verify the ISS integrated system performance on-orbit. This study investigates using Bond Graph modeling techniques as quick and simplified ways to generate models of the ISS Centrifuge Rotor. This paper outlines the steps used to generate simple and more complex models of the CR using Bond Graph Computer Aided Modeling Program with Graphical Input (CAMP-G). Comparisons of the Bond Graph CR models with those derived from Euler-Lagrange equations in MATLAB and those developed using multibody dynamic simulation at the National Aeronautics and Space Administration (NASA) Johnson Space Center (JSC) are presented to demonstrate the usefulness of the Bond Graph modeling approach for aeronautics and space applications.

NeAT: a toolbox for the analysis of biological networks, clusters, classes and pathways.

PubMed

Brohée, Sylvain; Faust, Karoline; Lima-Mendez, Gipsi; Sand, Olivier; Janky, Rekin's; Vanderstocken, Gilles; Deville, Yves; van Helden, Jacques

2008-07-01

The network analysis tools (NeAT) (http://rsat.ulb.ac.be/neat/) provide a user-friendly web access to a collection of modular tools for the analysis of networks (graphs) and clusters (e.g. microarray clusters, functional classes, etc.). A first set of tools supports basic operations on graphs (comparison between two graphs, neighborhood of a set of input nodes, path finding and graph randomization). Another set of programs makes the connection between networks and clusters (graph-based clustering, cliques discovery and mapping of clusters onto a network). The toolbox also includes programs for detecting significant intersections between clusters/classes (e.g. clusters of co-expression versus functional classes of genes). NeAT are designed to cope with large datasets and provide a flexible toolbox for analyzing biological networks stored in various databases (protein interactions, regulation and metabolism) or obtained from high-throughput experiments (two-hybrid, mass-spectrometry and microarrays). The web interface interconnects the programs in predefined analysis flows, enabling to address a series of questions about networks of interest. Each tool can also be used separately by entering custom data for a specific analysis. NeAT can also be used as web services (SOAP/WSDL interface), in order to design programmatic workflows and integrate them with other available resources.

Multiscale weighted colored graphs for protein flexibility and rigidity analysis

NASA Astrophysics Data System (ADS)

Bramer, David; Wei, Guo-Wei

2018-02-01

Protein structural fluctuation, measured by Debye-Waller factors or B-factors, is known to correlate to protein flexibility and function. A variety of methods has been developed for protein Debye-Waller factor prediction and related applications to domain separation, docking pose ranking, entropy calculation, hinge detection, stability analysis, etc. Nevertheless, none of the current methodologies are able to deliver an accuracy of 0.7 in terms of the Pearson correlation coefficients averaged over a large set of proteins. In this work, we introduce a paradigm-shifting geometric graph model, multiscale weighted colored graph (MWCG), to provide a new generation of computational algorithms to significantly change the current status of protein structural fluctuation analysis. Our MWCG model divides a protein graph into multiple subgraphs based on interaction types between graph nodes and represents the protein rigidity by generalized centralities of subgraphs. MWCGs not only predict the B-factors of protein residues but also accurately analyze the flexibility of all atoms in a protein. The MWCG model is validated over a number of protein test sets and compared with many standard methods. An extensive numerical study indicates that the proposed MWCG offers an accuracy of over 0.8 and thus provides perhaps the first reliable method for estimating protein flexibility and B-factors. It also simultaneously predicts all-atom flexibility in a molecule.

Visualizing risks in cancer communication: A systematic review of computer-supported visual aids.

PubMed

Stellamanns, Jan; Ruetters, Dana; Dahal, Keshav; Schillmoeller, Zita; Huebner, Jutta

2017-08-01

Health websites are becoming important sources for cancer information. Lay users, patients and carers seek support for critical decisions, but they are prone to common biases when quantitative information is presented. Graphical representations of risk data can facilitate comprehension, and interactive visualizations are popular. This review summarizes the evidence on computer-supported graphs that present risk data and their effects on various measures. The systematic literature search was conducted in several databases, including MEDLINE, EMBASE and CINAHL. Only studies with a controlled design were included. Relevant publications were carefully selected and critically appraised by two reviewers. Thirteen studies were included. Ten studies evaluated static graphs and three dynamic formats. Most decision scenarios were hypothetical. Static graphs could improve accuracy, comprehension, and behavioural intention. But the results were heterogeneous and inconsistent among the studies. Dynamic formats were not superior or even impaired performance compared to static formats. Static graphs show promising but inconsistent results, while research on dynamic visualizations is scarce and must be interpreted cautiously due to methodical limitations. Well-designed and context-specific static graphs can support web-based cancer risk communication in particular populations. The application of dynamic formats cannot be recommended and needs further research. Copyright © 2017 Elsevier B.V. All rights reserved.

Visual traffic jam analysis based on trajectory data.

PubMed

Wang, Zuchao; Lu, Min; Yuan, Xiaoru; Zhang, Junping; van de Wetering, Huub

2013-12-01

In this work, we present an interactive system for visual analysis of urban traffic congestion based on GPS trajectories. For these trajectories we develop strategies to extract and derive traffic jam information. After cleaning the trajectories, they are matched to a road network. Subsequently, traffic speed on each road segment is computed and traffic jam events are automatically detected. Spatially and temporally related events are concatenated in, so-called, traffic jam propagation graphs. These graphs form a high-level description of a traffic jam and its propagation in time and space. Our system provides multiple views for visually exploring and analyzing the traffic condition of a large city as a whole, on the level of propagation graphs, and on road segment level. Case studies with 24 days of taxi GPS trajectories collected in Beijing demonstrate the effectiveness of our system.

Cooperation in the noisy case: Prisoner's dilemma game on two types of regular random graphs

NASA Astrophysics Data System (ADS)

Vukov, Jeromos; Szabó, György; Szolnoki, Attila

2006-06-01

We have studied an evolutionary prisoner’s dilemma game with players located on two types of random regular graphs with a degree of 4. The analysis is focused on the effects of payoffs and noise (temperature) on the maintenance of cooperation. When varying the noise level and/or the highest payoff, the system exhibits a second-order phase transition from a mixed state of cooperators and defectors to an absorbing state where only defectors remain alive. For the random regular graph (and Bethe lattice) the behavior of the system is similar to those found previously on the square lattice with nearest neighbor interactions, although the measure of cooperation is enhanced by the absence of loops in the connectivity structure. For low noise the optimal connectivity structure is built up from randomly connected triangles.

Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

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

Cheng, Shaobo; Zhang, Dong; Deng, Shiqing

Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. In this work, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by amore » genus model from a higher dimension in the graph theory. In conclusion, our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.« less

Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

DOE PAGES

Cheng, Shaobo; Zhang, Dong; Deng, Shiqing; ...

2018-04-19

Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. In this work, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by amore » genus model from a higher dimension in the graph theory. In conclusion, our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.« less

Volatility behavior of visibility graph EMD financial time series from Ising interacting system

NASA Astrophysics Data System (ADS)

Zhang, Bo; Wang, Jun; Fang, Wen

2015-08-01

A financial market dynamics model is developed and investigated by stochastic Ising system, where the Ising model is the most popular ferromagnetic model in statistical physics systems. Applying two graph based analysis and multiscale entropy method, we investigate and compare the statistical volatility behavior of return time series and the corresponding IMF series derived from the empirical mode decomposition (EMD) method. And the real stock market indices are considered to be comparatively studied with the simulation data of the proposed model. Further, we find that the degree distribution of visibility graph for the simulation series has the power law tails, and the assortative network exhibits the mixing pattern property. All these features are in agreement with the real market data, the research confirms that the financial model established by the Ising system is reasonable.

Nonlinear complexity of random visibility graph and Lempel-Ziv on multitype range-intensity interacting financial dynamics

NASA Astrophysics Data System (ADS)

Zhang, Yali; Wang, Jun

2017-09-01

In an attempt to investigate the nonlinear complex evolution of financial dynamics, a new financial price model - the multitype range-intensity contact (MRIC) financial model, is developed based on the multitype range-intensity interacting contact system, in which the interaction and transmission of different types of investment attitudes in a stock market are simulated by viruses spreading. Two new random visibility graph (VG) based analyses and Lempel-Ziv complexity (LZC) are applied to study the complex behaviors of return time series and the corresponding random sorted series. The VG method is the complex network theory, and the LZC is a non-parametric measure of complexity reflecting the rate of new pattern generation of a series. In this work, the real stock market indices are considered to be comparatively studied with the simulation data of the proposed model. Further, the numerical empirical study shows the similar complexity behaviors between the model and the real markets, the research confirms that the financial model is reasonable to some extent.

Quantum Optimization of Fully Connected Spin Glasses

NASA Astrophysics Data System (ADS)

Venturelli, Davide; Mandrà, Salvatore; Knysh, Sergey; O'Gorman, Bryan; Biswas, Rupak; Smelyanskiy, Vadim

2015-07-01

Many NP-hard problems can be seen as the task of finding a ground state of a disordered highly connected Ising spin glass. If solutions are sought by means of quantum annealing, it is often necessary to represent those graphs in the annealer's hardware by means of the graph-minor embedding technique, generating a final Hamiltonian consisting of coupled chains of ferromagnetically bound spins, whose binding energy is a free parameter. In order to investigate the effect of embedding on problems of interest, the fully connected Sherrington-Kirkpatrick model with random ±1 couplings is programmed on the D-Wave TwoTM annealer using up to 270 qubits interacting on a Chimera-type graph. We present the best embedding prescriptions for encoding the Sherrington-Kirkpatrick problem in the Chimera graph. The results indicate that the optimal choice of embedding parameters could be associated with the emergence of the spin-glass phase of the embedded problem, whose presence was previously uncertain. This optimal parameter setting allows the performance of the quantum annealer to compete with (and potentially outperform, in the absence of analog control errors) optimized simulated annealing algorithms.

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

Interacting with Users in Social Networks: The Follow-back Problem

DTIC Science & Technology

2016-05-02

interacting with the friends of the target(s). Because forming a connection is known as following in social networks such as Twitter , we refer to this as...of an interaction resulting in a follow-back, we conduct an empirical analysis of several thousand interactions in Twitter . We build a model of the...define as the followback score. We show through simulation that these heuristic policies perform well on real Twitter graphs. Thesis Supervisor: Dr

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

Zhu, Yitan; Xu, Yanxun; Helseth, Donald L.

Background: Genetic interactions play a critical role in cancer development. Existing knowledge about cancer genetic interactions is incomplete, especially lacking evidences derived from large-scale cancer genomics data. The Cancer Genome Atlas (TCGA) produces multimodal measurements across genomics and features of thousands of tumors, which provide an unprecedented opportunity to investigate the interplays of genes in cancer. Methods: We introduce Zodiac, a computational tool and resource to integrate existing knowledge about cancer genetic interactions with new information contained in TCGA data. It is an evolution of existing knowledge by treating it as a prior graph, integrating it with a likelihood modelmore » derived by Bayesian graphical model based on TCGA data, and producing a posterior graph as updated and data-enhanced knowledge. In short, Zodiac realizes “Prior interaction map + TCGA data → Posterior interaction map.” Results: Zodiac provides molecular interactions for about 200 million pairs of genes. All the results are generated from a big-data analysis and organized into a comprehensive database allowing customized search. In addition, Zodiac provides data processing and analysis tools that allow users to customize the prior networks and update the genetic pathways of their interest. Zodiac is publicly available at www.compgenome.org/ZODIAC. Conclusions: Zodiac recapitulates and extends existing knowledge of molecular interactions in cancer. It can be used to explore novel gene-gene interactions, transcriptional regulation, and other types of molecular interplays in cancer.« less

Protein Inference from the Integration of Tandem MS Data and Interactome Networks.

PubMed

Zhong, Jiancheng; Wang, Jianxing; Ding, Xiaojun; Zhang, Zhen; Li, Min; Wu, Fang-Xiang; Pan, Yi

2017-01-01

Since proteins are digested into a mixture of peptides in the preprocessing step of tandem mass spectrometry (MS), it is difficult to determine which specific protein a shared peptide belongs to. In recent studies, besides tandem MS data and peptide identification information, some other information is exploited to infer proteins. Different from the methods which first use only tandem MS data to infer proteins and then use network information to refine them, this study proposes a protein inference method named TMSIN, which uses interactome networks directly. As two interacting proteins should co-exist, it is reasonable to assume that if one of the interacting proteins is confidently inferred in a sample, its interacting partners should have a high probability in the same sample, too. Therefore, we can use the neighborhood information of a protein in an interactome network to adjust the probability that the shared peptide belongs to the protein. In TMSIN, a multi-weighted graph is constructed by incorporating the bipartite graph with interactome network information, where the bipartite graph is built with the peptide identification information. Based on multi-weighted graphs, TMSIN adopts an iterative workflow to infer proteins. At each iterative step, the probability that a shared peptide belongs to a specific protein is calculated by using the Bayes' law based on the neighbor protein support scores of each protein which are mapped by the shared peptides. We carried out experiments on yeast data and human data to evaluate the performance of TMSIN in terms of ROC, q-value, and accuracy. The experimental results show that AUC scores yielded by TMSIN are 0.742 and 0.874 in yeast dataset and human dataset, respectively, and TMSIN yields the maximum number of true positives when q-value less than or equal to 0.05. The overlap analysis shows that TMSIN is an effective complementary approach for protein inference.

Absorption of infrared radiation by carbon monoxide at elevated temperatures and pressures: Part B. Total emissivity charts and correlations

NASA Astrophysics Data System (ADS)

Alberti, Michael; Weber, Roman; Mancini, Marco

2017-10-01

The line-by-line procedure developed in the associated paper (Part A ) has been used to generate the total emissivity chart for pure CO and CO -N2 /air mixtures at 1 bar total pressure, in the 300 to 3000 K temperature and 0.01 to 3000 bar cm pressure path length range. Methods of scaling the emissivity to pressures different to 1 bar, in the range 0.1 to 40 bar, are provided through pressure correction graphs and EXCEL interpolator (Supplementary Material). The interpolated emissivities are within ± 2% margin from the line-by-line calculated values. The newly developed emissivity graphs are substantially more accurate than the existing Ulrich (1936) & Hottel (1954) and Abu-Romia & Tien (1966) charts.

Optional games on cycles and complete graphs.

PubMed

Jeong, Hyeong-Chai; Oh, Seung-Yoon; Allen, Benjamin; Nowak, Martin A

2014-09-07

We study stochastic evolution of optional games on simple graphs. There are two strategies, A and B, whose interaction is described by a general payoff matrix. In addition, there are one or several possibilities to opt out from the game by adopting loner strategies. Optional games lead to relaxed social dilemmas. Here we explore the interaction between spatial structure and optional games. We find that increasing the number of loner strategies (or equivalently increasing mutational bias toward loner strategies) facilitates evolution of cooperation both in well-mixed and in structured populations. We derive various limits for weak selection and large population size. For some cases we derive analytic results for strong selection. We also analyze strategy selection numerically for finite selection intensity and discuss combined effects of optionality and spatial structure. Copyright © 2014 Elsevier Ltd. All rights reserved.

DDR: efficient computational method to predict drug-target interactions using graph mining and machine learning approaches.

PubMed

Olayan, Rawan S; Ashoor, Haitham; Bajic, Vladimir B

2018-04-01

Finding computationally drug-target interactions (DTIs) is a convenient strategy to identify new DTIs at low cost with reasonable accuracy. However, the current DTI prediction methods suffer the high false positive prediction rate. We developed DDR, a novel method that improves the DTI prediction accuracy. DDR is based on the use of a heterogeneous graph that contains known DTIs with multiple similarities between drugs and multiple similarities between target proteins. DDR applies non-linear similarity fusion method to combine different similarities. Before fusion, DDR performs a pre-processing step where a subset of similarities is selected in a heuristic process to obtain an optimized combination of similarities. Then, DDR applies a random forest model using different graph-based features extracted from the DTI heterogeneous graph. Using 5-repeats of 10-fold cross-validation, three testing setups, and the weighted average of area under the precision-recall curve (AUPR) scores, we show that DDR significantly reduces the AUPR score error relative to the next best start-of-the-art method for predicting DTIs by 34% when the drugs are new, by 23% when targets are new and by 34% when the drugs and the targets are known but not all DTIs between them are not known. Using independent sources of evidence, we verify as correct 22 out of the top 25 DDR novel predictions. This suggests that DDR can be used as an efficient method to identify correct DTIs. The data and code are provided at https://bitbucket.org/RSO24/ddr/. vladimir.bajic@kaust.edu.sa. Supplementary data are available at Bioinformatics online.

Random walk and graph cut based active contour model for three-dimension interactive pituitary adenoma segmentation from MR images

NASA Astrophysics Data System (ADS)

Sun, Min; Chen, Xinjian; Zhang, Zhiqiang; Ma, Chiyuan

2017-02-01

Accurate volume measurements of pituitary adenoma are important to the diagnosis and treatment for this kind of sellar tumor. The pituitary adenomas have different pathological representations and various shapes. Particularly, in the case of infiltrating to surrounding soft tissues, they present similar intensities and indistinct boundary in T1-weighted (T1W) magnetic resonance (MR) images. Then the extraction of pituitary adenoma from MR images is still a challenging task. In this paper, we propose an interactive method to segment the pituitary adenoma from brain MR data, by combining graph cuts based active contour model (GCACM) and random walk algorithm. By using the GCACM method, the segmentation task is formulated as an energy minimization problem by a hybrid active contour model (ACM), and then the problem is solved by the graph cuts method. The region-based term in the hybrid ACM considers the local image intensities as described by Gaussian distributions with different means and variances, expressed as maximum a posteriori probability (MAP). Random walk is utilized as an initialization tool to provide initialized surface for GCACM. The proposed method is evaluated on the three-dimensional (3-D) T1W MR data of 23 patients and compared with the standard graph cuts method, the random walk method, the hybrid ACM method, a GCACM method which considers global mean intensity in region forces, and a competitive region-growing based GrowCut method planted in 3D Slicer. Based on the experimental results, the proposed method is superior to those methods.

Learning in engineered multi-agent systems

NASA Astrophysics Data System (ADS)

Menon, Anup

Consider the problem of maximizing the total power produced by a wind farm. Due to aerodynamic interactions between wind turbines, each turbine maximizing its individual power---as is the case in present-day wind farms---does not lead to optimal farm-level power capture. Further, there are no good models to capture the said aerodynamic interactions, rendering model based optimization techniques ineffective. Thus, model-free distributed algorithms are needed that help turbines adapt their power production on-line so as to maximize farm-level power capture. Motivated by such problems, the main focus of this dissertation is a distributed model-free optimization problem in the context of multi-agent systems. The set-up comprises of a fixed number of agents, each of which can pick an action and observe the value of its individual utility function. An individual's utility function may depend on the collective action taken by all agents. The exact functional form (or model) of the agent utility functions, however, are unknown; an agent can only measure the numeric value of its utility. The objective of the multi-agent system is to optimize the welfare function (i.e. sum of the individual utility functions). Such a collaborative task requires communications between agents and we allow for the possibility of such inter-agent communications. We also pay attention to the role played by the pattern of such information exchange on certain aspects of performance. We develop two algorithms to solve this problem. The first one, engineered Interactive Trial and Error Learning (eITEL) algorithm, is based on a line of work in the Learning in Games literature and applies when agent actions are drawn from finite sets. While in a model-free setting, we introduce a novel qualitative graph-theoretic framework to encode known directed interactions of the form "which agents' action affect which others' payoff" (interaction graph). We encode explicit inter-agent communications in a directed graph (communication graph) and, under certain conditions, prove convergence of agent joint action (under eITEL) to the welfare optimizing set. The main condition requires that the union of interaction and communication graphs be strongly connected; thus the algorithm combines an implicit form of communication (via interactions through utility functions) with explicit inter-agent communications to achieve the given collaborative goal. This work has kinship with certain evolutionary computation techniques such as Simulated Annealing; the algorithm steps are carefully designed such that it describes an ergodic Markov chain with a stationary distribution that has support over states where agent joint actions optimize the welfare function. The main analysis tool is perturbed Markov chains and results of broader interest regarding these are derived as well. The other algorithm, Collaborative Extremum Seeking (CES), uses techniques from extremum seeking control to solve the problem when agent actions are drawn from the set of real numbers. In this case, under the assumption of existence of a local minimizer for the welfare function and a connected undirected communication graph between agents, a result regarding convergence of joint action to a small neighborhood of a local optimizer of the welfare function is proved. Since extremum seeking control uses a simultaneous gradient estimation-descent scheme, gradient information available in the continuous action space formulation is exploited by the CES algorithm to yield improved convergence speeds. The effectiveness of this algorithm for the wind farm power maximization problem is evaluated via simulations. Lastly, we turn to a different question regarding role of the information exchange pattern on performance of distributed control systems by means of a case study for the vehicle platooning problem. In the vehicle platoon control problem, the objective is to design distributed control laws for individual vehicles in a platoon (or a road-train) that regulate inter-vehicle distances at a specified safe value while the entire platoon follows a leader-vehicle. While most of the literature on the problem deals with some inadequacy in control performance when the information exchange is of the nearest neighbor-type, we consider an arbitrary graph serving as information exchange pattern and derive a relationship between how a certain indicator of control performance is related to the information pattern. Such analysis helps in understanding qualitative features of the `right' information pattern for this problem.

Historical contingency in fluviokarst landscape evolution

NASA Astrophysics Data System (ADS)

Phillips, Jonathan D.

2018-02-01

Lateral and vertical erosion at meander bends in the Kentucky River gorge area has created a series of strath terraces on the interior of incised meander bends. These represent a chronosequence of fluviokarst landscape evolution from the youngest valley side transition zone near the valley bottom to the oldest upland surface. This five-part chronosequence (not including the active river channel and floodplain) was analyzed in terms of the landforms that occur at each stage or surface. These include dolines, uvalas, karst valleys, pocket valleys, unincised channels, incised channels, and cliffs (smaller features such as swallets and shafts also occur). Landform coincidence analysis shows higher coincidence indices (CI) than would be expected based on an idealized chronosequence. CI values indicate genetic relationships (common causality) among some landforms and unexpected persistence of some features on older surfaces. The idealized and two observed chronosequences were also represented as graphs and analyzed using algebraic graph theory. The two field sites yielded graphs more complex and with less historical contingency than the idealized sequence. Indeed, some of the spectral graph measures for the field sites more closely approximate a purely hypothetical no-historical-contingency benchmark graph. The deviations of observations from the idealized expectations, and the high levels of graph complexity both point to potential transitions among landform types as being the dominant phenomenon, rather than canalization along a particular evolutionary pathway. As the base level of both the fluvial and karst landforms is lowered as the meanders expand, both fluvial and karst denudation are rejuvenated, and landform transitions remain active.

Fisher metric, geometric entanglement, and spin networks

NASA Astrophysics Data System (ADS)

Chirco, Goffredo; Mele, Fabio M.; Oriti, Daniele; Vitale, Patrizia

2018-02-01

Starting from recent results on the geometric formulation of quantum mechanics, we propose a new information geometric characterization of entanglement for spin network states in the context of quantum gravity. For the simple case of a single-link fixed graph (Wilson line), we detail the construction of a Riemannian Fisher metric tensor and a symplectic structure on the graph Hilbert space, showing how these encode the whole information about separability and entanglement. In particular, the Fisher metric defines an entanglement monotone which provides a notion of distance among states in the Hilbert space. In the maximally entangled gauge-invariant case, the entanglement monotone is proportional to a power of the area of the surface dual to the link thus supporting a connection between entanglement and the (simplicial) geometric properties of spin network states. We further extend such analysis to the study of nonlocal correlations between two nonadjacent regions of a generic spin network graph characterized by the bipartite unfolding of an intertwiner state. Our analysis confirms the interpretation of spin network bonds as a result of entanglement and to regard the same spin network graph as an information graph, whose connectivity encodes, both at the local and nonlocal level, the quantum correlations among its parts. This gives a further connection between entanglement and geometry.

Movement Forms: A Graph-Dynamic Perspective

PubMed Central

Saltzman, Elliot; Holt, Ken

2014-01-01

The focus of this paper is on characterizing the physical movement forms (e.g., walk, crawl, roll, etc.) that can be used to actualize abstract, functionally-specified behavioral goals (e.g., locomotion). Emphasis is placed on how such forms are distinguished from one another, in part, by the set of topological patterns of physical contact between agent and environment (i.e., the set of physical graphs associated with each form) and the transitions among these patterns displayed over the course of performance (i.e., the form’s physical graph dynamics). Crucial in this regard is the creation and dissolution of loops in these graphs, which can be related to the distinction between open and closed kinematic chains. Formal similarities are described within the theoretical framework of task-dynamics between physically-closed kinematic chains (physical loops) that are created during various movement forms and functionally-closed kinematic chains (functional loops) that are associated with task-space control of end-effectors; it is argued that both types of loop must be flexibly incorporated into the coordinative structures that govern skilled action. Final speculation is focused on the role of graphs and their dynamics, not only in processes of coordination and control for individual agents, but also in processes of inter-agent coordination and the coupling of agents with (non-sentient) environmental objects. PMID:24910507

Movement Forms: A Graph-Dynamic Perspective.

PubMed

Saltzman, Elliot; Holt, Ken

2014-01-01

The focus of this paper is on characterizing the physical movement forms (e.g., walk, crawl, roll, etc.) that can be used to actualize abstract, functionally-specified behavioral goals (e.g., locomotion). Emphasis is placed on how such forms are distinguished from one another, in part, by the set of topological patterns of physical contact between agent and environment (i.e., the set of physical graphs associated with each form) and the transitions among these patterns displayed over the course of performance (i.e., the form's physical graph dynamics ). Crucial in this regard is the creation and dissolution of loops in these graphs, which can be related to the distinction between open and closed kinematic chains. Formal similarities are described within the theoretical framework of task-dynamics between physically-closed kinematic chains (physical loops) that are created during various movement forms and functionally-closed kinematic chains (functional loops) that are associated with task-space control of end-effectors; it is argued that both types of loop must be flexibly incorporated into the coordinative structures that govern skilled action. Final speculation is focused on the role of graphs and their dynamics, not only in processes of coordination and control for individual agents, but also in processes of inter-agent coordination and the coupling of agents with (non-sentient) environmental objects.

Teaching Interactions between Foreign Exchange Markets and Balance-of-Payments Flows: An Alternative Graphical Approach.

ERIC Educational Resources Information Center

Gaske, Dan

1992-01-01

Provides a graphical framework for presenting interactions among current account flows, capital account flows, and exchange rates. Suggests that the two type of flows must be considered separately in discussions of foreign exchange equilibrium and balance of payments flows. Supplies sample graphs and instructions for applying the framework to real…

A Graph Theory Practice on Transformed Image: A Random Image Steganography

PubMed Central

Thanikaiselvan, V.; Arulmozhivarman, P.; Subashanthini, S.; Amirtharajan, Rengarajan

2013-01-01

Modern day information age is enriched with the advanced network communication expertise but unfortunately at the same time encounters infinite security issues when dealing with secret and/or private information. The storage and transmission of the secret information become highly essential and have led to a deluge of research in this field. In this paper, an optimistic effort has been taken to combine graceful graph along with integer wavelet transform (IWT) to implement random image steganography for secure communication. The implementation part begins with the conversion of cover image into wavelet coefficients through IWT and is followed by embedding secret image in the randomly selected coefficients through graph theory. Finally stegoimage is obtained by applying inverse IWT. This method provides a maximum of 44 dB peak signal to noise ratio (PSNR) for 266646 bits. Thus, the proposed method gives high imperceptibility through high PSNR value and high embedding capacity in the cover image due to adaptive embedding scheme and high robustness against blind attack through graph theoretic random selection of coefficients. PMID:24453857

How to Build a Functional Connectomic Biomarker for Mild Cognitive Impairment From Source Reconstructed MEG Resting-State Activity: The Combination of ROI Representation and Connectivity Estimator Matters.

PubMed

Dimitriadis, Stavros I; López, María E; Bruña, Ricardo; Cuesta, Pablo; Marcos, Alberto; Maestú, Fernando; Pereda, Ernesto

2018-01-01

Our work aimed to demonstrate the combination of machine learning and graph theory for the designing of a connectomic biomarker for mild cognitive impairment (MCI) subjects using eyes-closed neuromagnetic recordings. The whole analysis based on source-reconstructed neuromagnetic activity. As ROI representation, we employed the principal component analysis (PCA) and centroid approaches. As representative bi-variate connectivity estimators for the estimation of intra and cross-frequency interactions, we adopted the phase locking value (PLV), the imaginary part (iPLV) and the correlation of the envelope (CorrEnv). Both intra and cross-frequency interactions (CFC) have been estimated with the three connectivity estimators within the seven frequency bands (intra-frequency) and in pairs (CFC), correspondingly. We demonstrated how different versions of functional connectivity graphs single-layer (SL-FCG) and multi-layer (ML-FCG) can give us a different view of the functional interactions across the brain areas. Finally, we applied machine learning techniques with main scope to build a reliable connectomic biomarker by analyzing both SL-FCG and ML-FCG in two different options: as a whole unit using a tensorial extraction algorithm and as single pair-wise coupling estimations. We concluded that edge-weighed feature selection strategy outperformed the tensorial treatment of SL-FCG and ML-FCG. The highest classification performance was obtained with the centroid ROI representation and edge-weighted analysis of the SL-FCG reaching the 98% for the CorrEnv in α 1 :α 2 and 94% for the iPLV in α 2 . Classification performance based on the multi-layer participation coefficient, a multiplexity index reached 52% for iPLV and 52% for CorrEnv. Selected functional connections that build the multivariate connectomic biomarker in the edge-weighted scenario are located in default-mode, fronto-parietal, and cingulo-opercular network. Our analysis supports the notion of analyzing FCG simultaneously in intra and cross-frequency whole brain interactions with various connectivity estimators in beamformed recordings.

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

Deep graphs-A general framework to represent and analyze heterogeneous complex systems across scales.

PubMed

Traxl, Dominik; Boers, Niklas; Kurths, Jürgen

2016-06-01

Network theory has proven to be a powerful tool in describing and analyzing systems by modelling the relations between their constituent objects. Particularly in recent years, a great progress has been made by augmenting "traditional" network theory in order to account for the multiplex nature of many networks, multiple types of connections between objects, the time-evolution of networks, networks of networks and other intricacies. However, existing network representations still lack crucial features in order to serve as a general data analysis tool. These include, most importantly, an explicit association of information with possibly heterogeneous types of objects and relations, and a conclusive representation of the properties of groups of nodes as well as the interactions between such groups on different scales. In this paper, we introduce a collection of definitions resulting in a framework that, on the one hand, entails and unifies existing network representations (e.g., network of networks and multilayer networks), and on the other hand, generalizes and extends them by incorporating the above features. To implement these features, we first specify the nodes and edges of a finite graph as sets of properties (which are permitted to be arbitrary mathematical objects). Second, the mathematical concept of partition lattices is transferred to the network theory in order to demonstrate how partitioning the node and edge set of a graph into supernodes and superedges allows us to aggregate, compute, and allocate information on and between arbitrary groups of nodes. The derived partition lattice of a graph, which we denote by deep graph, constitutes a concise, yet comprehensive representation that enables the expression and analysis of heterogeneous properties, relations, and interactions on all scales of a complex system in a self-contained manner. Furthermore, to be able to utilize existing network-based methods and models, we derive different representations of multilayer networks from our framework and demonstrate the advantages of our representation. On the basis of the formal framework described here, we provide a rich, fully scalable (and self-explanatory) software package that integrates into the PyData ecosystem and offers interfaces to popular network packages, making it a powerful, general-purpose data analysis toolkit. We exemplify an application of deep graphs using a real world dataset, comprising 16 years of satellite-derived global precipitation measurements. We deduce a deep graph representation of these measurements in order to track and investigate local formations of spatio-temporal clusters of extreme precipitation events.

An automated method for finding molecular complexes in large protein interaction networks

PubMed Central

Bader, Gary D; Hogue, Christopher WV

2003-01-01

Background Recent advances in proteomics technologies such as two-hybrid, phage display and mass spectrometry have enabled us to create a detailed map of biomolecular interaction networks. Initial mapping efforts have already produced a wealth of data. As the size of the interaction set increases, databases and computational methods will be required to store, visualize and analyze the information in order to effectively aid in knowledge discovery. Results This paper describes a novel graph theoretic clustering algorithm, "Molecular Complex Detection" (MCODE), that detects densely connected regions in large protein-protein interaction networks that may represent molecular complexes. The method is based on vertex weighting by local neighborhood density and outward traversal from a locally dense seed protein to isolate the dense regions according to given parameters. The algorithm has the advantage over other graph clustering methods of having a directed mode that allows fine-tuning of clusters of interest without considering the rest of the network and allows examination of cluster interconnectivity, which is relevant for protein networks. Protein interaction and complex information from the yeast Saccharomyces cerevisiae was used for evaluation. Conclusion Dense regions of protein interaction networks can be found, based solely on connectivity data, many of which correspond to known protein complexes. The algorithm is not affected by a known high rate of false positives in data from high-throughput interaction techniques. The program is available from . PMID:12525261

The Multi-Disciplinary Graduate Program in Educational Research. Final Report, Part II; Methodoloqical Trilogy.

ERIC Educational Resources Information Center

Lazarsfeld, Paul F., Ed.

Part two of a seven-section, final report on the Multi-Disciplinary Graduate Program in Educational Research, this document contains discussions of quantification and reason analysis. Quantification is presented as a language consisting of sentences (graphs and tables), words, (classificatory instruments), and grammar (rules for constructing and…

Program Multi - A Multi-purpose Program for Computing and Graphing Roots and Values for Any Real Function -- Users/Programmers Manual

DOT National Transportation Integrated Search

1976-05-01

As part of its activity under the Rail Equipment Safety Project, computer programs for track/train dynamics analysis are being developed and modified. As part of this effort, derailment behavior of trains negotiating curves under buff or draft has be...

SEER*Explorer

Cancer.gov

This interactive website provides access to cancer statistics (rates and trends) for a cancer site by gender, race, calendar year, stage, and histology. Users can create custom graphs and tables, download data and images, download SEER*Stat sessions, and share results.

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.

GraDit: graph-based data repair algorithm for multiple data edits rule violations

NASA Astrophysics Data System (ADS)

Ode Zuhayeni Madjida, Wa; Gusti Bagus Baskara Nugraha, I.

2018-03-01

Constraint-based data cleaning captures data violation to a set of rule called data quality rules. The rules consist of integrity constraint and data edits. Structurally, they are similar, where the rule contain left hand side and right hand side. Previous research proposed a data repair algorithm for integrity constraint violation. The algorithm uses undirected hypergraph as rule violation representation. Nevertheless, this algorithm can not be applied for data edits because of different rule characteristics. This study proposed GraDit, a repair algorithm for data edits rule. First, we use bipartite-directed hypergraph as model representation of overall defined rules. These representation is used for getting interaction between violation rules and clean rules. On the other hand, we proposed undirected graph as violation representation. Our experimental study showed that algorithm with undirected graph as violation representation model gave better data quality than algorithm with undirected hypergraph as representation model.

Exactly solved models on planar graphs with vertices in {Z}^3

NASA Astrophysics Data System (ADS)

Kels, Andrew P.

2017-12-01

It is shown how exactly solved edge interaction models on the square lattice, may be extended onto more general planar graphs, with edges connecting a subset of next nearest neighbour vertices of {Z}3 . This is done by using local deformations of the square lattice, that arise through the use of the star-triangle relation. Similar to Baxter’s Z-invariance property, these local deformations leave the partition function invariant up to some simple factors coming from the star-triangle relation. The deformations used here extend the usual formulation of Z-invariance, by requiring the introduction of oriented rapidity lines which form directed closed paths in the rapidity graph of the model. The quasi-classical limit is also considered, in which case the deformations imply a classical Z-invariance property, as well as a related local closure relation, for the action functional of a system of classical discrete Laplace equations.

Graph Representations of Flow and Transport in Fracture Networks using Machine Learning

NASA Astrophysics Data System (ADS)

Srinivasan, G.; Viswanathan, H. S.; Karra, S.; O'Malley, D.; Godinez, H. C.; Hagberg, A.; Osthus, D.; Mohd-Yusof, J.

2017-12-01

Flow and transport of fluids through fractured systems is governed by the properties and interactions at the micro-scale. Retaining information about the micro-structure such as fracture length, orientation, aperture and connectivity in mesh-based computational models results in solving for millions to billions of degrees of freedom and quickly renders the problem computationally intractable. Our approach depicts fracture networks graphically, by mapping fractures to nodes and intersections to edges, thereby greatly reducing computational burden. Additionally, we use machine learning techniques to build simulators on the graph representation, trained on data from the mesh-based high fidelity simulations to speed up computation by orders of magnitude. We demonstrate our methodology on ensembles of discrete fracture networks, dividing up the data into training and validation sets. Our machine learned graph-based solvers result in over 3 orders of magnitude speedup without any significant sacrifice in accuracy.

Quantifying randomness in real networks

NASA Astrophysics Data System (ADS)

Orsini, Chiara; Dankulov, Marija M.; Colomer-de-Simón, Pol; Jamakovic, Almerima; Mahadevan, Priya; Vahdat, Amin; Bassler, Kevin E.; Toroczkai, Zoltán; Boguñá, Marián; Caldarelli, Guido; Fortunato, Santo; Krioukov, Dmitri

2015-10-01

Represented as graphs, real networks are intricate combinations of order and disorder. Fixing some of the structural properties of network models to their values observed in real networks, many other properties appear as statistical consequences of these fixed observables, plus randomness in other respects. Here we employ the dk-series, a complete set of basic characteristics of the network structure, to study the statistical dependencies between different network properties. We consider six real networks--the Internet, US airport network, human protein interactions, technosocial web of trust, English word network, and an fMRI map of the human brain--and find that many important local and global structural properties of these networks are closely reproduced by dk-random graphs whose degree distributions, degree correlations and clustering are as in the corresponding real network. We discuss important conceptual, methodological, and practical implications of this evaluation of network randomness, and release software to generate dk-random graphs.

Dynamic programming and graph algorithms in computer vision.

PubMed

Felzenszwalb, Pedro F; Zabih, Ramin

2011-04-01

Optimization is a powerful paradigm for expressing and solving problems in a wide range of areas, and has been successfully applied to many vision problems. Discrete optimization techniques are especially interesting since, by carefully exploiting problem structure, they often provide nontrivial guarantees concerning solution quality. In this paper, we review dynamic programming and graph algorithms, and discuss representative examples of how these discrete optimization techniques have been applied to some classical vision problems. We focus on the low-level vision problem of stereo, the mid-level problem of interactive object segmentation, and the high-level problem of model-based recognition.

Results on ultra-relativistic nucleus-nucleus interactions from balloon-borne emulsion chambers

NASA Technical Reports Server (NTRS)

Burnett, T. H.; Dake, S.; Derrickson, J. H.; Fountain, W.; Meegan, C. A.; Takahashi, Y.; Watts, J. W.; Fuki, M.; Gregory, J. C.; Hayashi, T.

1985-01-01

The results of balloon-borne emulsion-chamber measurements on high-energy cosmic-ray nuclei (Burnett et al., 1983) are summarized in tables and graphs and briefly characterized. Special consideration is given to seven nucleus-nucleus interaction events at energy in excess of 1 TeV/A with multiplicity greater than 400, and to Fe interactions (53 with CHO, 10 with emulsion, and 14 with Pb) at 20-60 GeV/A.

PuReD-MCL: a graph-based PubMed document clustering methodology.

PubMed

Theodosiou, T; Darzentas, N; Angelis, L; Ouzounis, C A

2008-09-01

Biomedical literature is the principal repository of biomedical knowledge, with PubMed being the most complete database collecting, organizing and analyzing such textual knowledge. There are numerous efforts that attempt to exploit this information by using text mining and machine learning techniques. We developed a novel approach, called PuReD-MCL (Pubmed Related Documents-MCL), which is based on the graph clustering algorithm MCL and relevant resources from PubMed. PuReD-MCL avoids using natural language processing (NLP) techniques directly; instead, it takes advantage of existing resources, available from PubMed. PuReD-MCL then clusters documents efficiently using the MCL graph clustering algorithm, which is based on graph flow simulation. This process allows users to analyse the results by highlighting important clues, and finally to visualize the clusters and all relevant information using an interactive graph layout algorithm, for instance BioLayout Express 3D. The methodology was applied to two different datasets, previously used for the validation of the document clustering tool TextQuest. The first dataset involves the organisms Escherichia coli and yeast, whereas the second is related to Drosophila development. PuReD-MCL successfully reproduces the annotated results obtained from TextQuest, while at the same time provides additional insights into the clusters and the corresponding documents. Source code in perl and R are available from http://tartara.csd.auth.gr/~theodos/

Expert system validation in prolog

NASA Technical Reports Server (NTRS)

Stock, Todd; Stachowitz, Rolf; Chang, Chin-Liang; Combs, Jacqueline

1988-01-01

An overview of the Expert System Validation Assistant (EVA) is being implemented in Prolog at the Lockheed AI Center. Prolog was chosen to facilitate rapid prototyping of the structure and logic checkers and since February 1987, we have implemented code to check for irrelevance, subsumption, duplication, deadends, unreachability, and cycles. The architecture chosen is extremely flexible and expansible, yet concise and complementary with the normal interactive style of Prolog. The foundation of the system is in the connection graph representation. Rules and facts are modeled as nodes in the graph and arcs indicate common patterns between rules. The basic activity of the validation system is then a traversal of the connection graph, searching for various patterns the system recognizes as erroneous. To aid in specifying these patterns, a metalanguage is developed, providing the user with the basic facilities required to reason about the expert system. Using the metalanguage, the user can, for example, give the Prolog inference engine the goal of finding inconsistent conclusions among the rules, and Prolog will search the graph intantiations which can match the definition of inconsistency. Examples of code for some of the checkers are provided and the algorithms explained. Technical highlights include automatic construction of a connection graph, demonstration of the use of metalanguage, the A* algorithm modified to detect all unique cycles, general-purpose stacks in Prolog, and a general-purpose database browser with pattern completion.

A user-friendly, menu-driven, language-free laser characteristics curves graphing program for desk-top IBM PC compatible computers

NASA Technical Reports Server (NTRS)

Klutz, Glenn

1989-01-01

A facility was established that uses collected data and feeds it into mathematical models that generate improved data arrays by correcting for various losses, base line drift, and conversion to unity scaling. These developed data arrays have headers and other identifying information affixed and are subsequently stored in a Laser Materials and Characteristics data base which is accessible to various users. The two part data base: absorption - emission spectra and tabulated data, is developed around twelve laser models. The tabulated section of the data base is divided into several parts: crystalline, optical, mechanical, and thermal properties; aborption and emission spectra information; chemical name and formulas; and miscellaneous. A menu-driven, language-free graphing program will reduce and/or remove the requirement that users become competent FORTRAN programmers and the concomitant requirement that they also spend several days to a few weeks becoming conversant with the GEOGRAF library and sequence of calls and the continual refreshers of both. The work included becoming thoroughly conversant with or at least very familiar with GEOGRAF by GEOCOMP Corp. The development of the graphing program involved trial runs of the various callable library routines on dummy data in order to become familiar with actual implementation and sequencing. This was followed by trial runs with actual data base files and some additional data from current research that was not in the data base but currently needed graphs. After successful runs, with dummy and real data, using actual FORTRAN instructions steps were undertaken to develop the menu-driven language-free implementation of a program which would require the user only know how to use microcomputers. The user would simply be responding to items displayed on the video screen. To assist the user in arriving at the optimum values needed for a specific graph, a paper, and pencil check list was made available to use on the trial runs.

JNSViewer—A JavaScript-based Nucleotide Sequence Viewer for DNA/RNA secondary structures

PubMed Central

Dong, Min; Graham, Mitchell; Yadav, Nehul

2017-01-01

Many tools are available for visualizing RNA or DNA secondary structures, but there is scarce implementation in JavaScript that provides seamless integration with the increasingly popular web computational platforms. We have developed JNSViewer, a highly interactive web service, which is bundled with several popular tools for DNA/RNA secondary structure prediction and can provide precise and interactive correspondence among nucleotides, dot-bracket data, secondary structure graphs, and genic annotations. In JNSViewer, users can perform RNA secondary structure predictions with different programs and settings, add customized genic annotations in GFF format to structure graphs, search for specific linear motifs, and extract relevant structure graphs of sub-sequences. JNSViewer also allows users to choose a transcript or specific segment of Arabidopsis thaliana genome sequences and predict the corresponding secondary structure. Popular genome browsers (i.e., JBrowse and BrowserGenome) were integrated into JNSViewer to provide powerful visualizations of chromosomal locations, genic annotations, and secondary structures. In addition, we used StructureFold with default settings to predict some RNA structures for Arabidopsis by incorporating in vivo high-throughput RNA structure profiling data and stored the results in our web server, which might be a useful resource for RNA secondary structure studies in plants. JNSViewer is available at http://bioinfolab.miamioh.edu/jnsviewer/index.html. PMID:28582416

Bio-AIMS Collection of Chemoinformatics Web Tools based on Molecular Graph Information and Artificial Intelligence Models.

PubMed

Munteanu, Cristian R; Gonzalez-Diaz, Humberto; Garcia, Rafael; Loza, Mabel; Pazos, Alejandro

2015-01-01

The molecular information encoding into molecular descriptors is the first step into in silico Chemoinformatics methods in Drug Design. The Machine Learning methods are a complex solution to find prediction models for specific biological properties of molecules. These models connect the molecular structure information such as atom connectivity (molecular graphs) or physical-chemical properties of an atom/group of atoms to the molecular activity (Quantitative Structure - Activity Relationship, QSAR). Due to the complexity of the proteins, the prediction of their activity is a complicated task and the interpretation of the models is more difficult. The current review presents a series of 11 prediction models for proteins, implemented as free Web tools on an Artificial Intelligence Model Server in Biosciences, Bio-AIMS (http://bio-aims.udc.es/TargetPred.php). Six tools predict protein activity, two models evaluate drug - protein target interactions and the other three calculate protein - protein interactions. The input information is based on the protein 3D structure for nine models, 1D peptide amino acid sequence for three tools and drug SMILES formulas for two servers. The molecular graph descriptor-based Machine Learning models could be useful tools for in silico screening of new peptides/proteins as future drug targets for specific treatments.

Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015

NASA Astrophysics Data System (ADS)

Slynko, Inna; Da Silva, Franck; Bret, Guillaume; Rognan, Didier

2016-09-01

High affinity ligands for a given target tend to share key molecular interactions with important anchoring amino acids and therefore often present quite conserved interaction patterns. This simple concept was formalized in a topological knowledge-based scoring function (GRIM) for selecting the most appropriate docking poses from previously X-rayed interaction patterns. GRIM first converts protein-ligand atomic coordinates (docking poses) into a simple 3D graph describing the corresponding interaction pattern. In a second step, proposed graphs are compared to that found from template structures in the Protein Data Bank. Last, all docking poses are rescored according to an empirical score (GRIMscore) accounting for overlap of maximum common subgraphs. Taking the opportunity of the public D3R Grand Challenge 2015, GRIM was used to rescore docking poses for 36 ligands (6 HSP90α inhibitors, 30 MAP4K4 inhibitors) prior to the release of the corresponding protein-ligand X-ray structures. When applied to the HSP90α dataset, for which many protein-ligand X-ray structures are already available, GRIM provided very high quality solutions (mean rmsd = 1.06 Å, n = 6) as top-ranked poses, and significantly outperformed a state-of-the-art scoring function. In the case of MAP4K4 inhibitors, for which preexisting 3D knowledge is scarce and chemical diversity is much larger, the accuracy of GRIM poses decays (mean rmsd = 3.18 Å, n = 30) although GRIM still outperforms an energy-based scoring function. GRIM rescoring appears to be quite robust with comparison to the other approaches competing for the same challenge (42 submissions for the HSP90 dataset, 27 for the MAP4K4 dataset) as it ranked 3rd and 2nd respectively, for the two investigated datasets. The rescoring method is quite simple to implement, independent on a docking engine, and applicable to any target for which at least one holo X-ray structure is available.

Graphing Calculators, the CBL2[TM] and TI-Interactive[TM] in High School Science.

ERIC Educational Resources Information Center

Molnar, Bill

This collection of activities is designed to show how TI-Interactive[TM] and Calculator-based Laboratories (CBL) can be used to explore topics in high school science. The activities address such topics as specific heat, Boyle's Law, Newton's Law of Cooling, and Antarctic Ozone Levels. Teaching notes and calculator instructions are included as are…

Interactive Visual Least Absolutes Method: Comparison with the Least Squares and the Median Methods

ERIC Educational Resources Information Center

Kim, Myung-Hoon; Kim, Michelle S.

2016-01-01

A visual regression analysis using the least absolutes method (LAB) was developed, utilizing an interactive approach of visually minimizing the sum of the absolute deviations (SAB) using a bar graph in Excel; the results agree very well with those obtained from nonvisual LAB using a numerical Solver in Excel. These LAB results were compared with…

Perspective on Models in Theoretical and Practical Traditions of Knowledge: The Example of Otto Engine Animations

ERIC Educational Resources Information Center

Haglund, Jesper; Stromdahl, Helge

2012-01-01

Nineteen informants (n = 19) were asked to study and comment two computer animations of the Otto combustion engine. One animation was non-interactive and realistic in the sense of depicting a physical engine. The other animation was more idealised, interactive and synchronised with a dynamic PV-graph. The informants represented practical and…

Interactive-cut: Real-time feedback segmentation for translational research.

PubMed

Egger, Jan; Lüddemann, Tobias; Schwarzenberg, Robert; Freisleben, Bernd; Nimsky, Christopher

2014-06-01

In this contribution, a scale-invariant image segmentation algorithm is introduced that "wraps" the algorithm's parameters for the user by its interactive behavior, avoiding the definition of "arbitrary" numbers that the user cannot really understand. Therefore, we designed a specific graph-based segmentation method that only requires a single seed-point inside the target-structure from the user and is thus particularly suitable for immediate processing and interactive, real-time adjustments by the user. In addition, color or gray value information that is needed for the approach can be automatically extracted around the user-defined seed point. Furthermore, the graph is constructed in such a way, so that a polynomial-time mincut computation can provide the segmentation result within a second on an up-to-date computer. The algorithm presented here has been evaluated with fixed seed points on 2D and 3D medical image data, such as brain tumors, cerebral aneurysms and vertebral bodies. Direct comparison of the obtained automatic segmentation results with costlier, manual slice-by-slice segmentations performed by trained physicians, suggest a strong medical relevance of this interactive approach. Copyright © 2014 Elsevier Ltd. All rights reserved.

Equilibrium and nonequilibrium properties of Boolean decision problems on scale-free graphs with competing interactions with external biases

NASA Astrophysics Data System (ADS)

Zhu, Zheng; Andresen, Juan Carlos; Janzen, Katharina; Katzgraber, Helmut G.

2013-03-01

We study the equilibrium and nonequilibrium properties of Boolean decision problems with competing interactions on scale-free graphs in a magnetic field. Previous studies at zero field have shown a remarkable equilibrium stability of Boolean variables (Ising spins) with competing interactions (spin glasses) on scale-free networks. When the exponent that describes the power-law decay of the connectivity of the network is strictly larger than 3, the system undergoes a spin-glass transition. However, when the exponent is equal to or less than 3, the glass phase is stable for all temperatures. First we perform finite-temperature Monte Carlo simulations in a field to test the robustness of the spin-glass phase and show, in agreement with analytical calculations, that the system exhibits a de Almeida-Thouless line. Furthermore, we study avalanches in the system at zero temperature to see if the system displays self-organized criticality. This would suggest that damage (avalanches) can spread across the whole system with nonzero probability, i.e., that Boolean decision problems on scale-free networks with competing interactions are fragile when not in thermal equilibrium.

An Approach to Model Based Testing of Multiagent Systems

PubMed Central

Nadeem, Aamer

2015-01-01

Autonomous agents perform on behalf of the user to achieve defined goals or objectives. They are situated in dynamic environment and are able to operate autonomously to achieve their goals. In a multiagent system, agents cooperate with each other to achieve a common goal. Testing of multiagent systems is a challenging task due to the autonomous and proactive behavior of agents. However, testing is required to build confidence into the working of a multiagent system. Prometheus methodology is a commonly used approach to design multiagents systems. Systematic and thorough testing of each interaction is necessary. This paper proposes a novel approach to testing of multiagent systems based on Prometheus design artifacts. In the proposed approach, different interactions between the agent and actors are considered to test the multiagent system. These interactions include percepts and actions along with messages between the agents which can be modeled in a protocol diagram. The protocol diagram is converted into a protocol graph, on which different coverage criteria are applied to generate test paths that cover interactions between the agents. A prototype tool has been developed to generate test paths from protocol graph according to the specified coverage criterion. PMID:25874263

Fuzzy Edge Connectivity of Graphical Fuzzy State Space Model in Multi-connected System

NASA Astrophysics Data System (ADS)

Harish, Noor Ainy; Ismail, Razidah; Ahmad, Tahir

2010-11-01

Structured networks of interacting components illustrate complex structure in a direct or intuitive way. Graph theory provides a mathematical modeling for studying interconnection among elements in natural and man-made systems. On the other hand, directed graph is useful to define and interpret the interconnection structure underlying the dynamics of the interacting subsystem. Fuzzy theory provides important tools in dealing various aspects of complexity, imprecision and fuzziness of the network structure of a multi-connected system. Initial development for systems of Fuzzy State Space Model (FSSM) and a fuzzy algorithm approach were introduced with the purpose of solving the inverse problems in multivariable system. In this paper, fuzzy algorithm is adapted in order to determine the fuzzy edge connectivity between subsystems, in particular interconnected system of Graphical Representation of FSSM. This new approach will simplify the schematic diagram of interconnection of subsystems in a multi-connected system.

Detection of protein complex from protein-protein interaction network using Markov clustering

NASA Astrophysics Data System (ADS)

Ochieng, P. J.; Kusuma, W. A.; Haryanto, T.

2017-05-01

Detection of complexes, or groups of functionally related proteins, is an important challenge while analysing biological networks. However, existing algorithms to identify protein complexes are insufficient when applied to dense networks of experimentally derived interaction data. Therefore, we introduced a graph clustering method based on Markov clustering algorithm to identify protein complex within highly interconnected protein-protein interaction networks. Protein-protein interaction network was first constructed to develop geometrical network, the network was then partitioned using Markov clustering to detect protein complexes. The interest of the proposed method was illustrated by its application to Human Proteins associated to type II diabetes mellitus. Flow simulation of MCL algorithm was initially performed and topological properties of the resultant network were analysed for detection of the protein complex. The results indicated the proposed method successfully detect an overall of 34 complexes with 11 complexes consisting of overlapping modules and 20 non-overlapping modules. The major complex consisted of 102 proteins and 521 interactions with cluster modularity and density of 0.745 and 0.101 respectively. The comparison analysis revealed MCL out perform AP, MCODE and SCPS algorithms with high clustering coefficient (0.751) network density and modularity index (0.630). This demonstrated MCL was the most reliable and efficient graph clustering algorithm for detection of protein complexes from PPI networks.

Neural networks for link prediction in realistic biomedical graphs: a multi-dimensional evaluation of graph embedding-based approaches.

PubMed

Crichton, Gamal; Guo, Yufan; Pyysalo, Sampo; Korhonen, Anna

2018-05-21

Link prediction in biomedical graphs has several important applications including predicting Drug-Target Interactions (DTI), Protein-Protein Interaction (PPI) prediction and Literature-Based Discovery (LBD). It can be done using a classifier to output the probability of link formation between nodes. Recently several works have used neural networks to create node representations which allow rich inputs to neural classifiers. Preliminary works were done on this and report promising results. However they did not use realistic settings like time-slicing, evaluate performances with comprehensive metrics or explain when or why neural network methods outperform. We investigated how inputs from four node representation algorithms affect performance of a neural link predictor on random- and time-sliced biomedical graphs of real-world sizes (∼ 6 million edges) containing information relevant to DTI, PPI and LBD. We compared the performance of the neural link predictor to those of established baselines and report performance across five metrics. In random- and time-sliced experiments when the neural network methods were able to learn good node representations and there was a negligible amount of disconnected nodes, those approaches outperformed the baselines. In the smallest graph (∼ 15,000 edges) and in larger graphs with approximately 14% disconnected nodes, baselines such as Common Neighbours proved a justifiable choice for link prediction. At low recall levels (∼ 0.3) the approaches were mostly equal, but at higher recall levels across all nodes and average performance at individual nodes, neural network approaches were superior. Analysis showed that neural network methods performed well on links between nodes with no previous common neighbours; potentially the most interesting links. Additionally, while neural network methods benefit from large amounts of data, they require considerable amounts of computational resources to utilise them. Our results indicate that when there is enough data for the neural network methods to use and there are a negligible amount of disconnected nodes, those approaches outperform the baselines. At low recall levels the approaches are mostly equal but at higher recall levels and average performance at individual nodes, neural network approaches are superior. Performance at nodes without common neighbours which indicate more unexpected and perhaps more useful links account for this.

GeNNet: an integrated platform for unifying scientific workflows and graph databases for transcriptome data analysis

PubMed Central

Gadelha, Luiz; Ribeiro-Alves, Marcelo; Porto, Fábio

2017-01-01

There are many steps in analyzing transcriptome data, from the acquisition of raw data to the selection of a subset of representative genes that explain a scientific hypothesis. The data produced can be represented as networks of interactions among genes and these may additionally be integrated with other biological databases, such as Protein-Protein Interactions, transcription factors and gene annotation. However, the results of these analyses remain fragmented, imposing difficulties, either for posterior inspection of results, or for meta-analysis by the incorporation of new related data. Integrating databases and tools into scientific workflows, orchestrating their execution, and managing the resulting data and its respective metadata are challenging tasks. Additionally, a great amount of effort is equally required to run in-silico experiments to structure and compose the information as needed for analysis. Different programs may need to be applied and different files are produced during the experiment cycle. In this context, the availability of a platform supporting experiment execution is paramount. We present GeNNet, an integrated transcriptome analysis platform that unifies scientific workflows with graph databases for selecting relevant genes according to the evaluated biological systems. It includes GeNNet-Wf, a scientific workflow that pre-loads biological data, pre-processes raw microarray data and conducts a series of analyses including normalization, differential expression inference, clusterization and gene set enrichment analysis. A user-friendly web interface, GeNNet-Web, allows for setting parameters, executing, and visualizing the results of GeNNet-Wf executions. To demonstrate the features of GeNNet, we performed case studies with data retrieved from GEO, particularly using a single-factor experiment in different analysis scenarios. As a result, we obtained differentially expressed genes for which biological functions were analyzed. The results are integrated into GeNNet-DB, a database about genes, clusters, experiments and their properties and relationships. The resulting graph database is explored with queries that demonstrate the expressiveness of this data model for reasoning about gene interaction networks. GeNNet is the first platform to integrate the analytical process of transcriptome data with graph databases. It provides a comprehensive set of tools that would otherwise be challenging for non-expert users to install and use. Developers can add new functionality to components of GeNNet. The derived data allows for testing previous hypotheses about an experiment and exploring new ones through the interactive graph database environment. It enables the analysis of different data on humans, rhesus, mice and rat coming from Affymetrix platforms. GeNNet is available as an open source platform at https://github.com/raquele/GeNNet and can be retrieved as a software container with the command docker pull quelopes/gennet. PMID:28695067

GeNNet: an integrated platform for unifying scientific workflows and graph databases for transcriptome data analysis.

PubMed

Costa, Raquel L; Gadelha, Luiz; Ribeiro-Alves, Marcelo; Porto, Fábio

2017-01-01

There are many steps in analyzing transcriptome data, from the acquisition of raw data to the selection of a subset of representative genes that explain a scientific hypothesis. The data produced can be represented as networks of interactions among genes and these may additionally be integrated with other biological databases, such as Protein-Protein Interactions, transcription factors and gene annotation. However, the results of these analyses remain fragmented, imposing difficulties, either for posterior inspection of results, or for meta-analysis by the incorporation of new related data. Integrating databases and tools into scientific workflows, orchestrating their execution, and managing the resulting data and its respective metadata are challenging tasks. Additionally, a great amount of effort is equally required to run in-silico experiments to structure and compose the information as needed for analysis. Different programs may need to be applied and different files are produced during the experiment cycle. In this context, the availability of a platform supporting experiment execution is paramount. We present GeNNet, an integrated transcriptome analysis platform that unifies scientific workflows with graph databases for selecting relevant genes according to the evaluated biological systems. It includes GeNNet-Wf, a scientific workflow that pre-loads biological data, pre-processes raw microarray data and conducts a series of analyses including normalization, differential expression inference, clusterization and gene set enrichment analysis. A user-friendly web interface, GeNNet-Web, allows for setting parameters, executing, and visualizing the results of GeNNet-Wf executions. To demonstrate the features of GeNNet, we performed case studies with data retrieved from GEO, particularly using a single-factor experiment in different analysis scenarios. As a result, we obtained differentially expressed genes for which biological functions were analyzed. The results are integrated into GeNNet-DB, a database about genes, clusters, experiments and their properties and relationships. The resulting graph database is explored with queries that demonstrate the expressiveness of this data model for reasoning about gene interaction networks. GeNNet is the first platform to integrate the analytical process of transcriptome data with graph databases. It provides a comprehensive set of tools that would otherwise be challenging for non-expert users to install and use. Developers can add new functionality to components of GeNNet. The derived data allows for testing previous hypotheses about an experiment and exploring new ones through the interactive graph database environment. It enables the analysis of different data on humans, rhesus, mice and rat coming from Affymetrix platforms. GeNNet is available as an open source platform at https://github.com/raquele/GeNNet and can be retrieved as a software container with the command docker pull quelopes/gennet.

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.

Multiresolution analysis over graphs for a motor imagery based online BCI game.

PubMed

Asensio-Cubero, Javier; Gan, John Q; Palaniappan, Ramaswamy

2016-01-01

Multiresolution analysis (MRA) over graph representation of EEG data has proved to be a promising method for offline brain-computer interfacing (BCI) data analysis. For the first time we aim to prove the feasibility of the graph lifting transform in an online BCI system. Instead of developing a pointer device or a wheel-chair controller as test bed for human-machine interaction, we have designed and developed an engaging game which can be controlled by means of imaginary limb movements. Some modifications to the existing MRA analysis over graphs for BCI have also been proposed, such as the use of common spatial patterns for feature extraction at the different levels of decomposition, and sequential floating forward search as a best basis selection technique. In the online game experiment we obtained for three classes an average classification rate of 63.0% for fourteen naive subjects. The application of a best basis selection method helps significantly decrease the computing resources needed. The present study allows us to further understand and assess the benefits of the use of tailored wavelet analysis for processing motor imagery data and contributes to the further development of BCI for gaming purposes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Three-dimensional choroidal segmentation in spectral OCT volumes using optic disc prior information

NASA Astrophysics Data System (ADS)

Hu, Zhihong; Girkin, Christopher A.; Hariri, Amirhossein; Sadda, SriniVas R.

2016-03-01

Recently, much attention has been focused on determining the role of the peripapillary choroid - the layer between the outer retinal pigment epithelium (RPE)/Bruchs membrane (BM) and choroid-sclera (C-S) junction, whether primary or secondary in the pathogenesis of glaucoma. However, the automated choroidal segmentation in spectral-domain optical coherence tomography (SD-OCT) images of optic nerve head (ONH) has not been reported probably due to the fact that the presence of the BM opening (BMO, corresponding to the optic disc) can deflect the choroidal segmentation from its correct position. The purpose of this study is to develop a 3D graph-based approach to identify the 3D choroidal layer in ONH-centered SD-OCT images using the BMO prior information. More specifically, an initial 3D choroidal segmentation was first performed using the 3D graph search algorithm. Note that varying surface interaction constraints based on the choroidal morphological model were applied. To assist the choroidal segmentation, two other surfaces of internal limiting membrane and innerouter segment junction were also segmented. Based on the segmented layer between the RPE/BM and C-S junction, a 2D projection map was created. The BMO in the projection map was detected by a 2D graph search. The pre-defined BMO information was then incorporated into the surface interaction constraints of the 3D graph search to obtain more accurate choroidal segmentation. Twenty SD-OCT images from 20 healthy subjects were used. The mean differences of the choroidal borders between the algorithm and manual segmentation were at a sub-voxel level, indicating a high level segmentation accuracy.

Network reconstruction based on proteomic data and prior knowledge of protein connectivity using graph theory.

PubMed

Stavrakas, Vassilis; Melas, Ioannis N; Sakellaropoulos, Theodore; Alexopoulos, Leonidas G

2015-01-01

Modeling of signal transduction pathways is instrumental for understanding cells' function. People have been tackling modeling of signaling pathways in order to accurately represent the signaling events inside cells' biochemical microenvironment in a way meaningful for scientists in a biological field. In this article, we propose a method to interrogate such pathways in order to produce cell-specific signaling models. We integrate available prior knowledge of protein connectivity, in a form of a Prior Knowledge Network (PKN) with phosphoproteomic data to construct predictive models of the protein connectivity of the interrogated cell type. Several computational methodologies focusing on pathways' logic modeling using optimization formulations or machine learning algorithms have been published on this front over the past few years. Here, we introduce a light and fast approach that uses a breadth-first traversal of the graph to identify the shortest pathways and score proteins in the PKN, fitting the dependencies extracted from the experimental design. The pathways are then combined through a heuristic formulation to produce a final topology handling inconsistencies between the PKN and the experimental scenarios. Our results show that the algorithm we developed is efficient and accurate for the construction of medium and large scale signaling networks. We demonstrate the applicability of the proposed approach by interrogating a manually curated interaction graph model of EGF/TNFA stimulation against made up experimental data. To avoid the possibility of erroneous predictions, we performed a cross-validation analysis. Finally, we validate that the introduced approach generates predictive topologies, comparable to the ILP formulation. Overall, an efficient approach based on graph theory is presented herein to interrogate protein-protein interaction networks and to provide meaningful biological insights.

LOGISMOS—Layered Optimal Graph Image Segmentation of Multiple Objects and Surfaces: Cartilage Segmentation in the Knee Joint

PubMed Central

Zhang, Xiangmin; Williams, Rachel; Wu, Xiaodong; Anderson, Donald D.; Sonka, Milan

2011-01-01

A novel method for simultaneous segmentation of multiple interacting surfaces belonging to multiple interacting objects, called LOGISMOS (layered optimal graph image segmentation of multiple objects and surfaces), is reported. The approach is based on the algorithmic incorporation of multiple spatial inter-relationships in a single n-dimensional graph, followed by graph optimization that yields a globally optimal solution. The LOGISMOS method’s utility and performance are demonstrated on a bone and cartilage segmentation task in the human knee joint. Although trained on only a relatively small number of nine example images, this system achieved good performance. Judged by dice similarity coefficients (DSC) using a leave-one-out test, DSC values of 0.84 ± 0.04, 0.80 ± 0.04 and 0.80 ± 0.04 were obtained for the femoral, tibial, and patellar cartilage regions, respectively. These are excellent DSC values, considering the narrow-sheet character of the cartilage regions. Similarly, low signed mean cartilage thickness errors were obtained when compared to a manually-traced independent standard in 60 randomly selected 3-D MR image datasets from the Osteoarthritis Initiative database—0.11 ± 0.24, 0.05 ± 0.23, and 0.03 ± 0.17 mm for the femoral, tibial, and patellar cartilage thickness, respectively. The average signed surface positioning errors for the six detected surfaces ranged from 0.04 ± 0.12 mm to 0.16 ± 0.22 mm. The reported LOGISMOS framework provides robust and accurate segmentation of the knee joint bone and cartilage surfaces of the femur, tibia, and patella. As a general segmentation tool, the developed framework can be applied to a broad range of multiobject multisurface segmentation problems. PMID:20643602

The Economics of Energy: A Teaching Kit (Grades 7-12).

ERIC Educational Resources Information Center

Horwich, George; And Others

In this six part handbook, secondary school teachers and students are provided with information and concepts needed to analyze the energy situation from an economic perspective. Part 1 begins with an economic analysis of the U.S. energy situation. It includes charts, graphs, and readings on energy use before 1970, consequences of oil supply…

Karasek Home, Blackstone, Massachusetts solar-energy-system performance evaluation, Nov. 1981 - Mar. 1982

NASA Astrophysics Data System (ADS)

Raymond, M.

1982-06-01

The Karasek Home is a single family Massachusetts residence whose active-solar-energy system is equipped with 640 square feet of trickle-down liquid flat-plate collectors, storage in a 300-gallon tank and a 2000-gallon tank embedded in a rock bin in the basement, and an oil-fired glass-lined 40-gallon domestic hot water tank for auxiliary water and space heating. Monthly performance data are tabulated for the overall system and for the collector, storage, space heating, and domestic hot water subsystems. For each month a graph is presented of collector array efficiency versus the difference between the inlet water temperature and ambient temperature divided by insolation. Typical system operation is illustrated by graphs of insolation and temperatures at different parts of the system versus time for a typical day. The typical system operating sequence for a day is also graphed as well as solar energy utilization and heat losses.

The structured ancestral selection graph and the many-demes limit.

PubMed

Slade, Paul F; Wakeley, John

2005-02-01

We show that the unstructured ancestral selection graph applies to part of the history of a sample from a population structured by restricted migration among subpopulations, or demes. The result holds in the limit as the number of demes tends to infinity with proportionately weak selection, and we have also made the assumptions of island-type migration and that demes are equivalent in size. After an instantaneous sample-size adjustment, this structured ancestral selection graph converges to an unstructured ancestral selection graph with a mutation parameter that depends inversely on the migration rate. In contrast, the selection parameter for the population is independent of the migration rate and is identical to the selection parameter in an unstructured population. We show analytically that estimators of the migration rate, based on pairwise sequence differences, derived under the assumption of neutrality should perform equally well in the presence of weak selection. We also modify an algorithm for simulating genealogies conditional on the frequencies of two selected alleles in a sample. This permits efficient simulation of stronger selection than was previously possible. Using this new algorithm, we simulate gene genealogies under the many-demes ancestral selection graph and identify some situations in which migration has a strong effect on the time to the most recent common ancestor of the sample. We find that a similar effect also increases the sensitivity of the genealogy to selection.

A Graph-Algorithmic Approach for the Study of Metastability in Markov Chains

NASA Astrophysics Data System (ADS)

Gan, Tingyue; Cameron, Maria

2017-06-01

Large continuous-time Markov chains with exponentially small transition rates arise in modeling complex systems in physics, chemistry, and biology. We propose a constructive graph-algorithmic approach to determine the sequence of critical timescales at which the qualitative behavior of a given Markov chain changes, and give an effective description of the dynamics on each of them. This approach is valid for both time-reversible and time-irreversible Markov processes, with or without symmetry. Central to this approach are two graph algorithms, Algorithm 1 and Algorithm 2, for obtaining the sequences of the critical timescales and the hierarchies of Typical Transition Graphs or T-graphs indicating the most likely transitions in the system without and with symmetry, respectively. The sequence of critical timescales includes the subsequence of the reciprocals of the real parts of eigenvalues. Under a certain assumption, we prove sharp asymptotic estimates for eigenvalues (including pre-factors) and show how one can extract them from the output of Algorithm 1. We discuss the relationship between Algorithms 1 and 2 and explain how one needs to interpret the output of Algorithm 1 if it is applied in the case with symmetry instead of Algorithm 2. Finally, we analyze an example motivated by R. D. Astumian's model of the dynamics of kinesin, a molecular motor, by means of Algorithm 2.

Synthesis of Polyferrocenylsilane Block Copolymers and their Crystallization-Driven Self-Assembly in Protic Solvents

NASA Astrophysics Data System (ADS)

Zhou, Hang

Quantum walks are the quantum mechanical analogue of classical random walks. Discrete-time quantum walks have been introduced and studied mostly on the line Z or higher dimensional space Zd but rarely defined on graphs with fractal dimensions because the coin operator depends on the position and the Fourier transform on the fractals is not defined. Inspired by its nature of classical walks, different quantum walks will be defined by choosing different shift and coin operators. When the coin operator is uniform, the results of classical walks will be obtained upon measurement at each step. Moreover, with measurement at each step, our results reveal more information about the classical random walks. In this dissertation, two graphs with fractal dimensions will be considered. The first one is Sierpinski gasket, a degree-4 regular graph with Hausdorff dimension of df = ln 3/ ln 2. The second is the Cantor graph derived like Cantor set, with Hausdorff dimension of df = ln 2/ ln 3. The definitions and amplitude functions of the quantum walks will be introduced. The main part of this dissertation is to derive a recursive formula to compute the amplitude Green function. The exiting probability will be computed and compared with the classical results. When the generation of graphs goes to infinity, the recursion of the walks will be investigated and the convergence rates will be obtained and compared with the classical counterparts.

Two-character motion analysis and synthesis.

PubMed

Kwon, Taesoo; Cho, Young-Sang; Park, Sang Il; Shin, Sung Yong

2008-01-01

In this paper, we deal with the problem of synthesizing novel motions of standing-up martial arts such as Kickboxing, Karate, and Taekwondo performed by a pair of human-like characters while reflecting their interactions. Adopting an example-based paradigm, we address three non-trivial issues embedded in this problem: motion modeling, interaction modeling, and motion synthesis. For the first issue, we present a semi-automatic motion labeling scheme based on force-based motion segmentation and learning-based action classification. We also construct a pair of motion transition graphs each of which represents an individual motion stream. For the second issue, we propose a scheme for capturing the interactions between two players. A dynamic Bayesian network is adopted to build a motion transition model on top of the coupled motion transition graph that is constructed from an example motion stream. For the last issue, we provide a scheme for synthesizing a novel sequence of coupled motions, guided by the motion transition model. Although the focus of the present work is on martial arts, we believe that the framework of the proposed approach can be conveyed to other two-player motions as well.

Comparison of thyroid segmentation techniques for 3D ultrasound

NASA Astrophysics Data System (ADS)

Wunderling, T.; Golla, B.; Poudel, P.; Arens, C.; Friebe, M.; Hansen, C.

2017-02-01

The segmentation of the thyroid in ultrasound images is a field of active research. The thyroid is a gland of the endocrine system and regulates several body functions. Measuring the volume of the thyroid is regular practice of diagnosing pathological changes. In this work, we compare three approaches for semi-automatic thyroid segmentation in freehand-tracked three-dimensional ultrasound images. The approaches are based on level set, graph cut and feature classification. For validation, sixteen 3D ultrasound records were created with ground truth segmentations, which we make publicly available. The properties analyzed are the Dice coefficient when compared against the ground truth reference and the effort of required interaction. Our results show that in terms of Dice coefficient, all algorithms perform similarly. For interaction, however, each algorithm has advantages over the other. The graph cut-based approach gives the practitioner direct influence on the final segmentation. Level set and feature classifier require less interaction, but offer less control over the result. All three compared methods show promising results for future work and provide several possible extensions.

Dissolving variables in connectionist combinatory logic

NASA Technical Reports Server (NTRS)

Barnden, John; Srinivas, Kankanahalli

1990-01-01

A connectionist system which can represent and execute combinator expressions to elegantly solve the variable binding problem in connectionist networks is presented. This system is a graph reduction machine utilizing graph representations and traversal mechanisms similar to ones described in the BoltzCONS system of Touretzky (1986). It is shown that, as combinators eliminate variables by introducing special functions, these functions can be connectionistically implemented without reintroducing variable binding. This approach 'dissolves' an important part of the variable binding problem, in that a connectionist system still has to manipulate complex data structures, but those structures and their manipulations are rendered more uniform.

Hologram production and representation for corrected image

NASA Astrophysics Data System (ADS)

Jiao, Gui Chao; Zhang, Rui; Su, Xue Mei

2015-12-01

In this paper, a CCD sensor device is used to record the distorted homemade grid images which are taken by a wide angle camera. The distorted images are corrected by using methods of position calibration and correction of gray with vc++ 6.0 and opencv software. Holography graphes for the corrected pictures are produced. The clearly reproduced images are obtained where Fresnel algorithm is used in graph processing by reducing the object and reference light from Fresnel diffraction to delete zero-order part of the reproduced images. The investigation is useful in optical information processing and image encryption transmission.

Statistical Inference for Cultural Consensus Theory

DTIC Science & Technology

2014-02-24

Social Network Conference XXXII , Redondo Beach, California, March 2012. Agrawal, K. (Presenter), and Batchelder, W. H. Cultural Consensus Theory...Aggregating Complete Signed Graphs Under a Balance Constraint -- Part 2. International Sunbelt Social Network Conference XXXII , Redondo Beach

Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate.

PubMed

Smith, Graham; Wermuth, Urs D

2010-12-01

The structures of the anhydrous 1:1 proton-transfer compounds of isonipecotamide (piperidine-4-carboxamide) with picric acid and 3,5-dinitrosalicylic acid, namely 4-carbamoylpiperidinium 2,4,6-trinitrophenolate, C(6)H(13)N(2)O(+)·C(6)H(2)N(3)O(7)(-), (I), and 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate [two forms of which were found, the monoclinic α-polymorph, (II), and the triclinic β-polymorph, (III)], C(6)H(13)N(2)O(+)·C(7)H(3)N(2)O(7)(-), have been determined at 200 K. All three compounds form hydrogen-bonded structures, viz. one-dimensional in (II), two-dimensional in (I) and three-dimensional in (III). In (I), the cations form centrosymmetric cyclic head-to-tail hydrogen-bonded homodimers [graph set R(2)(2)(14)] through lateral duplex piperidinium-amide N-H...O interactions. These dimers are extended into a two-dimensional network structure through further interactions with phenolate and nitro O-atom acceptors, including a direct symmetric piperidinium-phenol/nitro N-H...O,O cation-anion association [graph set R(1)(2)(6)]. The monoclinic polymorph, (II), has a similar R(1)(2)(6) cation-anion hydrogen-bonding interaction to (I) but with an additional conjoint symmetrical R(1)(2)(4) interaction as well as head-to-tail piperidinium-amide N-H...O,O hydrogen bonds and amide-carboxyl N-H...O hydrogen bonds, giving a network structure which includes large R(4)(3)(20) rings. The hydrogen bonding in the triclinic polymorph, (III), is markedly different from that of monoclinic (II). The asymmetric unit contains two independent cation-anion pairs which associate through cyclic piperidinium-carboxyl N-H...O,O' interactions [graph set R(1)(2)(4)]. The cations also show the zigzag head-to-tail piperidinium-amide N-H...O hydrogen-bonded chain substructures found in (II), but in addition feature amide-nitro and amide-phenolate N-H...O associations. As well, there is a centrosymmetric double-amide N-H...O(carboxyl) bridged bis(cation-anion) ring system [graph set R(4)(2)(8)] in the three-dimensional framework. The structures reported here demonstrate the utility of the isonipecotamide cation as a synthon with previously unrecognized potential for structure assembly applications. Furthermore, the structures of the two polymorphic 3,5-dinitrosalicylic acid salts show an unusual dissimilarity in hydrogen-bonding characteristics, considering that both were obtained from identical solvent systems.

Kidney segmentation in CT sequences using graph cuts based active contours model and contextual continuity.

PubMed

Zhang, Pin; Liang, Yanmei; Chang, Shengjiang; Fan, Hailun

2013-08-01

Accurate segmentation of renal tissues in abdominal computed tomography (CT) image sequences is an indispensable step for computer-aided diagnosis and pathology detection in clinical applications. In this study, the goal is to develop a radiology tool to extract renal tissues in CT sequences for the management of renal diagnosis and treatments. In this paper, the authors propose a new graph-cuts-based active contours model with an adaptive width of narrow band for kidney extraction in CT image sequences. Based on graph cuts and contextual continuity, the segmentation is carried out slice-by-slice. In the first stage, the middle two adjacent slices in a CT sequence are segmented interactively based on the graph cuts approach. Subsequently, the deformable contour evolves toward the renal boundaries by the proposed model for the kidney extraction of the remaining slices. In this model, the energy function combining boundary with regional information is optimized in the constructed graph and the adaptive search range is determined by contextual continuity and the object size. In addition, in order to reduce the complexity of the min-cut computation, the nodes in the graph only have n-links for fewer edges. The total 30 CT images sequences with normal and pathological renal tissues are used to evaluate the accuracy and effectiveness of our method. The experimental results reveal that the average dice similarity coefficient of these image sequences is from 92.37% to 95.71% and the corresponding standard deviation for each dataset is from 2.18% to 3.87%. In addition, the average automatic segmentation time for one kidney in each slice is about 0.36 s. Integrating the graph-cuts-based active contours model with contextual continuity, the algorithm takes advantages of energy minimization and the characteristics of image sequences. The proposed method achieves effective results for kidney segmentation in CT sequences.

Using Bond Graphs for Articulated, Flexible Multi-bodies, Sensors, Actuators, and Controllers with Application to the International Space Station

NASA Technical Reports Server (NTRS)

Montgomery, Raymond C.; Granda, Jose J.

2003-01-01

Conceptually, modeling of flexible, multi-body systems involves a formulation as a set of time-dependent partial differential equations. However, for practical, engineering purposes, this modeling is usually done using the method of Finite Elements, which approximates the set of partial differential equations, thus generalizing the approach to all continuous media. This research investigates the links between the Bond Graph method and the classical methods used to develop system models and advocates the Bond Graph Methodology and current bond graph tools as alternate approaches that will lead to a quick and precise understanding of a flexible multi-body system under automatic control. For long endurance, complex spacecraft, because of articulation and mission evolution the model of the physical system may change frequently. So a method of automatic generation and regeneration of system models that does not lead to implicit equations, as does the Lagrange equation approach, is desirable. The bond graph method has been shown to be amenable to automatic generation of equations with appropriate consideration of causality. Indeed human-interactive software now exists that automatically generates both symbolic and numeric system models and evaluates causality as the user develops the model, e.g. the CAMP-G software package. In this paper the CAMP-G package is used to generate a bond graph model of the International Space Station (ISS) at an early stage in its assembly, Zvezda. The ISS is an ideal example because it is a collection of bodies that are articulated, many of which are highly flexible. Also many reaction jets are used to control translation and attitude, and many electric motors are used to articulate appendages, which consist of photovoltaic arrays and composite assemblies. The Zvezda bond graph model is compared to an existing model, which was generated by the NASA Johnson Space Center during the Verification and Analysis Cycle of Zvezda.

Quantum Walk Schemes for Universal Quantum Computation

NASA Astrophysics Data System (ADS)

Underwood, Michael S.

Random walks are a powerful tool for the efficient implementation of algorithms in classical computation. Their quantum-mechanical analogues, called quantum walks, hold similar promise. Quantum walks provide a model of quantum computation that has recently been shown to be equivalent in power to the standard circuit model. As in the classical case, quantum walks take place on graphs and can undergo discrete or continuous evolution, though quantum evolution is unitary and therefore deterministic until a measurement is made. This thesis considers the usefulness of continuous-time quantum walks to quantum computation from the perspectives of both their fundamental power under various formulations, and their applicability in practical experiments. In one extant scheme, logical gates are effected by scattering processes. The results of an exhaustive search for single-qubit operations in this model are presented. It is shown that the number of distinct operations increases exponentially with the number of vertices in the scattering graph. A catalogue of all graphs on up to nine vertices that implement single-qubit unitaries at a specific set of momenta is included in an appendix. I develop a novel scheme for universal quantum computation called the discontinuous quantum walk, in which a continuous-time quantum walker takes discrete steps of evolution via perfect quantum state transfer through small 'widget' graphs. The discontinuous quantum-walk scheme requires an exponentially sized graph, as do prior discrete and continuous schemes. To eliminate the inefficient vertex resource requirement, a computation scheme based on multiple discontinuous walkers is presented. In this model, n interacting walkers inhabiting a graph with 2n vertices can implement an arbitrary quantum computation on an input of length n, an exponential savings over previous universal quantum walk schemes. This is the first quantum walk scheme that allows for the application of quantum error correction. The many-particle quantum walk can be viewed as a single quantum walk undergoing perfect state transfer on a larger weighted graph, obtained via equitable partitioning. I extend this formalism to non-simple graphs. Examples of the application of equitable partitioning to the analysis of quantum walks and many-particle quantum systems are discussed.

An Expert System toward Buiding An Earth Science Knowledge Graph

NASA Astrophysics Data System (ADS)

Zhang, J.; Duan, X.; Ramachandran, R.; Lee, T. J.; Bao, Q.; Gatlin, P. N.; Maskey, M.

2017-12-01

In this ongoing work, we aim to build foundations of Cognitive Computing for Earth Science research. The goal of our project is to develop an end-to-end automated methodology for incrementally constructing Knowledge Graphs for Earth Science (KG4ES). These knowledge graphs can then serve as the foundational components for building cognitive systems in Earth science, enabling researchers to uncover new patterns and hypotheses that are virtually impossible to identify today. In addition, this research focuses on developing mining algorithms needed to exploit these constructed knowledge graphs. As such, these graphs will free knowledge from publications that are generated in a very linear, deterministic manner, and structure knowledge in a way that users can both interact and connect with relevant pieces of information. Our major contributions are two-fold. First, we have developed an end-to-end methodology for constructing Knowledge Graphs for Earth Science (KG4ES) using existing corpus of journal papers and reports. One of the key challenges in any machine learning, especially deep learning applications, is the need for robust and large training datasets. We have developed techniques capable of automatically retraining models and incrementally building and updating KG4ES, based on ever evolving training data. We also adopt the evaluation instrument based on common research methodologies used in Earth science research, especially in Atmospheric Science. Second, we have developed an algorithm to infer new knowledge that can exploit the constructed KG4ES. In more detail, we have developed a network prediction algorithm aiming to explore and predict possible new connections in the KG4ES and aid in new knowledge discovery.

The Shoreline Management Tool - an ArcMap tool for analyzing water depth, inundated area, volume, and selected habitats, with an example for the lower Wood River Valley, Oregon

USGS Publications Warehouse

Snyder, Daniel T.; Haluska, Tana L.; Respini-Irwin, Darius

2013-01-01

The Shoreline Management Tool is a geographic information system (GIS) based program developed to assist water- and land-resource managers in assessing the benefits and effects of changes in surface-water stage on water depth, inundated area, and water volume. Additionally, the Shoreline Management Tool can be used to identify aquatic or terrestrial habitat areas where conditions may be suitable for specific plants or animals as defined by user-specified criteria including water depth, land-surface slope, and land-surface aspect. The tool can also be used to delineate areas for use in determining a variety of hydrologic budget components such as surface-water storage, precipitation, runoff, or evapotranspiration. The Shoreline Management Tool consists of two parts, a graphical user interface for use with Esri™ ArcMap™ GIS software to interact with the user to define scenarios and map results, and a spreadsheet in Microsoft® Excel® developed to display tables and graphs of the results. The graphical user interface allows the user to define a scenario consisting of an inundation level (stage), land areas (parcels), and habitats (areas meeting user-specified conditions) based on water depth, slope, and aspect criteria. The tool uses data consisting of land-surface elevation, tables of stage/volume and stage/area, and delineated parcel boundaries to produce maps (data layers) of inundated areas and areas that meet the habitat criteria. The tool can be run in a Single-Time Scenario mode or in a Time-Series Scenario mode, which uses an input file of dates and associated stages. The spreadsheet part of the tool uses a macro to process the results from the graphical user interface to create tables and graphs of inundated water volume, inundated area, dry area, and mean water depth for each land parcel based on the user-specified stage. The macro also creates tables and graphs of the area, perimeter, and number of polygons comprising the user-specified habitat areas within each parcel. The Shoreline Management Tool is highly transferable, using easily generated or readily available data. The capabilities of the tool are demonstrated using data from the lower Wood River Valley adjacent to Upper Klamath and Agency Lakes in southern Oregon.

Gibbsian Stationary Non-equilibrium States

NASA Astrophysics Data System (ADS)

De Carlo, Leonardo; Gabrielli, Davide

2017-09-01

We study the structure of stationary non-equilibrium states for interacting particle systems from a microscopic viewpoint. In particular we discuss two different discrete geometric constructions. We apply both of them to determine non reversible transition rates corresponding to a fixed invariant measure. The first one uses the equivalence of this problem with the construction of divergence free flows on the transition graph. Since divergence free flows are characterized by cyclic decompositions we can generate families of models from elementary cycles on the configuration space. The second construction is a functional discrete Hodge decomposition for translational covariant discrete vector fields. According to this, for example, the instantaneous current of any interacting particle system on a finite torus can be canonically decomposed in a gradient part, a circulation term and an harmonic component. All the three components are associated with functions on the configuration space. This decomposition is unique and constructive. The stationary condition can be interpreted as an orthogonality condition with respect to an harmonic discrete vector field and we use this decomposition to construct models having a fixed invariant measure.

OpenMP Parallelization and Optimization of Graph-Based Machine Learning Algorithms

DOE PAGES

Meng, Zhaoyi; Koniges, Alice; He, Yun Helen; ...

2016-09-21

In this paper, we investigate the OpenMP parallelization and optimization of two novel data classification algorithms. The new algorithms are based on graph and PDE solution techniques and provide significant accuracy and performance advantages over traditional data classification algorithms in serial mode. The methods leverage the Nystrom extension to calculate eigenvalue/eigenvectors of the graph Laplacian and this is a self-contained module that can be used in conjunction with other graph-Laplacian based methods such as spectral clustering. We use performance tools to collect the hotspots and memory access of the serial codes and use OpenMP as the parallelization language to parallelizemore » the most time-consuming parts. Where possible, we also use library routines. We then optimize the OpenMP implementations and detail the performance on traditional supercomputer nodes (in our case a Cray XC30), and test the optimization steps on emerging testbed systems based on Intel’s Knights Corner and Landing processors. We show both performance improvement and strong scaling behavior. Finally, a large number of optimization techniques and analyses are necessary before the algorithm reaches almost ideal scaling.« less

Interferometric synthetic aperture radar phase unwrapping based on sparse Markov random fields by graph cuts

NASA Astrophysics Data System (ADS)

Zhou, Lifan; Chai, Dengfeng; Xia, Yu; Ma, Peifeng; Lin, Hui

2018-01-01

Phase unwrapping (PU) is one of the key processes in reconstructing the digital elevation model of a scene from its interferometric synthetic aperture radar (InSAR) data. It is known that two-dimensional (2-D) PU problems can be formulated as maximum a posteriori estimation of Markov random fields (MRFs). However, considering that the traditional MRF algorithm is usually defined on a rectangular grid, it fails easily if large parts of the wrapped data are dominated by noise caused by large low-coherence area or rapid-topography variation. A PU solution based on sparse MRF is presented to extend the traditional MRF algorithm to deal with sparse data, which allows the unwrapping of InSAR data dominated by high phase noise. To speed up the graph cuts algorithm for sparse MRF, we designed dual elementary graphs and merged them to obtain the Delaunay triangle graph, which is used to minimize the energy function efficiently. The experiments on simulated and real data, compared with other existing algorithms, both confirm the effectiveness of the proposed MRF approach, which suffers less from decorrelation effects caused by large low-coherence area or rapid-topography variation.

A Multilevel Gamma-Clustering Layout Algorithm for Visualization of Biological Networks

PubMed Central

Hruz, Tomas; Lucas, Christoph; Laule, Oliver; Zimmermann, Philip

2013-01-01

Visualization of large complex networks has become an indispensable part of systems biology, where organisms need to be considered as one complex system. The visualization of the corresponding network is challenging due to the size and density of edges. In many cases, the use of standard visualization algorithms can lead to high running times and poorly readable visualizations due to many edge crossings. We suggest an approach that analyzes the structure of the graph first and then generates a new graph which contains specific semantic symbols for regular substructures like dense clusters. We propose a multilevel gamma-clustering layout visualization algorithm (MLGA) which proceeds in three subsequent steps: (i) a multilevel γ-clustering is used to identify the structure of the underlying network, (ii) the network is transformed to a tree, and (iii) finally, the resulting tree which shows the network structure is drawn using a variation of a force-directed algorithm. The algorithm has a potential to visualize very large networks because it uses modern clustering heuristics which are optimized for large graphs. Moreover, most of the edges are removed from the visual representation which allows keeping the overview over complex graphs with dense subgraphs. PMID:23864855

An improved approach of register allocation via graph coloring

NASA Astrophysics Data System (ADS)

Gao, Lei; Shi, Ce

2005-03-01

Register allocation is an important part of optimizing compiler. The algorithm of register allocation via graph coloring is implemented by Chaitin and his colleagues firstly and improved by Briggs and others. By abstracting register allocation to graph coloring, the allocation process is simplified. As the physical register number is limited, coloring of the interference graph can"t succeed for every node. The uncolored nodes must be spilled. There is an assumption that almost all the allocation method obeys: when a register is allocated to a variable v, it can"t be used by others before v quit even if v is not used for a long time. This may causes a waste of register resource. The authors relax this restriction under certain conditions and make some improvement. In this method, one register can be mapped to two or more interfered "living" live ranges at the same time if they satisfy some requirements. An operation named merge is defined which can arrange two interfered nodes occupy the same register with some cost. Thus, the resource of register can be used more effectively and the cost of memory access can be reduced greatly.

Gps-Denied Geo-Localisation Using Visual Odometry

NASA Astrophysics Data System (ADS)

Gupta, Ashish; Chang, Huan; Yilmaz, Alper

2016-06-01

The primary method for geo-localization is based on GPS which has issues of localization accuracy, power consumption, and unavailability. This paper proposes a novel approach to geo-localization in a GPS-denied environment for a mobile platform. Our approach has two principal components: public domain transport network data available in GIS databases or OpenStreetMap; and a trajectory of a mobile platform. This trajectory is estimated using visual odometry and 3D view geometry. The transport map information is abstracted as a graph data structure, where various types of roads are modelled as graph edges and typically intersections are modelled as graph nodes. A search for the trajectory in real time in the graph yields the geo-location of the mobile platform. Our approach uses a simple visual sensor and it has a low memory and computational footprint. In this paper, we demonstrate our method for trajectory estimation and provide examples of geolocalization using public-domain map data. With the rapid proliferation of visual sensors as part of automated driving technology and continuous growth in public domain map data, our approach has the potential to completely augment, or even supplant, GPS based navigation since it functions in all environments.

Writing a Scientific Paper II. Communication by Graphics

NASA Astrophysics Data System (ADS)

Sterken, C.

2011-07-01

This paper discusses facets of visual communication by way of images, graphs, diagrams and tabular material. Design types and elements of graphical images are presented, along with advice on how to create graphs, and on how to read graphical illustrations. This is done in astronomical context, using case studies and historical examples of good and bad graphics. Design types of graphs (scatter and vector plots, histograms, pie charts, ternary diagrams and three-dimensional surface graphs) are explicated, as well as the major components of graphical images (axes, legends, textual parts, etc.). The basic features of computer graphics (image resolution, vector images, bitmaps, graphical file formats and file conversions) are explained, as well as concepts of color models and of color spaces (with emphasis on aspects of readability of color graphics by viewers suffering from color-vision deficiencies). Special attention is given to the verity of graphical content, and to misrepresentations and errors in graphics and associated basic statistics. Dangers of dot joining and curve fitting are discussed, with emphasis on the perception of linearity, the issue of nonsense correlations, and the handling of outliers. Finally, the distinction between data, fits and models is illustrated.

Convergence of Mayer and Virial expansions and the Penrose tree-graph identity

NASA Astrophysics Data System (ADS)

Procacci, Aldo; Yuhjtman, Sergio A.

2017-01-01

We establish new lower bounds for the convergence radius of the Mayer series and the Virial series of a continuous particle system interacting via a stable and tempered pair potential. Our bounds considerably improve those given by Penrose (J Math Phys 4:1312, 1963) and Ruelle (Ann Phys 5:109-120, 1963) for the Mayer series and by Lebowitz and Penrose (J Math Phys 7:841-847, 1964) for the Virial series. To get our results, we exploit the tree-graph identity given by Penrose (Statistical mechanics: foundations and applications. Benjamin, New York, 1967) using a new partition scheme based on minimum spanning trees.

Melonic Phase Transition in Group Field Theory

NASA Astrophysics Data System (ADS)

Baratin, Aristide; Carrozza, Sylvain; Oriti, Daniele; Ryan, James; Smerlak, Matteo

2014-08-01

Group field theories have recently been shown to admit a 1/N expansion dominated by so-called `melonic graphs', dual to triangulated spheres. In this note, we deepen the analysis of this melonic sector. We obtain a combinatorial formula for the melonic amplitudes in terms of a graph polynomial related to a higher-dimensional generalization of the Kirchhoff tree-matrix theorem. Simple bounds on these amplitudes show the existence of a phase transition driven by melonic interaction processes. We restrict our study to the Boulatov-Ooguri models, which describe topological BF theories and are the basis for the construction of 4-dimensional models of quantum gravity.

Dynamic Programming and Graph Algorithms in Computer Vision*

PubMed Central

Felzenszwalb, Pedro F.; Zabih, Ramin

2013-01-01

Optimization is a powerful paradigm for expressing and solving problems in a wide range of areas, and has been successfully applied to many vision problems. Discrete optimization techniques are especially interesting, since by carefully exploiting problem structure they often provide non-trivial guarantees concerning solution quality. In this paper we briefly review dynamic programming and graph algorithms, and discuss representative examples of how these discrete optimization techniques have been applied to some classical vision problems. We focus on the low-level vision problem of stereo; the mid-level problem of interactive object segmentation; and the high-level problem of model-based recognition. PMID:20660950

Sub-Network Kernels for Measuring Similarity of Brain Connectivity Networks in Disease Diagnosis.

PubMed

Jie, Biao; Liu, Mingxia; Zhang, Daoqiang; Shen, Dinggang

2018-05-01

As a simple representation of interactions among distributed brain regions, brain networks have been widely applied to automated diagnosis of brain diseases, such as Alzheimer's disease (AD) and its early stage, i.e., mild cognitive impairment (MCI). In brain network analysis, a challenging task is how to measure the similarity between a pair of networks. Although many graph kernels (i.e., kernels defined on graphs) have been proposed for measuring the topological similarity of a pair of brain networks, most of them are defined using general graphs, thus ignoring the uniqueness of each node in brain networks. That is, each node in a brain network denotes a particular brain region, which is a specific characteristics of brain networks. Accordingly, in this paper, we construct a novel sub-network kernel for measuring the similarity between a pair of brain networks and then apply it to brain disease classification. Different from current graph kernels, our proposed sub-network kernel not only takes into account the inherent characteristic of brain networks, but also captures multi-level (from local to global) topological properties of nodes in brain networks, which are essential for defining the similarity measure of brain networks. To validate the efficacy of our method, we perform extensive experiments on subjects with baseline functional magnetic resonance imaging data obtained from the Alzheimer's disease neuroimaging initiative database. Experimental results demonstrate that the proposed method outperforms several state-of-the-art graph-based methods in MCI classification.

Nutrition labels in bar graph format deemed most useful for consumer purchase decisions using adaptive conjoint analysis.

PubMed

Geiger, C J; Wyse, B W; Parent, C R; Hansen, R G

1991-07-01

This study estimated the effects of changing multiple levels and combinations of nutrition information format, load, expression, and order on consumers' perceptions of label usefulness in purchase decisions using adaptive conjoint analysis. A shopping mall intercept survey, which was administered by a marketing research firm, assessed consumer preferences for 12 label alternatives produced on Campbell's soup cans to portray nutrition information realistically; 252 of 258 respondents completed the computer interactive interview. Consumers significantly preferred the bar graph format to the bar graph/nutrient density and traditional label formats. Consumers considered the bar graph/nutrient density format to be as useful as the traditional label format. There was a highly significant difference among the three levels of information load; the most information load was preferred regardless of nutrient importance. Consumers significantly preferred nutrition information stated in absolute numbers and percentages vs in absolute numbers only in traditional, or in percentages only expressions. There was a significant difference between consumer preferences for the two types of information order. The findings indicate that consumers clearly preferred the nutrition label that displayed all nutrient values using a bar graph format, offered the most information load, and expressed nutrient values using both absolute numbers and percentages. Consumers also preferred nutrition information rearranged in an order that grouped nutrients that should be consumed in adequate amounts on the top, calories in the middle, and nutrients that should be consumed in lesser amounts on the bottom of the label.

Reports on Cancer - Cancer Statistics

Cancer.gov

Interactive tools for access to statistics for a cancer site by gender, race, ethnicity, calendar year, age, state, county, stage, and histology. Statistics include incidence, mortality, prevalence, cost, risk factors, behaviors, tobacco use, and policies and are presented as graphs, tables, or maps.

Critical Literacy: Does Advertising Show Gender and Cultural Stereotyping?

ERIC Educational Resources Information Center

Russo, Elizabeth

1996-01-01

The critical literacy component of an adult program developed skills in analyzing media advertising; using math for data analysis, graphing, and computation; interpreting data; and becoming aware of advertising's part in reenforcing gender roles. (SK)

Extension of Alvis compiler front-end

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

Wypych, Michał; Szpyrka, Marcin; Matyasik, Piotr, E-mail: mwypych@agh.edu.pl, E-mail: mszpyrka@agh.edu.pl, E-mail: ptm@agh.edu.pl

2015-12-31

Alvis is a formal modelling language that enables possibility of verification of distributed concurrent systems. An Alvis model semantics finds expression in an LTS graph (labelled transition system). Execution of any language statement is expressed as a transition between formally defined states of such a model. An LTS graph is generated using a middle-stage Haskell representation of an Alvis model. Moreover, Haskell is used as a part of the Alvis language and is used to define parameters’ types and operations on them. Thanks to the compiler’s modular construction many aspects of compilation of an Alvis model may be modified. Providingmore » new plugins for Alvis Compiler that support languages like Java or C makes possible using these languages as a part of Alvis instead of Haskell. The paper presents the compiler internal model and describes how the default specification language can be altered by new plugins.« less

Subfactors of Index Less Than 5, Part 3: Quadruple Points

NASA Astrophysics Data System (ADS)

Izumi, Masaki; Jones, Vaughan F. R.; Morrison, Scott; Snyder, Noah

2012-12-01

One major obstacle in extending the classification of small index subfactors beyond {3 +sqrt{3}} is the appearance of infinite families of candidate principal graphs with 4-valent vertices (in particular, the "weeds" {{Q}} and {{Q}'} from Part 1 (Morrison and Snyder in Commun. Math. Phys., doi: 10.1007/s00220-012-1426-y, 2012). Thus instead of using triple point obstructions to eliminate candidate graphs, we need to develop new quadruple point obstructions. In this paper we prove two quadruple point obstructions. The first uses quadratic tangles techniques and eliminates the weed {{Q}'} immediately. The second uses connections, and when combined with an additional number theoretic argument it eliminates both weeds {{Q}} and {{Q}'} . Finally, we prove the uniqueness (up to taking duals) of the 3311 Goodman-de la Harpe-Jones subfactor using a combination of planar algebra techniques and connections.

Mechatronic modeling of a 750kW fixed-speed wind energy conversion system using the Bond Graph Approach.

PubMed

Khaouch, Zakaria; Zekraoui, Mustapha; Bengourram, Jamaa; Kouider, Nourreeddine; Mabrouki, Mustapha

2016-11-01

In this paper, we would like to focus on modeling main parts of the wind turbines (blades, gearbox, tower, generator and pitching system) from a mechatronics viewpoint using the Bond-Graph Approach (BGA). Then, these parts are combined together in order to simulate the complete system. Moreover, the real dynamic behavior of the wind turbine is taken into account and with the new model; final load simulation is more realistic offering benefits and reliable system performance. This model can be used to develop control algorithms to reduce fatigue loads and enhance power production. Different simulations are carried-out in order to validate the proposed wind turbine model, using real data provided in the open literature (blade profile and gearbox parameters for a 750 kW wind turbine). Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

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

Interaction of high-intensity laser radiation with metals.

NASA Technical Reports Server (NTRS)

Linlor, W. I.

1971-01-01

The interaction is characterized by the production of plasma, within which the primary absorption occurs. Absorption of laser radiation by a plasma may occur by several processes. The absorption process called 'inverse bremsstrahlung' is discussed. The interaction of a laser beam with the plasma produced from a thick metal target was studied. The results of the measurements of the ion kinetic energies are presented in a graph. In addition to measurements with thick targets, information was also obtained with a thin foil of gold.

Predicting overlapping protein complexes from weighted protein interaction graphs by gradually expanding dense neighborhoods.

PubMed

Dimitrakopoulos, Christos; Theofilatos, Konstantinos; Pegkas, Andreas; Likothanassis, Spiros; Mavroudi, Seferina

2016-07-01

Proteins are vital biological molecules driving many fundamental cellular processes. They rarely act alone, but form interacting groups called protein complexes. The study of protein complexes is a key goal in systems biology. Recently, large protein-protein interaction (PPI) datasets have been published and a plethora of computational methods that provide new ideas for the prediction of protein complexes have been implemented. However, most of the methods suffer from two major limitations: First, they do not account for proteins participating in multiple functions and second, they are unable to handle weighted PPI graphs. Moreover, the problem remains open as existing algorithms and tools are insufficient in terms of predictive metrics. In the present paper, we propose gradually expanding neighborhoods with adjustment (GENA), a new algorithm that gradually expands neighborhoods in a graph starting from highly informative "seed" nodes. GENA considers proteins as multifunctional molecules allowing them to participate in more than one protein complex. In addition, GENA accepts weighted PPI graphs by using a weighted evaluation function for each cluster. In experiments with datasets from Saccharomyces cerevisiae and human, GENA outperformed Markov clustering, restricted neighborhood search and clustering with overlapping neighborhood expansion, three state-of-the-art methods for computationally predicting protein complexes. Seven PPI networks and seven evaluation datasets were used in total. GENA outperformed existing methods in 16 out of 18 experiments achieving an average improvement of 5.5% when the maximum matching ratio metric was used. Our method was able to discover functionally homogeneous protein clusters and uncover important network modules in a Parkinson expression dataset. When used on the human networks, around 47% of the detected clusters were enriched in gene ontology (GO) terms with depth higher than five in the GO hierarchy. In the present manuscript, we introduce a new method for the computational prediction of protein complexes by making the realistic assumption that proteins participate in multiple protein complexes and cellular functions. Our method can detect accurate and functionally homogeneous clusters. Copyright © 2016 Elsevier B.V. All rights reserved.

Water Vapor Reaches Mars' Middle Atmosphere During Global Dust Storm

NASA Image and Video Library

2018-01-23

Rising air during a 2007 global dust storm on Mars lofted water vapor into the planet's middle atmosphere, researchers learned from data graphed here, derived from observations by the Mars Climate Sounder instrument on NASA's Mars Reconnaissance Orbiter. The two vertical black lines in the right half of the graph (at about 260 and 310 on the horizontal scale) mark the beginning and end of the most recent global dust storm on Mars, which burst from regional scale to globe-encircling scale in July 2007. The presence of more colored dots, particularly green ones, in the upper portion of the graph between those lines, compared to the upper portion of the graph outside those lines, documents the uplift of water vapor in connection with the global dust storm. The vertical scale is altitude, labeled at left in kilometers above the surface of Mars (50 kilometers is about 30 miles; 80 kilometers is about 50 miles). The color bar below the graph gives the key to how much water vapor each dot represents, in parts per million, by volume, in Mars' atmosphere. Note that green to yellow represents about 100 times as much water as purple does. The horizontal axis of the graph is time, from January 2006 to February 2008. It is labeled with numbers representing the 360 degrees of Mars' orbit around the Sun, from zero to 360 degrees and then further on to include the first 30 degrees of the following Martian year. (The zero point is autumnal equinox -- end of summer -- in Mars' northern hemisphere.) This graph, based on Mars Reconnaissance Orbiter observations, was used in a January 2018 paper in Nature Astronomy by Nicholas Heavens of Hampton University in Hampton, Virginia, and co-authors. The paper presents Martian dust storms' uplifting effect on water vapor as a factor in seasonal patterns that other spacecraft have detected in the rate of hydrogen escaping from the top of Mars' atmosphere. https://photojournal.jpl.nasa.gov/catalog/PIA22080

Faster Parameterized Algorithms for Minor Containment

NASA Astrophysics Data System (ADS)

Adler, Isolde; Dorn, Frederic; Fomin, Fedor V.; Sau, Ignasi; Thilikos, Dimitrios M.

The theory of Graph Minors by Robertson and Seymour is one of the deepest and significant theories in modern Combinatorics. This theory has also a strong impact on the recent development of Algorithms, and several areas, like Parameterized Complexity, have roots in Graph Minors. Until very recently it was a common belief that Graph Minors Theory is mainly of theoretical importance. However, it appears that many deep results from Robertson and Seymour's theory can be also used in the design of practical algorithms. Minor containment testing is one of algorithmically most important and technical parts of the theory, and minor containment in graphs of bounded branchwidth is a basic ingredient of this algorithm. In order to implement minor containment testing on graphs of bounded branchwidth, Hicks [NETWORKS 04] described an algorithm, that in time O(3^{k^2}\\cdot (h+k-1)!\\cdot m) decides if a graph G with m edges and branchwidth k, contains a fixed graph H on h vertices as a minor. That algorithm follows the ideas introduced by Robertson and Seymour in [J'CTSB 95]. In this work we improve the dependence on k of Hicks' result by showing that checking if H is a minor of G can be done in time O(2^{(2k +1 )\\cdot log k} \\cdot h^{2k} \\cdot 2^{2h^2} \\cdot m). Our approach is based on a combinatorial object called rooted packing, which captures the properties of the potential models of subgraphs of H that we seek in our dynamic programming algorithm. This formulation with rooted packings allows us to speed up the algorithm when G is embedded in a fixed surface, obtaining the first single-exponential algorithm for minor containment testing. Namely, it runs in time 2^{O(k)} \\cdot h^{2k} \\cdot 2^{O(h)} \\cdot n, with n = |V(G)|. Finally, we show that slight modifications of our algorithm permit to solve some related problems within the same time bounds, like induced minor or contraction minor containment.

Transforming graph states using single-qubit operations.

PubMed

Dahlberg, Axel; Wehner, Stephanie

2018-07-13

Stabilizer states form an important class of states in quantum information, and are of central importance in quantum error correction. Here, we provide an algorithm for deciding whether one stabilizer (target) state can be obtained from another stabilizer (source) state by single-qubit Clifford operations (LC), single-qubit Pauli measurements (LPM) and classical communication (CC) between sites holding the individual qubits. What is more, we provide a recipe to obtain the sequence of LC+LPM+CC operations which prepare the desired target state from the source state, and show how these operations can be applied in parallel to reach the target state in constant time. Our algorithm has applications in quantum networks, quantum computing, and can also serve as a design tool-for example, to find transformations between quantum error correcting codes. We provide a software implementation of our algorithm that makes this tool easier to apply. A key insight leading to our algorithm is to show that the problem is equivalent to one in graph theory, which is to decide whether some graph G ' is a vertex-minor of another graph G The vertex-minor problem is, in general, [Formula: see text]-Complete, but can be solved efficiently on graphs which are not too complex. A measure of the complexity of a graph is the rank-width which equals the Schmidt-rank width of a subclass of stabilizer states called graph states, and thus intuitively is a measure of entanglement. Here, we show that the vertex-minor problem can be solved in time O (| G | 3 ), where | G | is the size of the graph G , whenever the rank-width of G and the size of G ' are bounded. Our algorithm is based on techniques by Courcelle for solving fixed parameter tractable problems, where here the relevant fixed parameter is the rank width. The second half of this paper serves as an accessible but far from exhausting introduction to these concepts, that could be useful for many other problems in quantum information.This article is part of a discussion meeting issue 'Foundations of quantum mechanics and their impact on contemporary society'. © 2018 The Author(s).

Experimental and theoretical distribution of electron density and thermopolimerization in crystals of Ph3Sb(O2CCH=CH2)2 complex

NASA Astrophysics Data System (ADS)

Fukin, Georgy K.; Samsonov, Maxim A.; Arapova, Alla V.; Mazur, Anton S.; Artamonova, Tatiana O.; Khodorkovskiy, Mikhail A.; Vasilyev, Aleksander V.

2017-10-01

In this paper we present the results of a high-resolution single crystal X-ray diffraction experiment of a triphenylantimony diacrylate (Ph3Sb(O2CCH=CH2)2 (1)) and a subsequent charge density study based on a topological analysis according to quantum theory of atoms in molecules (QTAIM) together with density functional theory (DFT) calculation of isolated molecule. The QTAIM was used to investigate nature of the chemical bonds and molecular graph of Ph3Sb(O2CCH=CH2)2 complex. The molecular graph shows that only in one acrylate group there is an evidence of bonding between antimony and carbonyl oxygen atom in terms of the presence of a bond path. Thus the molecular graph for this class of compounds does not provide a definitive picture of the chemical bonding and should be complemented with other descriptors, such as and a source function (SF), noncovalent interaction (NCI) index and delocalization index (DI). Moreover the realization of π…π interactions between double bonds of acrylate groups in adjacent molecules allowed us to carry out a thermopolimerization reaction in crystals of Ph3Sb(O2CCH=CH2)2 complex and to determine a probable structure of polymer by solid state CP/MAS 13C NMR.

Software reliability studies

NASA Technical Reports Server (NTRS)

Hoppa, Mary Ann; Wilson, Larry W.

1994-01-01

There are many software reliability models which try to predict future performance of software based on data generated by the debugging process. Our research has shown that by improving the quality of the data one can greatly improve the predictions. We are working on methodologies which control some of the randomness inherent in the standard data generation processes in order to improve the accuracy of predictions. Our contribution is twofold in that we describe an experimental methodology using a data structure called the debugging graph and apply this methodology to assess the robustness of existing models. The debugging graph is used to analyze the effects of various fault recovery orders on the predictive accuracy of several well-known software reliability algorithms. We found that, along a particular debugging path in the graph, the predictive performance of different models can vary greatly. Similarly, just because a model 'fits' a given path's data well does not guarantee that the model would perform well on a different path. Further we observed bug interactions and noted their potential effects on the predictive process. We saw that not only do different faults fail at different rates, but that those rates can be affected by the particular debugging stage at which the rates are evaluated. Based on our experiment, we conjecture that the accuracy of a reliability prediction is affected by the fault recovery order as well as by fault interaction.

Exploiting graph kernels for high performance biomedical relation extraction.

PubMed

Panyam, Nagesh C; Verspoor, Karin; Cohn, Trevor; Ramamohanarao, Kotagiri

2018-01-30

Relation extraction from biomedical publications is an important task in the area of semantic mining of text. Kernel methods for supervised relation extraction are often preferred over manual feature engineering methods, when classifying highly ordered structures such as trees and graphs obtained from syntactic parsing of a sentence. Tree kernels such as the Subset Tree Kernel and Partial Tree Kernel have been shown to be effective for classifying constituency parse trees and basic dependency parse graphs of a sentence. Graph kernels such as the All Path Graph kernel (APG) and Approximate Subgraph Matching (ASM) kernel have been shown to be suitable for classifying general graphs with cycles, such as the enhanced dependency parse graph of a sentence. In this work, we present a high performance Chemical-Induced Disease (CID) relation extraction system. We present a comparative study of kernel methods for the CID task and also extend our study to the Protein-Protein Interaction (PPI) extraction task, an important biomedical relation extraction task. We discuss novel modifications to the ASM kernel to boost its performance and a method to apply graph kernels for extracting relations expressed in multiple sentences. Our system for CID relation extraction attains an F-score of 60%, without using external knowledge sources or task specific heuristic or rules. In comparison, the state of the art Chemical-Disease Relation Extraction system achieves an F-score of 56% using an ensemble of multiple machine learning methods, which is then boosted to 61% with a rule based system employing task specific post processing rules. For the CID task, graph kernels outperform tree kernels substantially, and the best performance is obtained with APG kernel that attains an F-score of 60%, followed by the ASM kernel at 57%. The performance difference between the ASM and APG kernels for CID sentence level relation extraction is not significant. In our evaluation of ASM for the PPI task, ASM performed better than APG kernel for the BioInfer dataset, in the Area Under Curve (AUC) measure (74% vs 69%). However, for all the other PPI datasets, namely AIMed, HPRD50, IEPA and LLL, ASM is substantially outperformed by the APG kernel in F-score and AUC measures. We demonstrate a high performance Chemical Induced Disease relation extraction, without employing external knowledge sources or task specific heuristics. Our work shows that graph kernels are effective in extracting relations that are expressed in multiple sentences. We also show that the graph kernels, namely the ASM and APG kernels, substantially outperform the tree kernels. Among the graph kernels, we showed the ASM kernel as effective for biomedical relation extraction, with comparable performance to the APG kernel for datasets such as the CID-sentence level relation extraction and BioInfer in PPI. Overall, the APG kernel is shown to be significantly more accurate than the ASM kernel, achieving better performance on most datasets.

High Performance Descriptive Semantic Analysis of Semantic Graph Databases

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

Joslyn, Cliff A.; Adolf, Robert D.; al-Saffar, Sinan

As semantic graph database technology grows to address components ranging from extant large triple stores to SPARQL endpoints over SQL-structured relational databases, it will become increasingly important to be able to understand their inherent semantic structure, whether codified in explicit ontologies or not. Our group is researching novel methods for what we call descriptive semantic analysis of RDF triplestores, to serve purposes of analysis, interpretation, visualization, and optimization. But data size and computational complexity makes it increasingly necessary to bring high performance computational resources to bear on this task. Our research group built a novel high performance hybrid system comprisingmore » computational capability for semantic graph database processing utilizing the large multi-threaded architecture of the Cray XMT platform, conventional servers, and large data stores. In this paper we describe that architecture and our methods, and present the results of our analyses of basic properties, connected components, namespace interaction, and typed paths such for the Billion Triple Challenge 2010 dataset.« less

A graph grammar approach to artificial life.

PubMed

Kniemeyer, Ole; Buck-Sorlin, Gerhard H; Kurth, Winfried

2004-01-01

We present the high-level language of relational growth grammars (RGGs) as a formalism designed for the specification of ALife models. RGGs can be seen as an extension of the well-known parametric Lindenmayer systems and contain rule-based, procedural, and object-oriented features. They are defined as rewriting systems operating on graphs with the edges coming from a set of user-defined relations, whereas the nodes can be associated with objects. We demonstrate their ability to represent genes, regulatory networks of metabolites, and morphologically structured organisms, as well as developmental aspects of these entities, in a common formal framework. Mutation, crossing over, selection, and the dynamics of a network of gene regulation can all be represented with simple graph rewriting rules. This is demonstrated in some detail on the classical example of Dawkins' biomorphs and the ABC model of flower morphogenesis: other applications are briefly sketched. An interactive program was implemented, enabling the execution of the formalism and the visualization of the results.

The Changing Climate.

ERIC Educational Resources Information Center

Schneider, Stephen H.

1989-01-01

Discusses the global change of climate. Presents the trend of climate change with graphs. Describes mathematical climate models including expressions for the interacting components of the ocean-atmosphere system and equations representing the basic physical laws governing their behavior. Provides three possible responses on the change. (YP)

Interactions of information transfer along separable causal paths

NASA Astrophysics Data System (ADS)

Jiang, Peishi; Kumar, Praveen

2018-04-01

Complex systems arise as a result of interdependences between multiple variables, whose causal interactions can be visualized in a time-series graph. Transfer entropy and information partitioning approaches have been used to characterize such dependences. However, these approaches capture net information transfer occurring through a multitude of pathways involved in the interaction and as a result mask our ability to discern the causal interaction within a subgraph of interest through specific pathways. We build on recent developments of momentary information transfer along causal paths proposed by Runge [Phys. Rev. E 92, 062829 (2015), 10.1103/PhysRevE.92.062829] to develop a framework for quantifying information partitioning along separable causal paths. Momentary information transfer along causal paths captures the amount of information transfer between any two variables lagged at two specific points in time. Our approach expands this concept to characterize the causal interaction in terms of synergistic, unique, and redundant information transfer through separable causal paths. Through a graphical model, we analyze the impact of the separable and nonseparable causal paths and the causality structure embedded in the graph as well as the noise effect on information partitioning by using synthetic data generated from two coupled logistic equation models. Our approach can provide a valuable reference for an autonomous information partitioning along separable causal paths which form a causal subgraph influencing a target.

Interactive approach to segment organs at risk in radiotherapy treatment planning

NASA Astrophysics Data System (ADS)

Dolz, Jose; Kirisli, Hortense A.; Viard, Romain; Massoptier, Laurent

2014-03-01

Accurate delineation of organs at risk (OAR) is required for radiation treatment planning (RTP). However, it is a very time consuming and tedious task. The use in clinic of image guided radiation therapy (IGRT) becomes more and more popular, thus increasing the need of (semi-)automatic methods for delineation of the OAR. In this work, an interactive segmentation approach to delineate OAR is proposed and validated. The method is based on the combination of watershed transformation, which groups small areas of similar intensities in homogeneous labels, and graph cuts approach, which uses these labels to create the graph. Segmentation information can be added in any view - axial, sagittal or coronal -, making the interaction with the algorithm easy and fast. Subsequently, this information is propagated within the whole volume, providing a spatially coherent result. Manual delineations made by experts of 6 OAR - lungs, kidneys, liver, spleen, heart and aorta - over a set of 9 computed tomography (CT) scans were used as reference standard to validate the proposed approach. With a maximum of 4 interactions, a Dice similarity coefficient (DSC) higher than 0.87 was obtained, which demonstrates that, with the proposed segmentation approach, only few interactions are required to achieve similar results as the ones obtained manually. The integration of this method in the RTP process may save a considerable amount of time, and reduce the annotation complexity.

Graph-theoretic quantum system modelling for neuronal microtubules as hierarchical clustered quantum Hopfield networks

NASA Astrophysics Data System (ADS)

Srivastava, D. P.; Sahni, V.; Satsangi, P. S.

2014-08-01

Graph-theoretic quantum system modelling (GTQSM) is facilitated by considering the fundamental unit of quantum computation and information, viz. a quantum bit or qubit as a basic building block. Unit directional vectors "ket 0" and "ket 1" constitute two distinct fundamental quantum across variable orthonormal basis vectors, for the Hilbert space, specifying the direction of propagation of information, or computation data, while complementary fundamental quantum through, or flow rate, variables specify probability parameters, or amplitudes, as surrogates for scalar quantum information measure (von Neumann entropy). This paper applies GTQSM in continuum of protein heterodimer tubulin molecules of self-assembling polymers, viz. microtubules in the brain as a holistic system of interacting components representing hierarchical clustered quantum Hopfield network, hQHN, of networks. The quantum input/output ports of the constituent elemental interaction components, or processes, of tunnelling interactions and Coulombic bidirectional interactions are in cascade and parallel interconnections with each other, while the classical output ports of all elemental components are interconnected in parallel to accumulate micro-energy functions generated in the system as Hamiltonian, or Lyapunov, energy function. The paper presents an insight, otherwise difficult to gain, for the complex system of systems represented by clustered quantum Hopfield network, hQHN, through the application of GTQSM construct.

A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers

NASA Astrophysics Data System (ADS)

Vignola, Emanuele; Steinmann, Stephan N.; Vandegehuchte, Bart D.; Curulla, Daniel; Stamatakis, Michail; Sautet, Philippe

2017-08-01

The accurate description of the energy of adsorbate layers is crucial for the understanding of chemistry at interfaces. For heterogeneous catalysis, not only the interaction of the adsorbate with the surface but also the adsorbate-adsorbate lateral interactions significantly affect the activation energies of reactions. Modeling the interactions of the adsorbates with the catalyst surface and with each other can be efficiently achieved in the cluster expansion Hamiltonian formalism, which has recently been implemented in a graph-theoretical kinetic Monte Carlo (kMC) scheme to describe multi-dentate species. Automating the development of the cluster expansion Hamiltonians for catalytic systems is challenging and requires the mapping of adsorbate configurations for extended adsorbates onto a graphical lattice. The current work adopts machine learning methods to reach this goal. Clusters are automatically detected based on formalized, but intuitive chemical concepts. The corresponding energy coefficients for the cluster expansion are calculated by an inversion scheme. The potential of this method is demonstrated for the example of ethylene adsorption on Pd(111), for which we propose several expansions, depending on the graphical lattice. It turns out that for this system, the best description is obtained as a combination of single molecule patterns and a few coupling terms accounting for lateral interactions.

A shortest-path graph kernel for estimating gene product semantic similarity.

PubMed

Alvarez, Marco A; Qi, Xiaojun; Yan, Changhui

2011-07-29

Existing methods for calculating semantic similarity between gene products using the Gene Ontology (GO) often rely on external resources, which are not part of the ontology. Consequently, changes in these external resources like biased term distribution caused by shifting of hot research topics, will affect the calculation of semantic similarity. One way to avoid this problem is to use semantic methods that are "intrinsic" to the ontology, i.e. independent of external knowledge. We present a shortest-path graph kernel (spgk) method that relies exclusively on the GO and its structure. In spgk, a gene product is represented by an induced subgraph of the GO, which consists of all the GO terms annotating it. Then a shortest-path graph kernel is used to compute the similarity between two graphs. In a comprehensive evaluation using a benchmark dataset, spgk compares favorably with other methods that depend on external resources. Compared with simUI, a method that is also intrinsic to GO, spgk achieves slightly better results on the benchmark dataset. Statistical tests show that the improvement is significant when the resolution and EC similarity correlation coefficient are used to measure the performance, but is insignificant when the Pfam similarity correlation coefficient is used. Spgk uses a graph kernel method in polynomial time to exploit the structure of the GO to calculate semantic similarity between gene products. It provides an alternative to both methods that use external resources and "intrinsic" methods with comparable performance.

A simple proof of orientability in colored group field theory.

PubMed

Caravelli, Francesco

2012-01-01

Group field theory is an emerging field at the boundary between Quantum Gravity, Statistical Mechanics and Quantum Field Theory and provides a path integral for the gluing of n-simplices. Colored group field theory has been introduced in order to improve the renormalizability of the theory and associates colors to the faces of the simplices. The theory of crystallizations is instead a field at the boundary between graph theory and combinatorial topology and deals with n-simplices as colored graphs. Several techniques have been introduced in order to study the topology of the pseudo-manifold associated to the colored graph. Although of the similarity between colored group field theory and the theory of crystallizations, the connection between the two fields has never been made explicit. In this short note we use results from the theory of crystallizations to prove that color in group field theories guarantees orientability of the piecewise linear pseudo-manifolds associated to each graph generated perturbatively. Colored group field theories generate orientable pseudo-manifolds. The origin of orientability is the presence of two interaction vertices in the action of colored group field theories. In order to obtain the result, we made the connection between the theory of crystallizations and colored group field theory.

Graph theory network function in Parkinson's disease assessed with electroencephalography.

PubMed

Utianski, Rene L; Caviness, John N; van Straaten, Elisabeth C W; Beach, Thomas G; Dugger, Brittany N; Shill, Holly A; Driver-Dunckley, Erika D; Sabbagh, Marwan N; Mehta, Shyamal; Adler, Charles H; Hentz, Joseph G

2016-05-01

To determine what differences exist in graph theory network measures derived from electroencephalography (EEG), between Parkinson's disease (PD) patients who are cognitively normal (PD-CN) and matched healthy controls; and between PD-CN and PD dementia (PD-D). EEG recordings were analyzed via graph theory network analysis to quantify changes in global efficiency and local integration. This included minimal spanning tree analysis. T-tests and correlations were used to assess differences between groups and assess the relationship with cognitive performance. Network measures showed increased local integration across all frequency bands between control and PD-CN; in contrast, decreased local integration occurred in PD-D when compared to PD-CN in the alpha1 frequency band. Differences found in PD-MCI mirrored PD-D. Correlations were found between network measures and assessments of global cognitive performance in PD. Our results reveal distinct patterns of band and network measure type alteration and breakdown for PD, as well as with cognitive decline in PD. These patterns suggest specific ways that interaction between cortical areas becomes abnormal and contributes to PD symptoms at various stages. Graph theory analysis by EEG suggests that network alteration and breakdown are robust attributes of PD cortical dysfunction pathophysiology. Copyright © 2016 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

Identification of structural domains in proteins by a graph heuristic.

PubMed

Wernisch, L; Hunting, M; Wodak, S J

1999-05-15

A novel automatic procedure for identifying domains from protein atomic coordinates is presented. The procedure, termed STRUDL (STRUctural Domain Limits), does not take into account information on secondary structures and handles any number of domains made up of contiguous or non-contiguous chain segments. The core algorithm uses the Kernighan-Lin graph heuristic to partition the protein into residue sets which display minimum interactions between them. These interactions are deduced from the weighted Voronoi diagram. The generated partitions are accepted or rejected on the basis of optimized criteria, representing basic expected physical properties of structural domains. The graph heuristic approach is shown to be very effective, it approximates closely the exact solution provided by a branch and bound algorithm for a number of test proteins. In addition, the overall performance of STRUDL is assessed on a set of 787 representative proteins from the Protein Data Bank by comparison to domain definitions in the CATH protein classification. The domains assigned by STRUDL agree with the CATH assignments in at least 81% of the tested proteins. This result is comparable to that obtained previously using PUU (Holm and Sander, Proteins 1994;9:256-268), the only other available algorithm designed to identify domains with any number of non-contiguous chain segments. A detailed discussion of the structures for which our assignments differ from those in CATH brings to light some clear inconsistencies between the concept of structural domains based on minimizing inter-domain interactions and that of delimiting structural motifs that represent acceptable folding topologies or architectures. Considering both concepts as complementary and combining them in a layered approach might be the way forward.

Using graph theory to quantify coarse sediment connectivity in alpine geosystems

NASA Astrophysics Data System (ADS)

Heckmann, Tobias; Thiel, Markus; Schwanghart, Wolfgang; Haas, Florian; Becht, Michael

2010-05-01

Networks are a common object of study in various disciplines. Among others, informatics, sociology, transportation science, economics and ecology frequently deal with objects which are linked with other objects to form a network. Despite this wide thematic range, a coherent formal basis to represent, measure and model the relational structure of models exists. The mathematical model for networks of all kinds is a graph which can be analysed using the tools of mathematical graph theory. In a graph model of a generic system, system components are represented by graph nodes, and the linkages between them are formed by graph edges. The latter may represent all kinds of linkages, from matter or energy fluxes to functional relations. To some extent, graph theory has been used in geosciences and related disciplines; in hydrology and fluvial geomorphology, for example, river networks have been modeled and analysed as graphs. An important issue in hydrology is the hydrological connectivity which determines if runoff generated on some area reaches the channel network. In ecology, a number of graph-theoretical indices is applicable to describing the influence of habitat distribution and landscape fragmentation on population structure and species mobility. In these examples, the mobility of matter (water, sediment, animals) through a system is an important consequence of system structure, i.e. the location and topology of its components as well as of properties of linkages between them. In geomorphology, sediment connectivity relates to the potential of sediment particles to move through the catchment. As a system property, connectivity depends, for example, on the degree to which hillslopes within a catchment are coupled to the channel system (lateral coupling), and to which channel reaches are coupled to each other (longitudinal coupling). In the present study, numerical GIS-based models are used to investigate the coupling of geomorphic process units by delineating the process domains of important geomorphic processes in a high-mountain environment (rockfall, slope-type debris flows, slope aquatic and fluvial processes). The results are validated by field mapping; they show that only small parts of a catchment are actually coupled to its outlet with respect to coarse (bedload) sediment. The models not only generate maps of the spatial extent and geomorphic activity of the aforementioned processes, they also output so-called edge lists that can be converted to adjacency matrices and graphs. Graph theory is then employed to explore ‘local' (i.e. referring to single nodes or edges) and ‘global' (i.e. system-wide, referring to the whole graph) measures that can be used to quantify coarse sediment connectivity. Such a quantification will complement the mainly qualitative appraisal of coupling and connectivity; the effect of connectivity on catchment properties such as specific sediment yield and catchment sensitivity will then be studied on the basis of quantitative measures.

Representations of mechanical assembly sequences

NASA Technical Reports Server (NTRS)

Homem De Mello, Luiz S.; Sanderson, Arthur C.

1991-01-01

Five types of representations for assembly sequences are reviewed: the directed graph of feasible assembly sequences, the AND/OR graph of feasible assembly sequences, the set of establishment conditions, and two types of sets of precedence relationships. (precedence relationships between the establishment of one connection between parts and the establishment of another connection, and precedence relationships between the establishment of one connection and states of the assembly process). The mappings of one representation into the others are established. The correctness and completeness of these representations are established. The results presented are needed in the proof of correctness and completeness of algorithms for the generation of mechanical assembly sequences.

Deep graphs—A general framework to represent and analyze heterogeneous complex systems across scales

NASA Astrophysics Data System (ADS)

Traxl, Dominik; Boers, Niklas; Kurths, Jürgen

2016-06-01

Network theory has proven to be a powerful tool in describing and analyzing systems by modelling the relations between their constituent objects. Particularly in recent years, a great progress has been made by augmenting "traditional" network theory in order to account for the multiplex nature of many networks, multiple types of connections between objects, the time-evolution of networks, networks of networks and other intricacies. However, existing network representations still lack crucial features in order to serve as a general data analysis tool. These include, most importantly, an explicit association of information with possibly heterogeneous types of objects and relations, and a conclusive representation of the properties of groups of nodes as well as the interactions between such groups on different scales. In this paper, we introduce a collection of definitions resulting in a framework that, on the one hand, entails and unifies existing network representations (e.g., network of networks and multilayer networks), and on the other hand, generalizes and extends them by incorporating the above features. To implement these features, we first specify the nodes and edges of a finite graph as sets of properties (which are permitted to be arbitrary mathematical objects). Second, the mathematical concept of partition lattices is transferred to the network theory in order to demonstrate how partitioning the node and edge set of a graph into supernodes and superedges allows us to aggregate, compute, and allocate information on and between arbitrary groups of nodes. The derived partition lattice of a graph, which we denote by deep graph, constitutes a concise, yet comprehensive representation that enables the expression and analysis of heterogeneous properties, relations, and interactions on all scales of a complex system in a self-contained manner. Furthermore, to be able to utilize existing network-based methods and models, we derive different representations of multilayer networks from our framework and demonstrate the advantages of our representation. On the basis of the formal framework described here, we provide a rich, fully scalable (and self-explanatory) software package that integrates into the PyData ecosystem and offers interfaces to popular network packages, making it a powerful, general-purpose data analysis toolkit. We exemplify an application of deep graphs using a real world dataset, comprising 16 years of satellite-derived global precipitation measurements. We deduce a deep graph representation of these measurements in order to track and investigate local formations of spatio-temporal clusters of extreme precipitation events.

Mathematics Through Science, Part II: Graphing, Equations and Linear Functions. Student Text. Revised Edition.

ERIC Educational Resources Information Center

Bolduc, Elroy J., Jr.; And Others

The purpose of this text is to teach learning and understanding of mathematics at grades seven through nine through the use of science experiments. Previous knowledge of science on the part of students or teachers is not necessary. The text is designed to be usable with any mathematics textbook in common use. The material can be covered in four…

Inventing Graphing: Meta-Representational Expertise in Children.

ERIC Educational Resources Information Center

DiSessa, Andra A.; And Others

1991-01-01

A cooperative activity involving eight sixth grade students over five days focused on inventing static representations of motion. In generating, critiquing and refining numerous representations, strong metarepresentational competence was found. An intricate blend of the children's conceptual and interactional skills, their interest in and sense of…

Evolutionary games on graphs

NASA Astrophysics Data System (ADS)

Szabó, György; Fáth, Gábor

2007-07-01

Game theory is one of the key paradigms behind many scientific disciplines from biology to behavioral sciences to economics. In its evolutionary form and especially when the interacting agents are linked in a specific social network the underlying solution concepts and methods are very similar to those applied in non-equilibrium statistical physics. This review gives a tutorial-type overview of the field for physicists. The first four sections introduce the necessary background in classical and evolutionary game theory from the basic definitions to the most important results. The fifth section surveys the topological complications implied by non-mean-field-type social network structures in general. The next three sections discuss in detail the dynamic behavior of three prominent classes of models: the Prisoner's Dilemma, the Rock-Scissors-Paper game, and Competing Associations. The major theme of the review is in what sense and how the graph structure of interactions can modify and enrich the picture of long term behavioral patterns emerging in evolutionary games.

Brain Modulyzer: Interactive Visual Analysis of Functional Brain Connectivity

DOE PAGES

Murugesan, Sugeerth; Bouchard, Kristopher; Brown, Jesse A.; ...

2016-05-09

Here, we present Brain Modulyzer, an interactive visual exploration tool for functional magnetic resonance imaging (fMRI) brain scans, aimed at analyzing the correlation between different brain regions when resting or when performing mental tasks. Brain Modulyzer combines multiple coordinated views—such as heat maps, node link diagrams, and anatomical views—using brushing and linking to provide an anatomical context for brain connectivity data. Integrating methods from graph theory and analysis, e.g., community detection and derived graph measures, makes it possible to explore the modular and hierarchical organization of functional brain networks. Providing immediate feedback by displaying analysis results instantaneously while changing parametersmore » gives neuroscientists a powerful means to comprehend complex brain structure more effectively and efficiently and supports forming hypotheses that can then be validated via statistical analysis. In order to demonstrate the utility of our tool, we also present two case studies—exploring progressive supranuclear palsy, as well as memory encoding and retrieval« less

Classification of ligand molecules in PDB with fast heuristic graph match algorithm COMPLIG.

PubMed

Saito, Mihoko; Takemura, Naomi; Shirai, Tsuyoshi

2012-12-14

A fast heuristic graph-matching algorithm, COMPLIG, was devised to classify the small-molecule ligands in the Protein Data Bank (PDB), which are currently not properly classified on structure basis. By concurrently classifying proteins and ligands, we determined the most appropriate parameter for categorizing ligands to be more than 60% identity of atoms and bonds between molecules, and we classified 11,585 types of ligands into 1946 clusters. Although the large clusters were composed of nucleotides or amino acids, a significant presence of drug compounds was also observed. Application of the system to classify the natural ligand status of human proteins in the current database suggested that, at most, 37% of the experimental structures of human proteins were in complex with natural ligands. However, protein homology- and/or ligand similarity-based modeling was implied to provide models of natural interactions for an additional 28% of the total, which might be used to increase the knowledge of intrinsic protein-metabolite interactions. Copyright © 2012 Elsevier Ltd. All rights reserved.

A model for the emergence of cooperation, interdependence, and structure in evolving networks.

PubMed

Jain, S; Krishna, S

2001-01-16

Evolution produces complex and structured networks of interacting components in chemical, biological, and social systems. We describe a simple mathematical model for the evolution of an idealized chemical system to study how a network of cooperative molecular species arises and evolves to become more complex and structured. The network is modeled by a directed weighted graph whose positive and negative links represent "catalytic" and "inhibitory" interactions among the molecular species, and which evolves as the least populated species (typically those that go extinct) are replaced by new ones. A small autocatalytic set, appearing by chance, provides the seed for the spontaneous growth of connectivity and cooperation in the graph. A highly structured chemical organization arises inevitably as the autocatalytic set enlarges and percolates through the network in a short analytically determined timescale. This self organization does not require the presence of self-replicating species. The network also exhibits catastrophes over long timescales triggered by the chance elimination of "keystone" species, followed by recoveries.

Brain Modulyzer: Interactive Visual Analysis of Functional Brain Connectivity

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

Murugesan, Sugeerth; Bouchard, Kristopher; Brown, Jesse A.

Here, we present Brain Modulyzer, an interactive visual exploration tool for functional magnetic resonance imaging (fMRI) brain scans, aimed at analyzing the correlation between different brain regions when resting or when performing mental tasks. Brain Modulyzer combines multiple coordinated views—such as heat maps, node link diagrams, and anatomical views—using brushing and linking to provide an anatomical context for brain connectivity data. Integrating methods from graph theory and analysis, e.g., community detection and derived graph measures, makes it possible to explore the modular and hierarchical organization of functional brain networks. Providing immediate feedback by displaying analysis results instantaneously while changing parametersmore » gives neuroscientists a powerful means to comprehend complex brain structure more effectively and efficiently and supports forming hypotheses that can then be validated via statistical analysis. In order to demonstrate the utility of our tool, we also present two case studies—exploring progressive supranuclear palsy, as well as memory encoding and retrieval« less

A model for the emergence of cooperation, interdependence, and structure in evolving networks

NASA Astrophysics Data System (ADS)

Jain, Sanjay; Krishna, Sandeep

2001-01-01

Evolution produces complex and structured networks of interacting components in chemical, biological, and social systems. We describe a simple mathematical model for the evolution of an idealized chemical system to study how a network of cooperative molecular species arises and evolves to become more complex and structured. The network is modeled by a directed weighted graph whose positive and negative links represent "catalytic" and "inhibitory" interactions among the molecular species, and which evolves as the least populated species (typically those that go extinct) are replaced by new ones. A small autocatalytic set, appearing by chance, provides the seed for the spontaneous growth of connectivity and cooperation in the graph. A highly structured chemical organization arises inevitably as the autocatalytic set enlarges and percolates through the network in a short analytically determined timescale. This self organization does not require the presence of self-replicating species. The network also exhibits catastrophes over long timescales triggered by the chance elimination of "keystone" species, followed by recoveries.

[Some comments on ecological field].

PubMed

Wang, D

2000-06-01

Based on the data of plant ecological field studies, this paper reviewed the conception of ecological field, field eigenfunctions, graphs of ecological field and its application of ecological field theory in explaining plant interactions. It is suggested that the basic character of ecological field is material, and based on the current research level, it is not sure whether ecological field is a kind of specific field different from general physical field. The author gave some comments on the formula and estimation of parameters of basic field function-ecological potential model on ecological field. Both models have their own characteristics and advantages in specific conditions. The author emphasized that ecological field had even more meaning of ecological methodology, and applying ecological field theory in describing the types and processes of plant interactions had three characteristics: quantitative, synthetic and intuitionistic. Field graphing might provide a new way to ecological studies, especially applying the ecological field theory might give an appropriate quantitative explanation for the dynamic process of plant populations (coexistence and interference competition).

Teaching of Chemical Literature: A List of Audiovisual Materials. Part 2.

ERIC Educational Resources Information Center

Douville, Judith A.

1983-01-01

Provides an annotated list of 36 items for teaching the use of the chemical literature including price, address of suppliers, description and/or published evaluations whenever available. Materials include slides, audiocassettes, films, filmstrips, graphs, photographs, and videocassettes. (JM)

A new approach in the design of an interactive environment for teaching Hamiltonian digraphs

NASA Astrophysics Data System (ADS)

Iordan, A. E.; Panoiu, M.

2014-03-01

In this article the authors present the necessary steps in object orientated design of an interactive environment that is dedicated to the process of acquaintances assimilation in Hamiltonian graphs theory domain, especially for the simulation of algorithms which determine the Hamiltonian trails and circuits. The modelling of the interactive environment is achieved through specific UML diagrams representing the steps of analysis, design and implementation. This interactive environment is very useful for both students and professors, because computer programming domain, especially digraphs theory domain is comprehended and assimilated with difficulty by students.

Combinatorial compatibility as habit-controlling factor in lysozyme crystallization I. Monomeric and tetrameric F faces derived graph-theoretically

NASA Astrophysics Data System (ADS)

Strom, C. S.; Bennema, P.

1997-03-01

A series of two articles discusses possible morphological evidence for oligomerization of growth units in the crystallization of tetragonal lysozyme, based on a rigorous graph-theoretic derivation of the F faces. In the first study (Part I), the growth layers are derived as valid networks satisfying the conditions of F slices in the context of the PBC theory using the graph-theoretic method implemented in program FFACE [C.S. Strom, Z. Krist. 172 (1985) 11]. The analysis is performed in monomeric and alternative tetrameric and octameric formulations of the unit cell, assuming tetramer formation according to the strongest bonds. F (flat) slices with thickness Rdhkl ( {1}/{2} < R ≤ 1 ) are predicted theoretically in the forms 1 1 0, 0 1 1, 1 1 1. The relevant energies are established in the broken bond model. The relation between possible oligomeric specifications of the unit cell and combinatorially feasible F slice compositions in these orientations is explored.

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.

Ring system-based chemical graph generation for de novo molecular design

NASA Astrophysics Data System (ADS)

Miyao, Tomoyuki; Kaneko, Hiromasa; Funatsu, Kimito

2016-05-01

Generating chemical graphs in silico by combining building blocks is important and fundamental in virtual combinatorial chemistry. A premise in this area is that generated structures should be irredundant as well as exhaustive. In this study, we develop structure generation algorithms regarding combining ring systems as well as atom fragments. The proposed algorithms consist of three parts. First, chemical structures are generated through a canonical construction path. During structure generation, ring systems can be treated as reduced graphs having fewer vertices than those in the original ones. Second, diversified structures are generated by a simple rule-based generation algorithm. Third, the number of structures to be generated can be estimated with adequate accuracy without actual exhaustive generation. The proposed algorithms were implemented in structure generator Molgilla. As a practical application, Molgilla generated chemical structures mimicking rosiglitazone in terms of a two dimensional pharmacophore pattern. The strength of the algorithms lies in simplicity and flexibility. Therefore, they may be applied to various computer programs regarding structure generation by combining building blocks.

Topology of molecular interaction networks.

PubMed

Winterbach, Wynand; Van Mieghem, Piet; Reinders, Marcel; Wang, Huijuan; de Ridder, Dick

2013-09-16

Molecular interactions are often represented as network models which have become the common language of many areas of biology. Graphs serve as convenient mathematical representations of network models and have themselves become objects of study. Their topology has been intensively researched over the last decade after evidence was found that they share underlying design principles with many other types of networks.Initial studies suggested that molecular interaction network topology is related to biological function and evolution. However, further whole-network analyses did not lead to a unified view on what this relation may look like, with conclusions highly dependent on the type of molecular interactions considered and the metrics used to study them. It is unclear whether global network topology drives function, as suggested by some researchers, or whether it is simply a byproduct of evolution or even an artefact of representing complex molecular interaction networks as graphs.Nevertheless, network biology has progressed significantly over the last years. We review the literature, focusing on two major developments. First, realizing that molecular interaction networks can be naturally decomposed into subsystems (such as modules and pathways), topology is increasingly studied locally rather than globally. Second, there is a move from a descriptive approach to a predictive one: rather than correlating biological network topology to generic properties such as robustness, it is used to predict specific functions or phenotypes.Taken together, this change in focus from globally descriptive to locally predictive points to new avenues of research. In particular, multi-scale approaches are developments promising to drive the study of molecular interaction networks further.

Topology of molecular interaction networks

PubMed Central

2013-01-01

Molecular interactions are often represented as network models which have become the common language of many areas of biology. Graphs serve as convenient mathematical representations of network models and have themselves become objects of study. Their topology has been intensively researched over the last decade after evidence was found that they share underlying design principles with many other types of networks. Initial studies suggested that molecular interaction network topology is related to biological function and evolution. However, further whole-network analyses did not lead to a unified view on what this relation may look like, with conclusions highly dependent on the type of molecular interactions considered and the metrics used to study them. It is unclear whether global network topology drives function, as suggested by some researchers, or whether it is simply a byproduct of evolution or even an artefact of representing complex molecular interaction networks as graphs. Nevertheless, network biology has progressed significantly over the last years. We review the literature, focusing on two major developments. First, realizing that molecular interaction networks can be naturally decomposed into subsystems (such as modules and pathways), topology is increasingly studied locally rather than globally. Second, there is a move from a descriptive approach to a predictive one: rather than correlating biological network topology to generic properties such as robustness, it is used to predict specific functions or phenotypes. Taken together, this change in focus from globally descriptive to locally predictive points to new avenues of research. In particular, multi-scale approaches are developments promising to drive the study of molecular interaction networks further. PMID:24041013

Solid-state supramolecular architectures formed by co-crystallization of melamine and 2-, 3- and 4-fluorophenylacetic acids

NASA Astrophysics Data System (ADS)

Perpétuo, Genivaldo Julio; Janczak, Jan

2018-01-01

A family of supramolecular complexes of melamine with fluorophenylacetic acid isomers using solvent-assisted and evaporation-based techniques has been prepared. Crystallization of melamine with 2-fluorophenylacetic acid yield hydrated ionic supramolecular complex (1), whereas crystallization of melamine with 3- and 4-fluorophenylacetic acids leads to formation of neutral supramolecular complexes (2, 3), all with base to acid ratio of 1:2. The supramolecular assembly is driven by the noncovalent interactions, most commonly by the hydrogen bonds. The components of the crystal 1 interact via Nsbnd H⋯O and Osbnd H⋯N hydrogen bonds with R22(8) and R32(10) graphs forming ionic supramolecular complex, whereas the components in the crystals 2 and 3 interact with a graph of R22(8) forming neutral supramolecular complexes. The singly protonated melamin-1-ium residues in 1 interact each other via a pair of Nsbnd H⋯N hydrogen bonds forming one dimensional chains along [-110] that interact via Nsbnd H⋯O with deprotonated and neutral 2-fluorophenylacetic acid units and water molecules forming ribbon. In 2 and 3 co-crystals the melamine interacts with 3- and 4-fluorophenylacetic acids via a pair of Nsbnd H⋯O hydrogen bonds forming pseudo one-dimensional supramolecular chains along [010] direction. Hirshfeld surface and analysis of 2D fingerprint plots have been analysed both quantitatively and qualitatively interactions that governing the supramolecular organisation. The IR and Raman vibrational characterization of the supramolecular complexes 1-3 was supported by the spectra of their deuterated analogues.

Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015.

PubMed

Slynko, Inna; Da Silva, Franck; Bret, Guillaume; Rognan, Didier

2016-09-01

High affinity ligands for a given target tend to share key molecular interactions with important anchoring amino acids and therefore often present quite conserved interaction patterns. This simple concept was formalized in a topological knowledge-based scoring function (GRIM) for selecting the most appropriate docking poses from previously X-rayed interaction patterns. GRIM first converts protein-ligand atomic coordinates (docking poses) into a simple 3D graph describing the corresponding interaction pattern. In a second step, proposed graphs are compared to that found from template structures in the Protein Data Bank. Last, all docking poses are rescored according to an empirical score (GRIMscore) accounting for overlap of maximum common subgraphs. Taking the opportunity of the public D3R Grand Challenge 2015, GRIM was used to rescore docking poses for 36 ligands (6 HSP90α inhibitors, 30 MAP4K4 inhibitors) prior to the release of the corresponding protein-ligand X-ray structures. When applied to the HSP90α dataset, for which many protein-ligand X-ray structures are already available, GRIM provided very high quality solutions (mean rmsd = 1.06 Å, n = 6) as top-ranked poses, and significantly outperformed a state-of-the-art scoring function. In the case of MAP4K4 inhibitors, for which preexisting 3D knowledge is scarce and chemical diversity is much larger, the accuracy of GRIM poses decays (mean rmsd = 3.18 Å, n = 30) although GRIM still outperforms an energy-based scoring function. GRIM rescoring appears to be quite robust with comparison to the other approaches competing for the same challenge (42 submissions for the HSP90 dataset, 27 for the MAP4K4 dataset) as it ranked 3rd and 2nd respectively, for the two investigated datasets. The rescoring method is quite simple to implement, independent on a docking engine, and applicable to any target for which at least one holo X-ray structure is available.

Small-World Brain Networks Revisited

PubMed Central

Bassett, Danielle S.; Bullmore, Edward T.

2016-01-01

It is nearly 20 years since the concept of a small-world network was first quantitatively defined, by a combination of high clustering and short path length; and about 10 years since this metric of complex network topology began to be widely applied to analysis of neuroimaging and other neuroscience data as part of the rapid growth of the new field of connectomics. Here, we review briefly the foundational concepts of graph theoretical estimation and generation of small-world networks. We take stock of some of the key developments in the field in the past decade and we consider in some detail the implications of recent studies using high-resolution tract-tracing methods to map the anatomical networks of the macaque and the mouse. In doing so, we draw attention to the important methodological distinction between topological analysis of binary or unweighted graphs, which have provided a popular but simple approach to brain network analysis in the past, and the topology of weighted graphs, which retain more biologically relevant information and are more appropriate to the increasingly sophisticated data on brain connectivity emerging from contemporary tract-tracing and other imaging studies. We conclude by highlighting some possible future trends in the further development of weighted small-worldness as part of a deeper and broader understanding of the topology and the functional value of the strong and weak links between areas of mammalian cortex. PMID:27655008

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.

CEREBRA: a 3-D visualization tool for brain network extracted from fMRI data.

PubMed

Nasir, Baris; Yarman Vural, Fatos T

2016-08-01

In this paper, we introduce a new tool, CEREBRA, to visualize the 3D network of human brain, extracted from the fMRI data. The tool aims to analyze the brain connectivity by representing the selected voxels as the nodes of the network. The edge weights among the voxels are estimated by considering the relationships among the voxel time series. The tool enables the researchers to observe the active brain regions and the interactions among them by using graph theoretic measures, such as, the edge weight and node degree distributions. CEREBRA provides an interactive interface with basic display and editing options for the researchers to study their hypotheses about the connectivity of the brain network. CEREBRA interactively simplifies the network by selecting the active voxels and the most correlated edge weights. The researchers may remove the voxels and edges by using local and global thresholds selected on the window. The built-in graph reduction algorithms are then eliminate the irrelevant regions, voxels and edges and display various properties of the network. The toolbox is capable of space-time representation of the voxel time series and estimated arc weights by using the animated heat maps.

Object segmentation using graph cuts and active contours in a pyramidal framework

NASA Astrophysics Data System (ADS)

Subudhi, Priyambada; Mukhopadhyay, Susanta

2018-03-01

Graph cuts and active contours are two very popular interactive object segmentation techniques in the field of computer vision and image processing. However, both these approaches have their own well-known limitations. Graph cut methods perform efficiently giving global optimal segmentation result for smaller images. However, for larger images, huge graphs need to be constructed which not only takes an unacceptable amount of memory but also increases the time required for segmentation to a great extent. On the other hand, in case of active contours, initial contour selection plays an important role in the accuracy of the segmentation. So a proper selection of initial contour may improve the complexity as well as the accuracy of the result. In this paper, we have tried to combine these two approaches to overcome their above-mentioned drawbacks and develop a fast technique of object segmentation. Here, we have used a pyramidal framework and applied the mincut/maxflow algorithm on the lowest resolution image with the least number of seed points possible which will be very fast due to the smaller size of the image. Then, the obtained segmentation contour is super-sampled and and worked as the initial contour for the next higher resolution image. As the initial contour is very close to the actual contour, so fewer number of iterations will be required for the convergence of the contour. The process is repeated for all the high-resolution images and experimental results show that our approach is faster as well as memory efficient as compare to both graph cut or active contour segmentation alone.

xQuake: A Modern Approach to Seismic Network Analytics

NASA Astrophysics Data System (ADS)

Johnson, C. E.; Aikin, K. E.

2017-12-01

While seismic networks have expanded over the past few decades, and social needs for accurate and timely information has increased dramatically, approaches to the operational needs of both global and regional seismic observatories have been slow to adopt new technologies. This presentation presents the xQuake system that provides a fresh approach to seismic network analytics based on complexity theory and an adaptive architecture of streaming connected microservices as diverse data (picks, beams, and other data) flow into a final, curated catalog of events. The foundation for xQuake is the xGraph (executable graph) framework that is essentially a self-organizing graph database. An xGraph instance provides both the analytics as well as the data storage capabilities at the same time. Much of the analytics, such as synthetic annealing in the detection process and an evolutionary programing approach for event evolution, draws from the recent GLASS 3.0 seismic associator developed by and for the USGS National Earthquake Information Center (NEIC). In some respects xQuake is reminiscent of the Earthworm system, in that it comprises processes interacting through store and forward rings; not surprising as the first author was the lead architect of the original Earthworm project when it was known as "Rings and Things". While Earthworm components can easily be integrated into the xGraph processing framework, the architecture and analytics are more current (e.g. using a Kafka Broker for store and forward rings). The xQuake system is being released under an unrestricted open source license to encourage and enable sthe eismic community support in further development of its capabilities.

Layer-by-layer assembly of graphene oxide on thermosensitive liposomes for photo-chemotherapy.

PubMed

Hashemi, Mohadeseh; Omidi, Meisam; Muralidharan, Bharadwaj; Tayebi, Lobat; Herpin, Matthew J; Mohagheghi, Mohammad Ali; Mohammadi, Javad; Smyth, Hugh D C; Milner, Thomas E

2018-01-01

Stimuli responsive polyelectrolyte nanoparticles have been developed for chemo-photothermal destruction of breast cancer cells. This novel system, called layer by layer Lipo-graph (LBL Lipo-graph), is composed of alternate layers of graphene oxide (GO) and graphene oxide conjugated poly (l-lysine) (GO-PLL) deposited on cationic liposomes encapsulating doxorubicin. Various concentrations of GO and GO-PLL were examined and the optimal LBL Lipo-graph was found to have a particle size of 267.9 ± 13 nm, zeta potential of +43.9 ± 6.9 mV and encapsulation efficiency of 86.4 ± 4.7%. The morphology of LBL Lipo-graph was examined by cryogenic-transmission electron microscopy (Cryo-TEM), atomic force microcopy (AFM) and scanning electron microscopy (SEM). The buildup of LBL Lipo-graph was confirmed via ultraviolet-visible (UV-Vis) spectrophotometry, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) analysis. Infra-red (IR) response suggests that four layers are sufficient to induce a gel-to-liquid phase transition in response to near infra-red (NIR) laser irradiation. Light-matter interaction of LBL Lipo-graph was studied by calculating the absorption cross section in the frequency domain by utilizing Fourier analysis. Drug release assay indicates that the LBL Lipo-graph releases much faster in an acidic environment than a liposome control. A cytotoxicity assay was conducted to prove the efficacy of LBL Lipo-graph to destroy MD-MB-231 cells in response to NIR laser emission. Also, image stream flow cytometry and two photon microcopy provide supportive data for the potential application of LBL Lipo-graph for photothermal therapy. Study results suggest the novel dual-sensitive nanoparticles allow intracellular doxorubin delivery and respond to either acidic environments or NIR excitation. Stimuli sensitive hybrid nanoparticles have been synthesized using a layer-by-layer technique and demonstrated for dual chemo-photothermal destruction of breast cancer cells. The hybrid nanoparticles are composed of alternating layers of graphene oxide and graphene oxide conjugated poly-l-lysine coating the surface of a thermosensitive cationic liposome containing doxorubicin as a core. Data suggests that the hybrid nanoparticles may offer many advantages for chemo-photothermal therapy. Advantages include a decrease of the initial burst release which may result in the reduction in systemic toxicity, increase in pH responsivity around the tumor environment and improved NIR light absorption. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

'MacDope': a simulation of drug disposition in the human body: applications in clinical pharmacokinetics.

PubMed Central

Bloch, R; Sweeney, G; Ahmed, K; Dickinson, C J; Ingram, D

1980-01-01

1 We have described a novel approach to absorption, distribution, metabolism and elimination of drugs in which the patient is described using 23 Patient Factors and drugs by up to 50 Drug Factors. Kinetic behavior of a drug results from the interaction of patient and drug factors according to equations describing an eight compartment model. In this model non-linear processes (protein binding, hepatic drug metabolism and renal tubular transport) are handled by derivations of the law of mass action which have been generalised to permit the consequences of multiple drugs interacting at single macromolecular sites to be correctly calculated. 2 The mathematical description of this model is provided in a companion paper and solution of the equations is only possible using a digital computer. The computer programme is provided with an interactional format which makes operation independent of mathematical skills. Patients are defined by age, sex, height and weight with, or without, organ dysfunction; the programme then generates appropriate factors. Drug enters the system when a prescription is type on the keyboard and required Drug Factors are then retrieved from the disc flies. Drug concentrations in plasma or body fluids are given as simple graphs as a function of time, or in tabular form. 3 Any of the Patient or Drug Factors may be altered before, or during a run and up to three drugs may be simulated at one time thus permitting certain kinetic interactions to be examined. The scope of the simulator is illustrated using aspirin: pH dependent gastric absorption, first-order conversion of aspirin to salicylate, partly first order and partly saturable hepatic metabolism of salicylate, and the complex renal handling of this drug are all represented. Interaction of phenytoin with salicylate has been examined quantitatively to suggest limited clinical relevance for the observed displacement of phenytoin from serum albumin. The use of the simulator in a short course of pharmacokinetics is briefly described. PMID:7470372

Reducible boundary conditions in coupled channels

NASA Astrophysics Data System (ADS)

Pankrashkin, Konstantin

2005-10-01

We study Hamiltonians with point interactions in spaces of vector-valued functions. Using some information from the theory of quantum graphs, we describe a class of the operators which can be reduced to the direct sum of several one-dimensional problems. It shown that such a reduction is closely connected with the invariance under channel permutations. Examples are provided by some 'model' interactions, in particular, the so-called δ, δ' and the Kirchhoff couplings.

Nonlinear interaction of infrared waves on a VO2 surface at a semiconductor-metal phase transition

NASA Astrophysics Data System (ADS)

Berger, N. K.; Zhukov, E. A.; Novokhatskii, V. V.

1984-04-01

Nonlinear interactions (including wavefront reversal) of light from CW or pulsed 10.6-micron CO2 lasers at the semiconductor-metal phase transition in a VO2 film are investigated experimentally. The results are presented in graphs and characterized in detail. The intensity reflection coefficients of the three-wave interactions are found to be 0.5 percent for a CW reference wave of intensity 900 mW/sq cm and 42 percent for a pulsed reference wave of threshold density 600-800 microjoule/sq cm.

Graphical Representations of Electronic Search Patterns.

ERIC Educational Resources Information Center

Lin, Xia; And Others

1991-01-01

Discussion of search behavior in electronic environments focuses on the development of GRIP (Graphic Representor of Interaction Patterns), a graphing tool based on HyperCard that produces graphic representations of search patterns. Search state spaces are explained, and forms of data available from electronic searches are described. (34…

Graph-Based Interactive Bibliographic Information Retrieval Systems

ERIC Educational Resources Information Center

Zhu, Yongjun

2017-01-01

In the big data era, we have witnessed the explosion of scholarly literature. This explosion has imposed challenges to the retrieval of bibliographic information. Retrieval of intended bibliographic information has become challenging due to the overwhelming search results returned by bibliographic information retrieval systems for given input…

User interface issues in supporting human-computer integrated scheduling

NASA Technical Reports Server (NTRS)

Cooper, Lynne P.; Biefeld, Eric W.

1991-01-01

The topics are presented in view graph form and include the following: characteristics of Operations Mission Planner (OMP) schedule domain; OMP architecture; definition of a schedule; user interface dimensions; functional distribution; types of users; interpreting user interaction; dynamic overlays; reactive scheduling; and transitioning the interface.

Comparative evaluation of solar, fission, fusion, and fossil energy resources. Part 2: Power from nuclear fission

NASA Technical Reports Server (NTRS)

Clement, J. D.

1973-01-01

Different types of nuclear fission reactors and fissionable materials are compared. Special emphasis is placed upon the environmental impact of such reactors. Graphs and charts comparing reactor facilities in the U. S. are presented.

A linked GeoData map for enabling information access

USGS Publications Warehouse

Powell, Logan J.; Varanka, Dalia E.

2018-01-10

OverviewThe Geospatial Semantic Web (GSW) is an emerging technology that uses the Internet for more effective knowledge engineering and information extraction. Among the aims of the GSW are to structure the semantic specifications of data to reduce ambiguity and to link those data more efficiently. The data are stored as triples, the basic data unit in graph databases, which are similar to the vector data model of geographic information systems (GIS); that is, a node-edge-node model that forms a graph of semantically related information. The GSW is supported by emerging technologies such as linked geospatial data, described below, that enable it to store and manage geographical data that require new cartographic methods for visualization. This report describes a map that can interact with linked geospatial data using a simulation of a data query approach called the browsable graph to find information that is semantically related to a subject of interest, visualized using the Data Driven Documents (D3) library. Such a semantically enabled map functions as a map knowledge base (MKB) (Varanka and Usery, 2017).A MKB differs from a database in an important way. The central element of a triple, alternatively called the edge or property, is composed of a logic formalization that structures the relation between the first and third parts, the nodes or objects. Node-edge-node represents the graphic form of the triple, and the subject-property-object terms represent the data structure. Object classes connect to build a federated graph, similar to a network in visual form. Because the triple property is a logical statement (a predicate), the data graph represents logical propositions or assertions accepted to be true about the subject matter. These logical formalizations can be manipulated to calculate new triples, representing inferred logical assertions, from the existing data.To demonstrate a MKB system, a technical proof-of-concept is developed that uses geographically attributed Resource Description Framework (RDF) serializations of linked data for mapping. The proof-of-concept focuses on accessing triple data from visual elements of a geographic map as the interface to the MKB. The map interface is embedded with other essential functions such as SPARQL Protocol and RDF Query Language (SPARQL) data query endpoint services and reasoning capabilities of Apache Marmotta (Apache Software Foundation, 2017). An RDF database of the Geographic Names Information System (GNIS), which contains official names of domestic feature in the United States, was linked to a county data layer from The National Map of the U.S. Geological Survey. The county data are part of a broader Government Units theme offered to the public as Esri shapefiles. The shapefile used to draw the map itself was converted to a geographic-oriented JavaScript Object Notation (JSON) (GeoJSON) format and linked through various properties with a linked geodata version of the GNIS database called “GNIS–LD” (Butler and others, 2016; B. Regalia and others, University of California-Santa Barbara, written commun., 2017). The GNIS–LD files originated in Terse RDF Triple Language (Turtle) format but were converted to a JSON format specialized in linked data, “JSON–LD” (Beckett and Berners-Lee, 2011; Sorny and others, 2014). The GNIS–LD database is composed of roughly three predominant triple data graphs: Features, Names, and History. The graphs include a set of namespace prefixes used by each of the attributes. Predefining the prefixes made the conversion to the JSON–LD format simple to complete because Turtle and JSON–LD are variant specifications of the basic RDF concept.To convert a shapefile into GeoJSON format to capture the geospatial coordinate geometry objects, an online converter, Mapshaper, was used (Bloch, 2013). To convert the Turtle files, a custom converter written in Java reconstructs the files by parsing each grouping of attributes belonging to one subject and pasting the data into a new file that follows the syntax of JSON–LD. Additionally, the Features file contained its own set of geometries, which was exported into a separate JSON–LD file along with its elevation value to form a fourth file, named “features-geo.json.” Extracted data from external files can be represented in HyperText Markup Language (HTML) path objects. The goal was to import multiple JSON–LD files using this approach.

Science Library of Test Items. Volume Nine. Mastery Testing Programme. [Mastery Tests Series 1.] Tests M1-M13.

ERIC Educational Resources Information Center

New South Wales Dept. of Education, Sydney (Australia).

As part of a series of tests to measure mastery of specific skills in the natural sciences, copies of the first 13 tests are provided. Skills to be tested include: (1) reading a table; (2) using a biological key; (3) identifying chemical symbols; (4) identifying parts of a human body; (5) reading a line graph; (6) identifying electronic and…