Search results for "Parallel"

showing 10 items of 667 documents

Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force field.

2010

Coarse-grained molecular dynamics simulations offer a dramatic extension of the time-scale of simulations compared to all-atom approaches. In this article, we describe the use of the physics-based united-residue (UNRES) force field, developed in our laboratory, in protein-structure simulations. We demonstrate that this force field offers about a 4000-times extension of the simulation time scale; this feature arises both from averaging out the fast-moving degrees of freedom and reduction of the cost of energy and force calculations compared to all-atom approaches with explicit solvent. With massively parallel computers, microsecond folding simulation times of proteins containing about 1000 r…

Protein FoldingStaphylococcus aureusRotationMolecular Dynamics SimulationKinetic energyForce field (chemistry)Protein Structure SecondaryArticleMolecular dynamicsMiceProtein structureBacterial ProteinsComputational chemistryAnimalsStatistical physicsPhysical and Theoretical ChemistryMassively parallelQuantitative Biology::BiomoleculesPrincipal Component AnalysisModels StatisticalChemistryProteinsMicrosecondKineticsBundleSolventsThermodynamicsProtein foldingTranscriptional Elongation FactorsCarrier ProteinsAlgorithmsProtein BindingThe journal of physical chemistry. A
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Quantum Security Proofs Using Semi-classical Oracles

2019

We present an improved version of the one-way to hiding (O2H) Theorem by Unruh, J ACM 2015. Our new O2H Theorem gives higher flexibility (arbitrary joint distributions of oracles and inputs, multiple reprogrammed points) as well as tighter bounds (removing square-root factors, taking parallelism into account). The improved O2H Theorem makes use of a new variant of quantum oracles, semi-classical oracles, where queries are partially measured. The new O2H Theorem allows us to get better security bounds in several public-key encryption schemes.

Provable securityFlexibility (engineering)Post-quantum cryptographyTheoretical computer scienceComputer sciencebusiness.industry0102 computer and information sciences02 engineering and technologyMathematical proofEncryption01 natural sciencesPublic-key cryptographyUnruh effect010201 computation theory & mathematics0202 electrical engineering electronic engineering information engineeringParallelism (grammar)020201 artificial intelligence & image processingbusiness
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A Constructive Arboricity Approximation Scheme

2020

The arboricity \(\varGamma \) of a graph is the minimum number of forests its edge set can be partitioned into. Previous approximation schemes were nonconstructive, i.e., they approximate the arboricity as a value without computing a corresponding forest partition. This is because they operate on pseudoforest partitions or the dual problem of finding dense subgraphs.

PseudoforestArboricityApproximation algorithm0102 computer and information sciences02 engineering and technology01 natural sciencesConstructiveCombinatoricsSet (abstract data type)Computer Science::Discrete Mathematics010201 computation theory & mathematics0202 electrical engineering electronic engineering information engineeringGraph (abstract data type)Partition (number theory)020201 artificial intelligence & image processingMatroid partitioningComputer Science::Data Structures and AlgorithmsGeneralLiterature_REFERENCE(e.g.dictionariesencyclopediasglossaries)Computer Science::Distributed Parallel and Cluster ComputingMathematicsofComputing_DISCRETEMATHEMATICSMathematics
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On the collision property of chaotic iterations based post-treatments over cryptographic pseudorandom number generators

2018

International audience; There is not a proper mathematical definition of chaos, we have instead a quite big amount of definitions, each of one describes chaos in a more or less general context. Taking in account this, it is clear why it is hard to design an algorithm that produce random numbers, a kind of algorithm that could have plenty of concrete appliceautifat (anul)d bions. However we must use a finite state machine (e.g. a laptop) to produce such a sequence of random numbers, thus it is convenient, for obvious reasons, to redefine those aimed sequences as pseudorandom; also problems arise with floating point arithmetic if one wants to recover some real chaotic property (i.e. propertie…

Pseudorandom number generator020203 distributed computingSequenceFinite-state machineDynamical systems theoryComputer science010102 general mathematicsChaotic[INFO.INFO-SE]Computer Science [cs]/Software Engineering [cs.SE]02 engineering and technology[INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation01 natural sciences[INFO.INFO-IU]Computer Science [cs]/Ubiquitous Computing[INFO.INFO-CR]Computer Science [cs]/Cryptography and Security [cs.CR][INFO.INFO-MA]Computer Science [cs]/Multiagent Systems [cs.MA]0202 electrical engineering electronic engineering information engineering[INFO.INFO-ET]Computer Science [cs]/Emerging Technologies [cs.ET][INFO.INFO-DC]Computer Science [cs]/Distributed Parallel and Cluster Computing [cs.DC]0101 mathematicsBoolean functionAlgorithmRandomnessGenerator (mathematics)2018 IEEE Middle East and North Africa Communications Conference (MENACOMM)
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Parallelization of the Wolff single-cluster algorithm.

2010

A parallel [open multiprocessing (OpenMP)] implementation of the Wolff single-cluster algorithm has been developed and tested for the three-dimensional (3D) Ising model. The developed procedure is generalizable to other lattice spin models and its effectiveness depends on the specific application at hand. The applicability of the developed methodology is discussed in the context of the applications, where a sophisticated shuffling scheme is used to generate pseudorandom numbers of high quality, and an iterative method is applied to find the critical temperature of the 3D Ising model with a great accuracy. For the lattice with linear size L=1024, we have reached the speedup about 1.79 times …

Pseudorandom number generatorSpeedupShufflingIterative methodSpin modelIsing modelMultiprocessingParallel computingSerial codeAlgorithmMathematicsPhysical review. E, Statistical, nonlinear, and soft matter physics
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The Peter Pan syndrome: Was James M. Barrie anorexic?

1989

Recently, anorexia nervosa has been referred to as the “Peter Pan syndrome,” a metaphor based on the theme of not growing up. Beside the fact that Peter Pan was a “boy who would not grow up,” another parallelism with anorexia nervosa may lie within the creator himself. We discuss the possibility that James M. Barrie, author of “Peter Pan,” might have been himself anorexic in childhood and adolescence.

Psychiatry and Mental healthPsychoanalysisParallelism (rhetoric)Anorexia nervosa (differential diagnoses)Metaphormedia_common.quotation_subjectPsychologyTheme (narrative)media_commonInternational Journal of Eating Disorders
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Calculus Self-Efficacy Inventory : Its Development and Relationship with Approaches to Learning

2019

This study was framed within a quantitative research methodology to develop a concise measure of calculus self-efficacy with high psychometric properties. A survey research design was adopted in which 234 engineering and economics students rated their confidence in solving year-one calculus tasks on a 15-item inventory. The results of a series of exploratory factor analyses using minimum rank factor analysis for factor extraction, oblique promin rotation, and parallel analysis for retaining extracted factors revealed a one-factor solution of the model. The final 13-item inventory was unidimensional with all eigenvalues greater than 0.42, an average communality of 0.74, and a 62.55% variance…

Public AdministrationPsychometricseducationPhysical Therapy Sports Therapy and RehabilitationMeasure (mathematics)surface approachEducationCorrelation0504 sociologyCronbach's alphaDevelopmental and Educational PsychologyComputer Science (miscellaneous)Calculusparallel analysisMathematicsSelf-efficacydeep approachSeries (mathematics)05 social sciencesRank (computer programming)050401 social sciences methods050301 educationVariance (accounting)Computer Science Applicationsstomatognathic diseaseshigher educationlcsh:Lself-efficacy0503 educationlcsh:Education
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Quantum Entanglement and the Issue of Selective Influences in Psychology: An Overview

2012

Similar formalisms have been independently developed in psychology, to deal with the issue of selective influences (deciding which of several experimental manipulations selectively influences each of several, generally non-independent, response variables), and in quantum mechanics (QM), to deal with the EPR entanglement phenomena (deciding whether an EPR experiment allows for a "classical" account). The parallels between these problems are established by observing that any two noncommuting measurements in QM are mutually exclusive and can therefore be treated as analogs of different values of one and the same input. Both problems reduce to that of the existence of a jointly distributed syst…

Pure mathematics05 social sciencesQuantum entanglement01 natural sciencesRotation formalisms in three dimensions050105 experimental psychologysymbols.namesakeJoint probability distribution0103 physical sciencessymbols0501 psychology and cognitive sciencesStatistical physicsEPR paradox010306 general physicsParallelsRandom variableValue (mathematics)MathematicsVariable (mathematics)
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Further results on generalized centro-invertible matrices

2019

[EN] This paper deals with generalized centro-invertible matrices introduced by the authors in Lebtahi et al. (Appl. Math. Lett. 38, 106¿109, 2014). As a first result, we state the coordinability between the classes of involutory matrices, generalized centro-invertible matrices, and {K}-centrosymmetric matrices. Then, some characterizations of generalized centro-invertible matrices are obtained. A spectral study of generalized centro-invertible matrices is given. In addition, we prove that the sign of a generalized centro-invertible matrix is {K}-centrosymmetric and that the class of generalized centro-invertible matrices is closed under the matrix sign function. Finally, some algorithms ha…

Pure mathematicsClass (set theory)Matrix sign functionCentro-invertible matrices010103 numerical & computational mathematicsSpectral analysisMatrius (Matemàtica)01 natural scienceslaw.inventionMatrix (mathematics)law0101 mathematicsComputer Science::Distributed Parallel and Cluster ComputingMathematicsCentrosymmetric matricesApplied MathematicsNumerical analysisState (functional analysis)INGENIERIA TELEMATICAInverse problem010101 applied mathematicsAnàlisi espectralInvertible matrixTheory of computationInverse problemMATEMATICA APLICADASign (mathematics)
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Non-immersion theorem for a class of hyperbolic manifolds

1998

Abstract It is proved that a non-simply-connected complete hyperbolic manifold cannot be isometrically immersed in a Euclidean space with a flat normal connection. In particular, the complete hyperbolic manifold M n with π 1 ( M ) ≠ 0 cannot be isometrically immersed in R 2 n − 1 .

Pure mathematicsHyperbolic groupHyperbolic spaceMathematical analysisHyperbolic 3-manifoldHyperbolic manifoldUltraparallel theoremMathematics::Geometric TopologyRelatively hyperbolic groupStable manifoldComputational Theory and MathematicsMathematics::Metric GeometryMathematics::Differential GeometryGeometry and TopologyAnalysisHyperbolic equilibrium pointMathematicsDifferential Geometry and its Applications
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