Search results for "Matching"

showing 10 items of 509 documents

Nuclear quantum effects in liquid water from path-integral simulations using anab initioforce-matching approach

2014

We have applied path integral simulations, in combination with new ab initio based water potentials, to investigate nuclear quantum effects in liquid water. Because direct ab initio path integral simulations are computationally expensive, a flexible water model is parameterized by force-matching to density functional theory-based molecular dynamics simulations. The resulting effective potentials provide an inexpensive replacement for direct ab inito molecular dynamics simulations and allow efficient simulation of nuclear quantum effects. Static and dynamic properties of liquid water at ambient conditions are presented and the role of nuclear quantum effects, exchange-correlation functionals…

Chemical Physics (physics.chem-ph)PhysicsStatistical Mechanics (cond-mat.stat-mech)Liquid waterBiophysicsAb initioFOS: Physical sciencesComputational Physics (physics.comp-ph)Condensed Matter - Soft Condensed MatterCondensed Matter PhysicsMolecular dynamicsForce matchingPhysics - Chemical PhysicsQuantum mechanicsDispersion (optics)Path integral formulationWater modelSoft Condensed Matter (cond-mat.soft)Density functional theoryPhysical and Theoretical ChemistryPhysics - Computational PhysicsMolecular BiologyCondensed Matter - Statistical MechanicsMolecular Physics
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Peak deconvolution in one-dimensional chromatography using a two-way data approach.

2002

A deconvolution methodology for overlapped chromatographic signals is proposed. Several single-wavelength chromatograms of binary mixtures, obtained in different runs at diverse concentration ratios of the individual components, were simultaneously processed (multi-batch approach), after being arranged as two-way data. The chromatograms were modelled as linear combinations of forced peak profiles according to a polynomially modified Gaussian equation. The fitting was performed with a previously reported hybrid genetic algorithm with local search, leaving all model parameters free. The approach yielded more accurate solutions than those found when each experimental chromatogram was fitted in…

ChromatographyChromatographyResolution (mass spectrometry)Matching (graph theory)Chemistrybusiness.industryOrganic ChemistryBinary numberGeneral MedicineBiochemistryAnalytical Chemistrysymbols.namesakeData Interpretation StatisticalGaussian functionsymbolsFigure of meritLocal search (optimization)DeconvolutionbusinessLinear combinationJournal of chromatography. A
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Mathematical Morphology for Color Images: An Image-Dependent Approach

2012

This paper proposes one possibility to generalize the morphological operations (particularly, dilation, erosion, opening, and closing) to color images. First, properties of a desirable generalization are stated and a brief review is done on former approaches. Then, the method is explained, which is based on a total ordering of the colors in an image induced by its color histogram; this is valid for just one image and may present problems in smoothly coloured images. To solve these drawbacks a refinement consisting of smoothing the histogram and using a joint histogram of several images is presented. Results of applying the so-defined morphological operations on several sets of images are sh…

Color histogramArticle Subjectbusiness.industryColor normalizationGeneral Mathematicslcsh:MathematicsGeneral EngineeringHistogram matchingComputingMethodologies_IMAGEPROCESSINGANDCOMPUTERVISIONMathematical morphologylcsh:QA1-939lcsh:TA1-2040HistogramComputer Science::Computer Vision and Pattern RecognitionDilation (morphology)Computer visionArtificial intelligencebusinesslcsh:Engineering (General). Civil engineering (General)SmoothingHistogram equalizationMathematicsComputingMethodologies_COMPUTERGRAPHICSMathematical Problems in Engineering
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Languages with mismatches

2007

AbstractIn this paper we study some combinatorial properties of a class of languages that represent sets of words occurring in a text S up to some errors. More precisely, we consider sets of words that occur in a text S with k mismatches in any window of size r. The study of this class of languages mainly focuses both on a parameter, called repetition index, and on the set of the minimal forbidden words of the language of factors of S with errors. The repetition index of a string S is defined as the smallest integer such that all strings of this length occur at most in a unique position of the text S up to errors. We prove that there is a strong relation between the repetition index of S an…

Combinatorics on wordsApproximate string matchingGeneral Computer ScienceRepetition (rhetorical device)String (computer science)Search engine indexingComputer Science::Computation and Language (Computational Linguistics and Natural Language and Speech Processing)Approximate string matchingData structureTheoretical Computer ScienceCombinatoricsSet (abstract data type)Formal languagesCombinatorics on words Formal languages Approximate string matching IndexingIndexingWord (group theory)MathematicsInteger (computer science)Computer Science(all)Theoretical Computer Science
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"Indexing structures for approximate string matching

2003

In this paper we give the first, to our knowledge, structures and corresponding algorithms for approximate indexing, by considering the Hamming distance, having the following properties. i) Their size is linear times a polylog of the size of the text on average. ii) For each pattern x, the time spent by our algorithms for finding the list occ(x) of all occurrences of a pattern x in the text, up to a certain distance, is proportional on average to |x| + |occ(x)|, under an additional but realistic hypothesis.

CombinatoricsCombinatorics on wordsPattern recognition (psychology)Search engine indexingAutomata theoryHamming distanceString searching algorithmApproximate string matchingTime complexityMathematics
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Pattern Matching and Pattern Discovery Algorithms for Protein Topologies

2001

We describe algorithms for pattern-matching and pattern-learning in TOPS diagrams (formal descriptions of protein topologies). These problems can be reduced to checking for subgraph isomorphism and finding maximal common subgraphs in a restricted class of ordered graphs. We have developed a subgraph isomorphism algorithm for ordered graphs, which performs well on the given set of data. The maximal common subgraph problem then is solved by repeated subgraph extension and checking for isomorphisms. Despite its apparent inefficiency, this approach yields an algorithm with time complexity proportional to the number of graphs in the input set and is still practical on the given set of data. As a…

CombinatoricsDiscrete mathematicsSubgraph isomorphism problemMaximal independent setInduced subgraph isomorphism problemPattern matchingFast methodsNetwork topologyTime complexityAlgorithmMaximum common subgraph isomorphism problemMathematicsofComputing_DISCRETEMATHEMATICSMathematics
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Linear-size suffix tries

2016

Suffix trees are highly regarded data structures for text indexing and string algorithms [MCreight 76, Weiner 73]. For any given string w of length n = | w | , a suffix tree for w takes O ( n ) nodes and links. It is often presented as a compacted version of a suffix trie for w, where the latter is the trie (or digital search tree) built on the suffixes of w. Here the compaction process replaces each maximal chain of unary nodes with a single arc. For this, the suffix tree requires that the labels of its arcs are substrings encoded as pointers to w (or equivalent information). On the contrary, the arcs of the suffix trie are labeled by single symbols but there can be Θ ( n 2 ) nodes and lin…

Compressed suffix arrayGeneral Computer ScienceSuffix tree[INFO.INFO-DS]Computer Science [cs]/Data Structures and Algorithms [cs.DS]Generalized suffix tree0102 computer and information sciences02 engineering and technologyData_CODINGANDINFORMATIONTHEORYText indexing01 natural sciencesY-fast trielaw.inventionLongest common substring problemTheoretical Computer ScienceCombinatoricsSuffix treelawFactor and suffix automata0202 electrical engineering electronic engineering information engineeringData_FILESArithmeticFactor and suffix automata; Pattern matching; Suffix tree; Text indexing; Theoretical Computer Science; Computer Science (all)Pattern matchingMathematicsSettore INF/01 - InformaticaX-fast trieComputer Science (all)LCP array010201 computation theory & mathematics020201 artificial intelligence & image processingFM-index
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Quantitative Analysis of Dynamic Association in Live Biological Fluorescent Samples

2014

Determining vesicle localization and association in live microscopy may be challenging due to non-simultaneous imaging of rapidly moving objects with two excitation channels. Besides errors due to movement of objects, imaging may also introduce shifting between the image channels, and traditional colocalization methods cannot handle such situations. Our approach to quantifying the association between tagged proteins is to use an object-based method where the exact match of object locations is not assumed. Point-pattern matching provides a measure of correspondence between two point-sets under various changes between the sets. Thus, it can be used for robust quantitative analysis of vesicle …

Computer and Information SciencesFluorescence-lifetime imaging microscopyMatching (graph theory)Cell SurvivalImage ProcessingAssociation (object-oriented programming)SciencerakkulatBioinformaticsTime-Lapse ImagingFluorescenceImage (mathematics)cellular structuresfluorescence imagingCell Line TumorMolecular Cell BiologyalgoritmitHumansComputer SimulationkuvantamismenetelmätPhysicsta113MicroscopyvesiclesMultidisciplinarySoftware Toolsbusiness.industryCytoplasmic VesiclesQRta1182Biology and Life SciencesSoftware EngineeringColocalizationExperimental dataPattern recognitionCell BiologyObject (computer science)imaging techniquesMolecular ImagingfluoresenssimikroskopiaSignal ProcessingEngineering and TechnologyMedicineArtificial intelligenceCellular Structures and OrganellesbusinessVesicle localizationResearch ArticlePLoS ONE
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Compression-based classification of biological sequences and structures via the Universal Similarity Metric: experimental assessment.

2007

Abstract Background Similarity of sequences is a key mathematical notion for Classification and Phylogenetic studies in Biology. It is currently primarily handled using alignments. However, the alignment methods seem inadequate for post-genomic studies since they do not scale well with data set size and they seem to be confined only to genomic and proteomic sequences. Therefore, alignment-free similarity measures are actively pursued. Among those, USM (Universal Similarity Metric) has gained prominence. It is based on the deep theory of Kolmogorov Complexity and universality is its most novel striking feature. Since it can only be approximated via data compression, USM is a methodology rath…

Computer scienceAlgorismesPrediction by partial matchingCompression dissimilaritycomputer.software_genreBiochemistryProtein Structure SecondaryPhylogenetic studiesStructural BiologySequence Analysis ProteinDatabases Proteinlcsh:QH301-705.5Biological dataNCDApplied MathematicsGenomicsClassificationCDComputer Science ApplicationsBenchmarking:Informàtica::Informàtica teòrica [Àrees temàtiques de la UPC]Universal compression dissimilarityArea Under CurveMetric (mathematics)lcsh:R858-859.7Data miningAlgorithmsData compressionResearch Article:Informàtica::Aplicacions de la informàtica::Bioinformàtica [Àrees temàtiques de la UPC]Normalization (statistics)lcsh:Computer applications to medicine. Medical informaticsBioinformatics Sequence Alignment AlgorithmsSet (abstract data type)Similarity (network science)Normalized compression sissimilarityData compression (Computer science)AnimalsHumansAmino Acid SequenceMolecular BiologyBiologyDades -- Compressió (Informàtica)USMUniversal similarity metricProteinsUCDProtein Structure TertiaryData setGenòmicaStatistical classificationlcsh:Biology (General)ROC CurvecomputerSequence AlignmentSoftwareBMC bioinformatics
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Comparative assessment of spatial perception in augmented reality depending on the consistency of depth cues

2021

Discrepancies between depth cues (accommodation and vergence) is one of the major issues caused in a stereoscopic augmented reality at close viewing distances. It adversely affects not only user comfort but also spatial judgements. Images with consonant cues at different distances have become available due to the implementation of multifocal architecture in the head-mounted displays, although its effect on spatial perception has remained unknown. In this psychophysical study, we investigated the effects of consonant and conflicting depth cues on perceptual distance matching in the stereoscopic environment of augmented reality using a head-mounted display that was driven in two modes: multif…

Computer scienceScienceQGeneral Engineeringvisual perceptiondistance matchingSpatial perceptiondepth cuesaugmented realityhead-mounted displayConsistency (statistics)multiple planes.Augmented realityDepth perceptionCognitive psychologyProceedings of the Estonian Academy of Sciences
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