Hierarchical representation and machine learning from faulty jet engine behavioral examples to detect real time abnormal conditions

NASA Technical Reports Server (NTRS)

Gupta, U. K.; Ali, M.

1988-01-01

The theoretical basis and operation of LEBEX, a machine-learning system for jet-engine performance monitoring, are described. The behavior of the engine is modeled in terms of four parameters (the rotational speeds of the high- and low-speed sections and the exhaust and combustion temperatures), and parameter variations indicating malfunction are transformed into structural representations involving instances and events. LEBEX extracts descriptors from a set of training data on normal and faulty engines, represents them hierarchically in a knowledge base, and uses them to diagnose and predict faults on a real-time basis. Diagrams of the system architecture and printouts of typical results are shown.

Place Cell Networks in Pre-weanling Rats Show Associative Memory Properties from the Onset of Exploratory Behavior.

PubMed

Muessig, L; Hauser, J; Wills, T J; Cacucci, F

2016-08-01

Place cells are hippocampal pyramidal cells that are active when an animal visits a restricted area of the environment, and collectively their activity constitutes a neural representation of space. Place cell populations in the adult rat hippocampus display fundamental properties consistent with an associative memory network: the ability to 1) generate new and distinct spatial firing patterns when encountering novel spatial contexts or changes in sensory input ("remapping") and 2) reinstate previously stored firing patterns when encountering a familiar context, including on the basis of an incomplete/degraded set of sensory cues ("pattern completion"). To date, it is unknown when these spatial memory responses emerge during brain development. Here, we show that, from the age of first exploration (postnatal day 16) onwards, place cell populations already exhibit these key features: they generate new representations upon exposure to a novel context and can reactivate familiar representations on the basis of an incomplete set of sensory cues. These results demonstrate that, as early as exploratory behaviors emerge, and despite the absence of an adult-like grid cell network, the developing hippocampus processes incoming sensory information as an associative memory network. © The Author 2016. Published by Oxford University Press.

Two-rowed Hecke algebra representations at roots of unity

NASA Astrophysics Data System (ADS)

Welsh, Trevor Alan

1996-02-01

In this paper, we initiate a study into the explicit construction of irreducible representations of the Hecke algebraH n (q) of typeA n-1 in the non-generic case whereq is a root of unity. The approach is via the Specht modules ofH n (q) which are irreducible in the generic case, and possess a natural basis indexed by Young tableaux. The general framework in which the irreducible non-genericH n (q)-modules are to be constructed is set up and, in particular, the full set of modules corresponding to two-part partitions is described. Plentiful examples are given.

Unconstrained handwritten numeral recognition based on radial basis competitive and cooperative networks with spatio-temporal feature representation.

PubMed

Lee, S; Pan, J J

1996-01-01

This paper presents a new approach to representation and recognition of handwritten numerals. The approach first transforms a two-dimensional (2-D) spatial representation of a numeral into a three-dimensional (3-D) spatio-temporal representation by identifying the tracing sequence based on a set of heuristic rules acting as transformation operators. A multiresolution critical-point segmentation method is then proposed to extract local feature points, at varying degrees of scale and coarseness. A new neural network architecture, referred to as radial-basis competitive and cooperative network (RCCN), is presented especially for handwritten numeral recognition. RCCN is a globally competitive and locally cooperative network with the capability of self-organizing hidden units to progressively achieve desired network performance, and functions as a universal approximator of arbitrary input-output mappings. Three types of RCCNs are explored: input-space RCCN (IRCCN), output-space RCCN (ORCCN), and bidirectional RCCN (BRCCN). Experiments against handwritten zip code numerals acquired by the U.S. Postal Service indicated that the proposed method is robust in terms of variations, deformations, transformations, and corruption, achieving about 97% recognition rate.

From needs to goals and representations: Foundations for a unified theory of motivation, personality, and development.

PubMed

Dweck, Carol S

2017-11-01

Drawing on both classic and current approaches, I propose a theory that integrates motivation, personality, and development within one framework, using a common set of principles and mechanisms. The theory begins by specifying basic needs and by suggesting how, as people pursue need-fulfilling goals, they build mental representations of their experiences (beliefs, representations of emotions, and representations of action tendencies). I then show how these needs, goals, and representations can serve as the basis of both motivation and personality, and can help to integrate disparate views of personality. The article builds on this framework to provide a new perspective on development, particularly on the forces that propel development and the roles of nature and nurture. I argue throughout that the focus on representations provides an important entry point for change and growth. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Spectral properties of minimal-basis-set orbitals: Implications for molecular electronic continuum states

NASA Astrophysics Data System (ADS)

Langhoff, P. W.; Winstead, C. L.

Early studies of the electronically excited states of molecules by John A. Pople and coworkers employing ab initio single-excitation configuration interaction (SECI) calculations helped to simulate related applications of these methods to the partial-channel photoionization cross sections of polyatomic molecules. The Gaussian representations of molecular orbitals adopted by Pople and coworkers can describe SECI continuum states when sufficiently large basis sets are employed. Minimal-basis virtual Fock orbitals stabilized in the continuous portions of such SECI spectra are generally associated with strong photoionization resonances. The spectral attributes of these resonance orbitals are illustrated here by revisiting previously reported experimental and theoretical studies of molecular formaldehyde (H2CO) in combination with recently calculated continuum orbital amplitudes.

Verifying the equivalence of representations of the knee joint moment vector from a drop vertical jump task.

PubMed

Nichols, Julia K; O'Reilly, Oliver M

2017-03-01

Biomechanics software programs, such as Visual3D, Nexus, Cortex, and OpenSim, have the capability of generating several distinct component representations for joint moments and forces from motion capture data. These representations include those for orthonormal proximal and distal coordinate systems and a non-orthogonal joint coordinate system. In this article, a method is presented to address the challenging problem of evaluating and verifying the equivalence of these representations. The method accommodates the difficulty that there are two possible sets of non-orthogonal basis vectors that can be used to express a vector in the joint coordinate system and is illuminated using motion capture data from a drop vertical jump task. Copyright © 2016 Elsevier B.V. All rights reserved.

Proceedings of the Conference on Joint Problem Solving and Microcomputers.

DTIC Science & Technology

1983-08-01

socio - cultural norm, not as "truth" about the domain, nor on the basis of formal properties attributed to the expert’s mental model. According to Grif...the basis of the task studied or on the grounds of abstract hypotheses about . the domain. Socio - cultural domain representations cannot rely on these...orthogonal to concrete vs. abstract. The con- crete specific acts (some, genetically primary examples) occupy the top left cell. The set of socio - cultural

A projection-free method for representing plane-wave DFT results in an atom-centered basis

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

Dunnington, Benjamin D.; Schmidt, J. R., E-mail: schmidt@chem.wisc.edu

2015-09-14

Plane wave density functional theory (DFT) is a powerful tool for gaining accurate, atomic level insight into bulk and surface structures. Yet, the delocalized nature of the plane wave basis set hinders the application of many powerful post-computation analysis approaches, many of which rely on localized atom-centered basis sets. Traditionally, this gap has been bridged via projection-based techniques from a plane wave to atom-centered basis. We instead propose an alternative projection-free approach utilizing direct calculation of matrix elements of the converged plane wave DFT Hamiltonian in an atom-centered basis. This projection-free approach yields a number of compelling advantages, including strictmore » orthonormality of the resulting bands without artificial band mixing and access to the Hamiltonian matrix elements, while faithfully preserving the underlying DFT band structure. The resulting atomic orbital representation of the Kohn-Sham wavefunction and Hamiltonian provides a gateway to a wide variety of analysis approaches. We demonstrate the utility of the approach for a diverse set of chemical systems and example analysis approaches.« less

System and method for optical fiber based image acquisition suitable for use in turbine engines

DOEpatents

Baleine, Erwan; A V, Varun; Zombo, Paul J.; Varghese, Zubin

2017-05-16

A system and a method for image acquisition suitable for use in a turbine engine are disclosed. Light received from a field of view in an object plane is projected onto an image plane through an optical modulation device and is transferred through an image conduit to a sensor array. The sensor array generates a set of sampled image signals in a sensing basis based on light received from the image conduit. Finally, the sampled image signals are transformed from the sensing basis to a representation basis and a set of estimated image signals are generated therefrom. The estimated image signals are used for reconstructing an image and/or a motion-video of a region of interest within a turbine engine.

A combined representation method for use in band structure calculations. 1: Method

NASA Technical Reports Server (NTRS)

Friedli, C.; Ashcroft, N. W.

1975-01-01

A representation was described whose basis levels combine the important physical aspects of a finite set of plane waves with those of a set of Bloch tight-binding levels. The chosen combination has a particularly simple dependence on the wave vector within the Brillouin Zone, and its use in reducing the standard one-electron band structure problem to the usual secular equation has the advantage that the lattice sums involved in the calculation of the matrix elements are actually independent of the wave vector. For systems with complicated crystal structures, for which the Korringa-Kohn-Rostoker (KKR), Augmented-Plane Wave (APW) and Orthogonalized-Plane Wave (OPW) methods are difficult to apply, the present method leads to results with satisfactory accuracy and convergence.

Visual feature extraction from voxel-weighted averaging of stimulus images in 2 fMRI studies.

PubMed

Hart, Corey B; Rose, William J

2013-11-01

Multiple studies have provided evidence for distributed object representation in the brain, with several recent experiments leveraging basis function estimates for partial image reconstruction from fMRI data. Using a novel combination of statistical decomposition, generalized linear models, and stimulus averaging on previously examined image sets and Bayesian regression of recorded fMRI activity during presentation of these data sets, we identify a subset of relevant voxels that appear to code for covarying object features. Using a technique we term "voxel-weighted averaging," we isolate image filters that these voxels appear to implement. The results, though very cursory, appear to have significant implications for hierarchical and deep-learning-type approaches toward the understanding of neural coding and representation.

A potential energy surface for the process H2 + H2O yielding H + H + H2O - Ab initio calculations and analytical representation

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Walch, Stephen P.; Taylor, Peter R.

1991-01-01

Extensive ab initio calculations on the ground state potential energy surface of H2 + H2O were performed using a large contracted Gaussian basis set and a high level of correlation treatment. An analytical representation of the potential energy surface was then obtained which reproduces the calculated energies with an overall root-mean-square error of only 0.64 mEh. The analytic representation explicitly includes all nine internal degrees of freedom and is also well behaved as the H2 dissociates; it thus can be used to study collision-induced dissociation or recombination of H2. The strategy used to minimize the number of energy calculations is discussed, as well as other advantages of the present method for determining the analytical representation.

The quantum dynamics of electronically nonadiabatic chemical reactions

NASA Technical Reports Server (NTRS)

Truhlar, Donald G.

1993-01-01

Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally adiabatic functions in various quantum scattering algorithms.

Determination of many-electron basis functions for a quantum Hall ground state using Schur polynomials

NASA Astrophysics Data System (ADS)

Mandal, Sudhansu S.; Mukherjee, Sutirtha; Ray, Koushik

2018-03-01

A method for determining the ground state of a planar interacting many-electron system in a magnetic field perpendicular to the plane is described. The ground state wave-function is expressed as a linear combination of a set of basis functions. Given only the flux and the number of electrons describing an incompressible state, we use the combinatorics of partitioning the flux among the electrons to derive the basis wave-functions as linear combinations of Schur polynomials. The procedure ensures that the basis wave-functions form representations of the angular momentum algebra. We exemplify the method by deriving the basis functions for the 5/2 quantum Hall state with a few particles. We find that one of the basis functions is precisely the Moore-Read Pfaffian wave function.

Unitary Transformations in the Quantum Model for Conceptual Conjunctions and Its Application to Data Representation

PubMed Central

Veloz, Tomas; Desjardins, Sylvie

2015-01-01

Quantum models of concept combinations have been successful in representing various experimental situations that cannot be accommodated by traditional models based on classical probability or fuzzy set theory. In many cases, the focus has been on producing a representation that fits experimental results to validate quantum models. However, these representations are not always consistent with the cognitive modeling principles. Moreover, some important issues related to the representation of concepts such as the dimensionality of the realization space, the uniqueness of solutions, and the compatibility of measurements, have been overlooked. In this paper, we provide a dimensional analysis of the realization space for the two-sector Fock space model for conjunction of concepts focusing on the first and second sectors separately. We then introduce various representation of concepts that arise from the use of unitary operators in the realization space. In these concrete representations, a pair of concepts and their combination are modeled by a single conceptual state, and by a collection of exemplar-dependent operators. Therefore, they are consistent with cognitive modeling principles. This framework not only provides a uniform approach to model an entire data set, but, because all measurement operators are expressed in the same basis, allows us to address the question of compatibility of measurements. In particular, we present evidence that it may be possible to predict non-commutative effects from partial measurements of conceptual combinations. PMID:26617556

Unitary Transformations in the Quantum Model for Conceptual Conjunctions and Its Application to Data Representation.

PubMed

Veloz, Tomas; Desjardins, Sylvie

2015-01-01

Quantum models of concept combinations have been successful in representing various experimental situations that cannot be accommodated by traditional models based on classical probability or fuzzy set theory. In many cases, the focus has been on producing a representation that fits experimental results to validate quantum models. However, these representations are not always consistent with the cognitive modeling principles. Moreover, some important issues related to the representation of concepts such as the dimensionality of the realization space, the uniqueness of solutions, and the compatibility of measurements, have been overlooked. In this paper, we provide a dimensional analysis of the realization space for the two-sector Fock space model for conjunction of concepts focusing on the first and second sectors separately. We then introduce various representation of concepts that arise from the use of unitary operators in the realization space. In these concrete representations, a pair of concepts and their combination are modeled by a single conceptual state, and by a collection of exemplar-dependent operators. Therefore, they are consistent with cognitive modeling principles. This framework not only provides a uniform approach to model an entire data set, but, because all measurement operators are expressed in the same basis, allows us to address the question of compatibility of measurements. In particular, we present evidence that it may be possible to predict non-commutative effects from partial measurements of conceptual combinations.

Cognitive and artificial representations in handwriting recognition

NASA Astrophysics Data System (ADS)

Lenaghan, Andrew P.; Malyan, Ron

1996-03-01

Both cognitive processes and artificial recognition systems may be characterized by the forms of representation they build and manipulate. This paper looks at how handwriting is represented in current recognition systems and the psychological evidence for its representation in the cognitive processes responsible for reading. Empirical psychological work on feature extraction in early visual processing is surveyed to show that a sound psychological basis for feature extraction exists and to describe the features this approach leads to. The first stage of the development of an architecture for a handwriting recognition system which has been strongly influenced by the psychological evidence for the cognitive processes and representations used in early visual processing, is reported. This architecture builds a number of parallel low level feature maps from raw data. These feature maps are thresholded and a region labeling algorithm is used to generate sets of features. Fuzzy logic is used to quantify the uncertainty in the presence of individual features.

Schwinger multichannel study of the 2Pi(g) shape resonance in N2

NASA Technical Reports Server (NTRS)

Huo, Winifred M.; Gibson, Thomas L.; Lima, Marco A. P.; Mckoy, Vincent

1987-01-01

The results of a study on electron-target correlations in the 2Pi(g) shape resonance of elastic e-N2 scattering, using the Schwinger multichannel formulation, are reported. The effects of basis set, orbital representation, and closed-channel-configurations are delineated. The different roles of radial and angular correlations are compared.

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

Liakh, Dmitry I

While the formalism of multiresolution analysis (MRA), based on wavelets and adaptive integral representations of operators, is actively progressing in electronic structure theory (mostly on the independent-particle level and, recently, second-order perturbation theory), the concepts of multiresolution and adaptivity can also be utilized within the traditional formulation of correlated (many-particle) theory which is based on second quantization and the corresponding (generally nonorthogonal) tensor algebra. In this paper, we present a formalism called scale-adaptive tensor algebra (SATA) which exploits an adaptive representation of tensors of many-body operators via the local adjustment of the basis set quality. Given a series of locallymore » supported fragment bases of a progressively lower quality, we formulate the explicit rules for tensor algebra operations dealing with adaptively resolved tensor operands. The formalism suggested is expected to enhance the applicability and reliability of local correlated many-body methods of electronic structure theory, especially those directly based on atomic orbitals (or any other localized basis functions).« less

Identities of almost Stable Group Representations

NASA Astrophysics Data System (ADS)

Vovsi, S. M.; Khung Shon, Nguen

1988-02-01

It is proved that almost stable group representations over a field have a finite basis of identities. Moreover, a variety generated by an arbitrary almost stable representation is Specht and all of its subvarieties have a finite uniformly bounded basis rank. In particular, the identities of an arbitrary representation of a finite group are finitely based.Bibliography: 17 titles.

Construction of the Fock Matrix on a Grid-Based Molecular Orbital Basis Using GPGPUs.

PubMed

Losilla, Sergio A; Watson, Mark A; Aspuru-Guzik, Alán; Sundholm, Dage

2015-05-12

We present a GPGPU implementation of the construction of the Fock matrix in the molecular orbital basis using the fully numerical, grid-based bubbles representation. For a test set of molecules containing up to 90 electrons, the total Hartree-Fock energies obtained from reference GTO-based calculations are reproduced within 10(-4) Eh to 10(-8) Eh for most of the molecules studied. Despite the very large number of arithmetic operations involved, the high performance obtained made the calculations possible on a single Nvidia Tesla K40 GPGPU card.

Representation and visualization of variability in a 3D anatomical atlas using the kidney as an example

NASA Astrophysics Data System (ADS)

Hacker, Silke; Handels, Heinz

2006-03-01

Computer-based 3D atlases allow an interactive exploration of the human body. However, in most cases such 3D atlases are derived from one single individual, and therefore do not regard the variability of anatomical structures concerning their shape and size. Since the geometric variability across humans plays an important role in many medical applications, our goal is to develop a framework of an anatomical atlas for representation and visualization of the variability of selected anatomical structures. The basis of the project presented is the VOXEL-MAN atlas of inner organs that was created from the Visible Human data set. For modeling anatomical shapes and their variability we utilize "m-reps" which allow a compact representation of anatomical objects on the basis of their skeletons. As an example we used a statistical model of the kidney that is based on 48 different variants. With the integration of a shape description into the VOXEL-MAN atlas it is now possible to query and visualize different shape variations of an organ, e.g. by specifying a person's age or gender. In addition to the representation of individual shape variants, the average shape of a population can be displayed. Besides a surface representation, a volume-based representation of the kidney's shape variants is also possible. It results from the deformation of the reference kidney of the volume-based model using the m-rep shape description. In this way a realistic visualization of the shape variants becomes possible, as well as the visualization of the organ's internal structures.

Spectral properties from Matsubara Green's function approach: Application to molecules

NASA Astrophysics Data System (ADS)

Schüler, M.; Pavlyukh, Y.

2018-03-01

We present results for many-body perturbation theory for the one-body Green's function at finite temperatures using the Matsubara formalism. Our method relies on the accurate representation of the single-particle states in standard Gaussian basis sets, allowing to efficiently compute, among other observables, quasiparticle energies and Dyson orbitals of atoms and molecules. In particular, we challenge the second-order treatment of the Coulomb interaction by benchmarking its accuracy for a well-established test set of small molecules, which includes also systems where the usual Hartree-Fock treatment encounters difficulties. We discuss different schemes how to extract quasiparticle properties and assess their range of applicability. With an accurate solution and compact representation, our method is an ideal starting point to study electron dynamics in time-resolved experiments by the propagation of the Kadanoff-Baym equations.

Exploration into the Effects of the Schema-Based Instruction: A Bottom-Up Approach

ERIC Educational Resources Information Center

Fujii, Kazuma

2016-01-01

The purpose of this paper is to explore the effective use of the core schema-based instruction (SBI) in a classroom setting. The core schema is a schematic representation of the common underlying meaning of a given lexical item, and was first proposed on the basis of the cognitive linguistic perspectives by the Japanese applied linguists Tanaka,…

Sparse approximation of currents for statistics on curves and surfaces.

PubMed

Durrleman, Stanley; Pennec, Xavier; Trouvé, Alain; Ayache, Nicholas

2008-01-01

Computing, processing, visualizing statistics on shapes like curves or surfaces is a real challenge with many applications ranging from medical image analysis to computational geometry. Modelling such geometrical primitives with currents avoids feature-based approach as well as point-correspondence method. This framework has been proved to be powerful to register brain surfaces or to measure geometrical invariants. However, if the state-of-the-art methods perform efficiently pairwise registrations, new numerical schemes are required to process groupwise statistics due to an increasing complexity when the size of the database is growing. Statistics such as mean and principal modes of a set of shapes often have a heavy and highly redundant representation. We propose therefore to find an adapted basis on which mean and principal modes have a sparse decomposition. Besides the computational improvement, this sparse representation offers a way to visualize and interpret statistics on currents. Experiments show the relevance of the approach on 34 sets of 70 sulcal lines and on 50 sets of 10 meshes of deep brain structures.

Polarization ellipse and Stokes parameters in geometric algebra.

PubMed

Santos, Adler G; Sugon, Quirino M; McNamara, Daniel J

2012-01-01

In this paper, we use geometric algebra to describe the polarization ellipse and Stokes parameters. We show that a solution to Maxwell's equation is a product of a complex basis vector in Jackson and a linear combination of plane wave functions. We convert both the amplitudes and the wave function arguments from complex scalars to complex vectors. This conversion allows us to separate the electric field vector and the imaginary magnetic field vector, because exponentials of imaginary scalars convert vectors to imaginary vectors and vice versa, while exponentials of imaginary vectors only rotate the vector or imaginary vector they are multiplied to. We convert this expression for polarized light into two other representations: the Cartesian representation and the rotated ellipse representation. We compute the conversion relations among the representation parameters and their corresponding Stokes parameters. And finally, we propose a set of geometric relations between the electric and magnetic fields that satisfy an equation similar to the Poincaré sphere equation.

On squares of representations of compact Lie algebras

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

Zeier, Robert, E-mail: robert.zeier@ch.tum.de; Zimborás, Zoltán, E-mail: zimboras@gmail.com

We study how tensor products of representations decompose when restricted from a compact Lie algebra to one of its subalgebras. In particular, we are interested in tensor squares which are tensor products of a representation with itself. We show in a classification-free manner that the sum of multiplicities and the sum of squares of multiplicities in the corresponding decomposition of a tensor square into irreducible representations has to strictly grow when restricted from a compact semisimple Lie algebra to a proper subalgebra. For this purpose, relevant details on tensor products of representations are compiled from the literature. Since the summore » of squares of multiplicities is equal to the dimension of the commutant of the tensor-square representation, it can be determined by linear-algebra computations in a scenario where an a priori unknown Lie algebra is given by a set of generators which might not be a linear basis. Hence, our results offer a test to decide if a subalgebra of a compact semisimple Lie algebra is a proper one without calculating the relevant Lie closures, which can be naturally applied in the field of controlled quantum systems.« less

Vibrational spectra, DFT quantum chemical calculations and conformational analysis of P-iodoanisole.

PubMed

Arivazhagan, M; Anitha Rexalin, D; Geethapriya, J

2013-09-01

The solid phase FT-IR and FT-Raman spectra of P-iodoanisole (P-IA) have been recorded in the regions 400-4000 and 50-4000 cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The structure of the molecule was optimized and the structural characteristics were determined by ab initio (HF) and density functional theory (B3LYP) methods with LanL2DZ as basis set. The potential energy surface scan for the selected dihedral angle of P-IA has been performed to identify stable conformer. The optimized structure parameters and vibrational wavenumbers of stable conformer have been predicted by density functional B3LYP method with LanL2DZ (with effective core potential representations of electrons near the nuclei for post-third row atoms) basis set. The nucleophilic and electrophilic sites obtained from the molecular electrostatic potential (MEP) surface were calculated. The temperature dependence of thermodynamic properties has been analyzed. Several thermodynamic parameters have been calculated using B3LYP with LanL2DZ basis set. Copyright © 2013 Elsevier B.V. All rights reserved.

Contingent attentional capture occurs by activated target congruence.

PubMed

Ariga, Atsunori; Yokosawa, Kazuhiko

2008-05-01

Contingent attentional capture occurs when a stimulus property captures an observer's attention, usually related to the observer's top-down attentional set for target-defining properties. In this study, we examined whether contingent attentional capture occurs for a distractor that does not share the target-defining property at a physical level, but does share that property at an abstract level of representation. In a rapid serial visual presentation stream, we defined the target by color (e.g., a green-colored Japanese kanji character). Before the target onset, we presented a distractor that referred to the target-defining color (e.g., a white-colored character meaning "green"). We observed contingent attentional capture by the distractor, which was reflected by a deficit in identifying the subsequent target. This result suggests that because of the attentional set, stimuli were scanned on the basis of the target-defining property at an abstract semantic level of representation.

Illuminating the conceptual structure of the space of moral violations with searchlight representational similarity analysis.

PubMed

Wasserman, E A; Chakroff, A; Saxe, R; Young, L

2017-10-01

Characterizing how representations of moral violations are organized, cognitively and neurally, is central to understanding how people conceive and judge them. Past work has identified brain regions that represent morally relevant features and distinguish moral domains, but has not yet advanced a broader account of where and on what basis neural representations of moral violations are organized. With searchlight representational similarity analysis, we investigate where category membership drives similarity in neural patterns during moral judgment of violations from two key moral domains: Harm and Purity. Representations converge across domains in a network of regions resembling the mentalizing network. However, Harm and Purity violation representations respectively converge in different regions: precuneus (PC) and left inferior frontal gyrus (LIFG). Examining substructure within moral domains, Harm violations converge in PC regardless of subdomain (physical harms, psychological harms), while Purity subdomains (pathogen-related violations, sex-related violations) converge in distinct sets of regions - mirroring a dissociation observed in principal-component analysis of behavioral data. Further, we find initial evidence for representation of morally relevant features within these two domain-encoding regions. The present analyses offer a case study for understanding how organization within the complex conceptual space of moral violations is reflected in the organization of neural patterns across the cortex. Copyright © 2017 Elsevier Inc. All rights reserved.

Universal quantum gate set approaching fault-tolerant thresholds with superconducting qubits.

PubMed

Chow, Jerry M; Gambetta, Jay M; Córcoles, A D; Merkel, Seth T; Smolin, John A; Rigetti, Chad; Poletto, S; Keefe, George A; Rothwell, Mary B; Rozen, J R; Ketchen, Mark B; Steffen, M

2012-08-10

We use quantum process tomography to characterize a full universal set of all-microwave gates on two superconducting single-frequency single-junction transmon qubits. All extracted gate fidelities, including those for Clifford group generators, single-qubit π/4 and π/8 rotations, and a two-qubit controlled-not, exceed 95% (98%), without (with) subtracting state preparation and measurement errors. Furthermore, we introduce a process map representation in the Pauli basis which is visually efficient and informative. This high-fidelity gate set serves as a critical building block towards scalable architectures of superconducting qubits for error correction schemes and pushes up on the known limits of quantum gate characterization.

Universal Quantum Gate Set Approaching Fault-Tolerant Thresholds with Superconducting Qubits

NASA Astrophysics Data System (ADS)

Chow, Jerry M.; Gambetta, Jay M.; Córcoles, A. D.; Merkel, Seth T.; Smolin, John A.; Rigetti, Chad; Poletto, S.; Keefe, George A.; Rothwell, Mary B.; Rozen, J. R.; Ketchen, Mark B.; Steffen, M.

2012-08-01

We use quantum process tomography to characterize a full universal set of all-microwave gates on two superconducting single-frequency single-junction transmon qubits. All extracted gate fidelities, including those for Clifford group generators, single-qubit π/4 and π/8 rotations, and a two-qubit controlled-not, exceed 95% (98%), without (with) subtracting state preparation and measurement errors. Furthermore, we introduce a process map representation in the Pauli basis which is visually efficient and informative. This high-fidelity gate set serves as a critical building block towards scalable architectures of superconducting qubits for error correction schemes and pushes up on the known limits of quantum gate characterization.

LETTER TO THE EDITOR: Two-centre exchange integrals for complex exponent Slater orbitals

NASA Astrophysics Data System (ADS)

Kuang, Jiyun; Lin, C. D.

1996-12-01

The one-dimensional integral representation for the Fourier transform of a two-centre product of B functions (finite linear combinations of Slater orbitals) with real parameters is generalized to include B functions with complex parameters. This one-dimensional integral representation allows for an efficient method of calculating two-centre exchange integrals with plane-wave electronic translational factors (ETF) over Slater orbitals of real/complex exponents. This method is a significant improvement on the previous two-dimensional quadrature method of the integrals. A new basis set of the form 0953-4075/29/24/005/img1 is proposed to improve the description of pseudo-continuum states in the close-coupling treatment of ion - atom collisions.

A Parallel Product-Convolution approach for representing the depth varying Point Spread Functions in 3D widefield microscopy based on principal component analysis.

PubMed

Arigovindan, Muthuvel; Shaevitz, Joshua; McGowan, John; Sedat, John W; Agard, David A

2010-03-29

We address the problem of computational representation of image formation in 3D widefield fluorescence microscopy with depth varying spherical aberrations. We first represent 3D depth-dependent point spread functions (PSFs) as a weighted sum of basis functions that are obtained by principal component analysis (PCA) of experimental data. This representation is then used to derive an approximating structure that compactly expresses the depth variant response as a sum of few depth invariant convolutions pre-multiplied by a set of 1D depth functions, where the convolving functions are the PCA-derived basis functions. The model offers an efficient and convenient trade-off between complexity and accuracy. For a given number of approximating PSFs, the proposed method results in a much better accuracy than the strata based approximation scheme that is currently used in the literature. In addition to yielding better accuracy, the proposed methods automatically eliminate the noise in the measured PSFs.

Dimensional analysis using toric ideals: primitive invariants.

PubMed

Atherton, Mark A; Bates, Ronald A; Wynn, Henry P

2014-01-01

Classical dimensional analysis in its original form starts by expressing the units for derived quantities, such as force, in terms of power products of basic units [Formula: see text] etc. This suggests the use of toric ideal theory from algebraic geometry. Within this the Graver basis provides a unique primitive basis in a well-defined sense, which typically has more terms than the standard Buckingham approach. Some textbook examples are revisited and the full set of primitive invariants found. First, a worked example based on convection is introduced to recall the Buckingham method, but using computer algebra to obtain an integer [Formula: see text] matrix from the initial integer [Formula: see text] matrix holding the exponents for the derived quantities. The [Formula: see text] matrix defines the dimensionless variables. But, rather than this integer linear algebra approach it is shown how, by staying with the power product representation, the full set of invariants (dimensionless groups) is obtained directly from the toric ideal defined by [Formula: see text]. One candidate for the set of invariants is a simple basis of the toric ideal. This, although larger than the rank of [Formula: see text], is typically not unique. However, the alternative Graver basis is unique and defines a maximal set of invariants, which are primitive in a simple sense. In addition to the running example four examples are taken from: a windmill, convection, electrodynamics and the hydrogen atom. The method reveals some named invariants. A selection of computer algebra packages is used to show the considerable ease with which both a simple basis and a Graver basis can be found.

Representation matters: quantitative behavioral variation in wild worm strains

NASA Astrophysics Data System (ADS)

Brown, Andre

Natural genetic variation in populations is the basis of genome-wide association studies, an approach that has been applied in large studies of humans to study the genetic architecture of complex traits including disease risk. Of course, the traits you choose to measure determine which associated genes you discover (or miss). In large-scale human studies, the measured traits are usually taken as a given during the association step because they are expensive to collect and standardize. Working with the nematode worm C. elegans, we do not have the same constraints. In this talk I will describe how large-scale imaging of worm behavior allows us to develop alternative representations of behavior that vary differently across wild populations. The alternative representations yield novel traits that can be used for genome-wide association studies and may reveal basic properties of the genotype-phenotype map that are obscured if only a small set of fixed traits are used.

Sparsity based target detection for compressive spectral imagery

NASA Astrophysics Data System (ADS)

Boada, David Alberto; Arguello Fuentes, Henry

2016-09-01

Hyperspectral imagery provides significant information about the spectral characteristics of objects and materials present in a scene. It enables object and feature detection, classification, or identification based on the acquired spectral characteristics. However, it relies on sophisticated acquisition and data processing systems able to acquire, process, store, and transmit hundreds or thousands of image bands from a given area of interest which demands enormous computational resources in terms of storage, computationm, and I/O throughputs. Specialized optical architectures have been developed for the compressed acquisition of spectral images using a reduced set of coded measurements contrary to traditional architectures that need a complete set of measurements of the data cube for image acquisition, dealing with the storage and acquisition limitations. Despite this improvement, if any processing is desired, the image has to be reconstructed by an inverse algorithm in order to be processed, which is also an expensive task. In this paper, a sparsity-based algorithm for target detection in compressed spectral images is presented. Specifically, the target detection model adapts a sparsity-based target detector to work in a compressive domain, modifying the sparse representation basis in the compressive sensing problem by means of over-complete training dictionaries and a wavelet basis representation. Simulations show that the presented method can achieve even better detection results than the state of the art methods.

Need for reaction coordinates to ensure a complete basis set in an adiabatic representation of ion-atom collisions

NASA Astrophysics Data System (ADS)

Rabli, Djamal; McCarroll, Ronald

2018-02-01

This review surveys the different theoretical approaches, used to describe inelastic and rearrangement processes in collisions involving atoms and ions. For a range of energies from a few meV up to about 1 keV, the adiabatic representation is expected to be valid and under these conditions, inelastic and rearrangement processes take place via a network of avoided crossings of the potential energy curves of the collision system. In general, such avoided crossings are finite in number. The non-adiabatic coupling, due to the breakdown of the Born-Oppenheimer separation of the electronic and nuclear variables, depends on the ratio of the electron mass to the nuclear mass terms in the total Hamiltonian. By limiting terms in the total Hamiltonian correct to first order in the electron to nuclear mass ratio, a system of reaction coordinates is found which allows for a correct description of both inelastic channels. The connection between the use of reaction coordinates in the quantum description and the electron translation factors of the impact parameter approach is established. A major result is that only when reaction coordinates are used, is it possible to introduce the notion of a minimal basis set. Such a set must include all avoided crossings including both radial coupling and long range Coriolis coupling. But, only when reactive coordinates are used, can such a basis set be considered as complete. In particular when the centre of nuclear mass is used as centre of coordinates, rather than the correct reaction coordinates, it is shown that erroneous results are obtained. A few results to illustrate this important point are presented: one concerning a simple two-state Landau-Zener type avoided crossing, the other concerning a network of multiple crossings in a typical electron capture process involving a highly charged ion with a neutral atom.

An exact variational method to calculate vibrational energies of five atom molecules beyond the normal mode approach

DOE PAGES

Yu, Hua-Gen

2002-01-01

We present a full dimensional variational algorithm to calculate vibrational energies of penta-atomic molecules. The quantum mechanical Hamiltonian of the system for J=0 is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame without any dynamical approximation. Moreover, the vibrational Hamiltonian has been obtained in an explicitly Hermitian form. Variational calculations are performed in a direct product discrete variable representation basis set. The sine functions are used for the radial coordinates, whereas the Legendre polynomials are employed for the polar angles. For the azimuthal angles, the symmetrically adapted Fourier–Chebyshev basis functions are utilized. The eigenvalue problem ismore » solved by a Lanczos iterative diagonalization algorithm. The preliminary application to methane is given. Ultimately, we made a comparison with previous results.« less

Structure and energetics of Cr(CO)6 and Cr(CO)5

NASA Technical Reports Server (NTRS)

Barnes, Leslie A.; Liu, Bowen; Lindh, Roland

1993-01-01

The geometric structures and energetics of Cr(CO)6 and Cr(CO)5 are determined at the modified coupled-pair functional, single and double excitation coupled-cluster (CCSD), and CCSD(T) levels of theory. For Cr(CO)6, the structure and force constants for the totally symmetric representation are in good agreement with experimental data once basis set constants are taken into account. In the largest basis set at the CCSD(T) level of theory, the total binding energy of CR(CO)6 is estimated at around 140 kcal/mol, or about 86 percent of the experimental value. In contrast, the first bond energy of Cr(CO)6 is very well described at the CCSD(T) level of theory, with the best estimated value of 38 kcal/mol being within the experimental uncertainty.

Solid-loaded flows: applications in technology

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

Molerus, O.

1983-01-01

The evaluation of experiments and the representation of the resulting data by nondimensional groups defined ad hoc largely governs the treatment of problems arising with solid-loaded flows in practice. Without doubt, this is a result of the very complex nature of solid-loaded flows and, consequently, empiricism tends to prevail, more or less. To overcome this situation, two sets of nondimensional groups, which take into consideration the translatory, as well as the rotary, motion of particles suspended in a fluid, are derived from the equations of motion of a solid body. The intuitive meaning of these nondimensional groups arises from theirmore » derivation. With respect to applications in engineering, the influence of the rotary motion of a particle on the motion of its center of gravity can thus be taken into account. As such, a common basis for the representation of the different phenomena observed with solid-loaded flows is established. The application of the above concepts to fluidization and hydraulic and pneumatic conveying proves their usefulness. New insights into well-known facts as well as new results demonstrate that taking the real nature of solid particles (i.e., those of finite dimensions) into consideration will provide a common and profound basis for the representation of different phenomena observed with solid-loaded flows in practice.« less

Problem of quantifying quantum correlations with non-commutative discord

NASA Astrophysics Data System (ADS)

Majtey, A. P.; Bussandri, D. G.; Osán, T. M.; Lamberti, P. W.; Valdés-Hernández, A.

2017-09-01

In this work we analyze a non-commutativity measure of quantum correlations recently proposed by Guo (Sci Rep 6:25241, 2016). By resorting to a systematic survey of a two-qubit system, we detected an undesirable behavior of such a measure related to its representation-dependence. In the case of pure states, this dependence manifests as a non-satisfactory entanglement measure whenever a representation other than the Schmidt's is used. In order to avoid this basis-dependence feature, we argue that a minimization procedure over the set of all possible representations of the quantum state is required. In the case of pure states, this minimization can be analytically performed and the optimal basis turns out to be that of Schmidt's. In addition, the resulting measure inherits the main properties of Guo's measure and, unlike the latter, it reduces to a legitimate entanglement measure in the case of pure states. Some examples involving general mixed states are also analyzed considering such an optimization. The results show that, in most cases of interest, the use of Guo's measure can result in an overestimation of quantum correlations. However, since Guo's measure has the advantage of being easily computable, it might be used as a qualitative estimator of the presence of quantum correlations.

Perceiving while producing: Modeling the dynamics of phonological planning

PubMed Central

Roon, Kevin D.; Gafos, Adamantios I.

2016-01-01

We offer a dynamical model of phonological planning that provides a formal instantiation of how the speech production and perception systems interact during online processing. The model is developed on the basis of evidence from an experimental task that requires concurrent use of both systems, the so-called response-distractor task in which speakers hear distractor syllables while they are preparing to produce required responses. The model formalizes how ongoing response planning is affected by perception and accounts for a range of results reported across previous studies. It does so by explicitly addressing the setting of parameter values in representations. The key unit of the model is that of the dynamic field, a distribution of activation over the range of values associated with each representational parameter. The setting of parameter values takes place by the attainment of a stable distribution of activation over the entire field, stable in the sense that it persists even after the response cue in the above experiments has been removed. This and other properties of representations that have been taken as axiomatic in previous work are derived by the dynamics of the proposed model. PMID:27440947

Sparsest representations and approximations of an underdetermined linear system

NASA Astrophysics Data System (ADS)

Tardivel, Patrick J. C.; Servien, Rémi; Concordet, Didier

2018-05-01

In an underdetermined linear system of equations, constrained l 1 minimization methods such as the basis pursuit or the lasso are often used to recover one of the sparsest representations or approximations of the system. The null space property is a sufficient and ‘almost’ necessary condition to recover a sparsest representation with the basis pursuit. Unfortunately, this property cannot be easily checked. On the other hand, the mutual coherence is an easily checkable sufficient condition insuring the basis pursuit to recover one of the sparsest representations. Because the mutual coherence condition is too strong, it is hardly met in practice. Even if one of these conditions holds, to our knowledge, there is no theoretical result insuring that the lasso solution is one of the sparsest approximations. In this article, we study a novel constrained problem that gives, without any condition, one of the sparsest representations or approximations. To solve this problem, we provide a numerical method and we prove its convergence. Numerical experiments show that this approach gives better results than both the basis pursuit problem and the reweighted l 1 minimization problem.

Classification of three-particle states according to an orthonormal SU(3) ⊃ SO(3) basis

NASA Astrophysics Data System (ADS)

del Aguila, F.

1980-09-01

In this paper we generalize Dragt's approach to classifying three-particle states. Using his formalism of creation and annihilation operators, we obtain explicitly a complete set of orthonormal functions YλμRLM on S5. This set of functions carries all the irreducible representations of the group SU(3) reduced according to SO(3). The YλμRLM, which are eigenvectors of the togetherness and angular momentum operators, have very simple properties under three-particle permutations. We obtain also explicitly the coefficients ''3ν'' which reduce the products of these functions.

Dynamics in the Decompositions Approach to Quantum Mechanics

NASA Astrophysics Data System (ADS)

Harding, John

2017-12-01

In Harding (Trans. Amer. Math. Soc. 348(5), 1839-1862 1996) it was shown that the direct product decompositions of any non-empty set, group, vector space, and topological space X form an orthomodular poset Fact X. This is the basis for a line of study in foundational quantum mechanics replacing Hilbert spaces with other types of structures. Here we develop dynamics and an abstract version of a time independent Schrödinger's equation in the setting of decompositions by considering representations of the group of real numbers in the automorphism group of the orthomodular poset Fact X of decompositions.

Flat bases of invariant polynomials and P-matrices of E{sub 7} and E{sub 8}

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

Talamini, Vittorino

2010-02-15

Let G be a compact group of linear transformations of a Euclidean space V. The G-invariant C{sup {infinity}} functions can be expressed as C{sup {infinity}} functions of a finite basic set of G-invariant homogeneous polynomials, sometimes called an integrity basis. The mathematical description of the orbit space V/G depends on the integrity basis too: it is realized through polynomial equations and inequalities expressing rank and positive semidefiniteness conditions of the P-matrix, a real symmetric matrix determined by the integrity basis. The choice of the basic set of G-invariant homogeneous polynomials forming an integrity basis is not unique, so it ismore » not unique the mathematical description of the orbit space too. If G is an irreducible finite reflection group, Saito et al. [Commun. Algebra 8, 373 (1980)] characterized some special basic sets of G-invariant homogeneous polynomials that they called flat. They also found explicitly the flat basic sets of invariant homogeneous polynomials of all the irreducible finite reflection groups except of the two largest groups E{sub 7} and E{sub 8}. In this paper the flat basic sets of invariant homogeneous polynomials of E{sub 7} and E{sub 8} and the corresponding P-matrices are determined explicitly. Using the results here reported one is able to determine easily the P-matrices corresponding to any other integrity basis of E{sub 7} or E{sub 8}. From the P-matrices one may then write down the equations and inequalities defining the orbit spaces of E{sub 7} and E{sub 8} relatively to a flat basis or to any other integrity basis. The results here obtained may be employed concretely to study analytically the symmetry breaking in all theories where the symmetry group is one of the finite reflection groups E{sub 7} and E{sub 8} or one of the Lie groups E{sub 7} and E{sub 8} in their adjoint representations.« less

Functional Parallel Factor Analysis for Functions of One- and Two-dimensional Arguments.

PubMed

Choi, Ji Yeh; Hwang, Heungsun; Timmerman, Marieke E

2018-03-01

Parallel factor analysis (PARAFAC) is a useful multivariate method for decomposing three-way data that consist of three different types of entities simultaneously. This method estimates trilinear components, each of which is a low-dimensional representation of a set of entities, often called a mode, to explain the maximum variance of the data. Functional PARAFAC permits the entities in different modes to be smooth functions or curves, varying over a continuum, rather than a collection of unconnected responses. The existing functional PARAFAC methods handle functions of a one-dimensional argument (e.g., time) only. In this paper, we propose a new extension of functional PARAFAC for handling three-way data whose responses are sequenced along both a two-dimensional domain (e.g., a plane with x- and y-axis coordinates) and a one-dimensional argument. Technically, the proposed method combines PARAFAC with basis function expansion approximations, using a set of piecewise quadratic finite element basis functions for estimating two-dimensional smooth functions and a set of one-dimensional basis functions for estimating one-dimensional smooth functions. In a simulation study, the proposed method appeared to outperform the conventional PARAFAC. We apply the method to EEG data to demonstrate its empirical usefulness.

Toward a computational theory for motion understanding: The expert animators model

NASA Technical Reports Server (NTRS)

Mohamed, Ahmed S.; Armstrong, William W.

1988-01-01

Artificial intelligence researchers claim to understand some aspect of human intelligence when their model is able to emulate it. In the context of computer graphics, the ability to go from motion representation to convincing animation should accordingly be treated not simply as a trick for computer graphics programmers but as important epistemological and methodological goal. In this paper we investigate a unifying model for animating a group of articulated bodies such as humans and robots in a three-dimensional environment. The proposed model is considered in the framework of knowledge representation and processing, with special reference to motion knowledge. The model is meant to help setting the basis for a computational theory for motion understanding applied to articulated bodies.

Birman—Wenzl—Murakami Algebra and Topological Basis

NASA Astrophysics Data System (ADS)

Zhou, Cheng-Cheng; Xue, Kang; Wang, Gang-Cheng; Sun, Chun-Fang; Du, Gui-Jiao

2012-02-01

In this paper, we use entangled states to construct 9 × 9-matrix representations of Temperley—Lieb algebra (TLA), then a family of 9 × 9-matrix representations of Birman—Wenzl—Murakami algebra (BWMA) have been presented. Based on which, three topological basis states have been found. And we apply topological basis states to recast nine-dimensional BWMA into its three-dimensional counterpart. Finally, we find the topological basis states are spin singlet states in special case.

Robust representation and recognition of facial emotions using extreme sparse learning.

PubMed

Shojaeilangari, Seyedehsamaneh; Yau, Wei-Yun; Nandakumar, Karthik; Li, Jun; Teoh, Eam Khwang

2015-07-01

Recognition of natural emotions from human faces is an interesting topic with a wide range of potential applications, such as human-computer interaction, automated tutoring systems, image and video retrieval, smart environments, and driver warning systems. Traditionally, facial emotion recognition systems have been evaluated on laboratory controlled data, which is not representative of the environment faced in real-world applications. To robustly recognize the facial emotions in real-world natural situations, this paper proposes an approach called extreme sparse learning, which has the ability to jointly learn a dictionary (set of basis) and a nonlinear classification model. The proposed approach combines the discriminative power of extreme learning machine with the reconstruction property of sparse representation to enable accurate classification when presented with noisy signals and imperfect data recorded in natural settings. In addition, this paper presents a new local spatio-temporal descriptor that is distinctive and pose-invariant. The proposed framework is able to achieve the state-of-the-art recognition accuracy on both acted and spontaneous facial emotion databases.

H{sub 2} dissociation due to collisions with He

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

Ohlinger, L.; Forrey, R. C.; Lee, Teck-Ghee

2007-10-15

Cross sections for dissociation of H{sub 2} due to collision with He are calculated for highly excited rovibrational states using the quantum-mechanical coupled-states approximation. An L{sup 2} Sturmian basis set with multiple length scales is used to provide a discrete representation of the H{sub 2} continuum which includes orbiting resonances and a nonresonant background. Cross sections are given over a range of translational energies for both resonant and nonresonant dissociation together with the most important bound-state transitions for many different initial states. The results demonstrate that it is possible to compute converged quantum-mechanical cross sections using basis sets of modestmore » size. It is found that collision-induced dissociation competes with inelastic scattering as a depopulation mechanism for the highly excited states. The relevance of the present calculations to astrophysical models is discussed.« less

Fuzziness In Approximate And Common-Sense Reasoning In Knowledge-Based Robotics Systems

NASA Astrophysics Data System (ADS)

Dodds, David R.

1987-10-01

Fuzzy functions, a major key to inexact reasoning, are described as they are applied to the fuzzification of robot co-ordinate systems. Linguistic-variables, a means of labelling ranges in fuzzy sets, are used as computationally pragmatic means of representing spatialization metaphors, themselves an extraordinarily rich basis for understanding concepts in orientational terms. Complex plans may be abstracted and simplified in a system which promotes conceptual planning by means of the orientational representation.

Context-dependent control over attentional capture

PubMed Central

Cosman, Joshua D.; Vecera, Shaun P.

2014-01-01

A number of studies have demonstrated that the likelihood of a salient item capturing attention is dependent on the “attentional set” an individual employs in a given situation. The instantiation of an attentional set is often viewed as a strategic, voluntary process, relying on working memory systems that represent immediate task priorities. However, influential theories of attention and automaticity propose that goal-directed control can operate more or less automatically on the basis of longer-term task representations, a notion supported by a number of recent studies. Here, we provide evidence that longer-term contextual learning can rapidly and automatically influence the instantiation of a given attentional set. Observers learned associations between specific attentional sets and specific task-irrelevant background scenes during a training session, and in the ensuing test session simply reinstating particular scenes on a trial by trial basis biased observers to employ the associated attentional set. This directly influenced the magnitude of attentional capture, suggesting that memory for the context in which a task is performed can play an important role in the ability to instantiate a particular attentional set and overcome distraction by salient, task-irrelevant information. PMID:23025581

Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations.

PubMed

Burkatzki, M; Filippi, Claudia; Dolg, M

2008-10-28

We extend our recently published set of energy-consistent scalar-relativistic Hartree-Fock pseudopotentials by the 3d-transition metal elements, scandium through zinc. The pseudopotentials do not exhibit a singularity at the nucleus and are therefore suitable for quantum Monte Carlo (QMC) calculations. The pseudopotentials and the accompanying basis sets (VnZ with n=T,Q) are given in standard Gaussian representation and their parameter sets are presented. Coupled cluster, configuration interaction, and QMC studies are carried out for the scandium and titanium atoms and their oxides, demonstrating the good performance of the pseudopotentials. Even though the choice of pseudopotential form is motivated by QMC, these pseudopotentials can also be employed in other quantum chemical approaches.

A simple procedure for construction of the orthonormal basis vectors of irreducible representations of O(5) in the OT (3) ⊗ON (2) basis

NASA Astrophysics Data System (ADS)

Pan, Feng; Ding, Xiaoxue; Launey, Kristina D.; Draayer, J. P.

2018-06-01

A simple and effective algebraic isospin projection procedure for constructing orthonormal basis vectors of irreducible representations of O (5) ⊃OT (3) ⊗ON (2) from those in the canonical O (5) ⊃ SUΛ (2) ⊗ SUI (2) basis is outlined. The expansion coefficients are components of null space vectors of the projection matrix with four nonzero elements in each row in general. Explicit formulae for evaluating OT (3)-reduced matrix elements of O (5) generators are derived.

Uncertainty representation of grey numbers and grey sets.

PubMed

Yang, Yingjie; Liu, Sifeng; John, Robert

2014-09-01

In the literature, there is a presumption that a grey set and an interval-valued fuzzy set are equivalent. This presumption ignores the existence of discrete components in a grey number. In this paper, new measurements of uncertainties of grey numbers and grey sets, consisting of both absolute and relative uncertainties, are defined to give a comprehensive representation of uncertainties in a grey number and a grey set. Some simple examples are provided to illustrate that the proposed uncertainty measurement can give an effective representation of both absolute and relative uncertainties in a grey number and a grey set. The relationships between grey sets and interval-valued fuzzy sets are also analyzed from the point of view of the proposed uncertainty representation. The analysis demonstrates that grey sets and interval-valued fuzzy sets provide different but overlapping models for uncertainty representation in sets.

Grobner Basis Representations of Sudoku

ERIC Educational Resources Information Center

Taalman, Laura; Arnold, Elizabeth; Lucas, Stephen

2010-01-01

This paper uses Grobner bases to explore the inherent structure of Sudoku puzzles and boards. In particular, we develop three different ways of representing the constraints of Sudoku puzzles with a system of polynomial equations. In one case, we explicitly show how a Grobner basis can be used to obtain a more meaningful representation of the…

Reduced set averaging of face identity in children and adolescents with autism.

PubMed

Rhodes, Gillian; Neumann, Markus F; Ewing, Louise; Palermo, Romina

2015-01-01

Individuals with autism have difficulty abstracting and updating average representations from their diet of faces. These averages function as perceptual norms for coding faces, and poorly calibrated norms may contribute to face recognition difficulties in autism. Another kind of average, known as an ensemble representation, can be abstracted from briefly glimpsed sets of faces. Here we show for the first time that children and adolescents with autism also have difficulty abstracting ensemble representations from sets of faces. On each trial, participants saw a study set of four identities and then indicated whether a test face was present. The test face could be a set average or a set identity, from either the study set or another set. Recognition of set averages was reduced in participants with autism, relative to age- and ability-matched typically developing participants. This difference, which actually represents more accurate responding, indicates weaker set averaging and thus weaker ensemble representations of face identity in autism. Our finding adds to the growing evidence for atypical abstraction of average face representations from experience in autism. Weak ensemble representations may have negative consequences for face processing in autism, given the importance of ensemble representations in dealing with processing capacity limitations.

The structure and energetics of Cr(CO)6 and Cr(CO)5

NASA Technical Reports Server (NTRS)

Barnes, Leslie A.; Liu, Bowen; Lindh, Roland

1992-01-01

The geometric structure of Cr(CO)6 is optimized at the modified coupled pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD, and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD, and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used. Calculations using larger basis sets reduce the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. In the largest basis set, the total CO binding energy of Cr(CO)6 is estimated to be 140 kcal/mol at the CCSD(T) level of theory, or about 86 percent of the experimental value. The remaining discrepancy between the experimental and theoretical value is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive set (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Beyond Low-Rank Representations: Orthogonal clustering basis reconstruction with optimized graph structure for multi-view spectral clustering.

PubMed

Wang, Yang; Wu, Lin

2018-07-01

Low-Rank Representation (LRR) is arguably one of the most powerful paradigms for Multi-view spectral clustering, which elegantly encodes the multi-view local graph/manifold structures into an intrinsic low-rank self-expressive data similarity embedded in high-dimensional space, to yield a better graph partition than their single-view counterparts. In this paper we revisit it with a fundamentally different perspective by discovering LRR as essentially a latent clustered orthogonal projection based representation winged with an optimized local graph structure for spectral clustering; each column of the representation is fundamentally a cluster basis orthogonal to others to indicate its members, which intuitively projects the view-specific feature representation to be the one spanned by all orthogonal basis to characterize the cluster structures. Upon this finding, we propose our technique with the following: (1) We decompose LRR into latent clustered orthogonal representation via low-rank matrix factorization, to encode the more flexible cluster structures than LRR over primal data objects; (2) We convert the problem of LRR into that of simultaneously learning orthogonal clustered representation and optimized local graph structure for each view; (3) The learned orthogonal clustered representations and local graph structures enjoy the same magnitude for multi-view, so that the ideal multi-view consensus can be readily achieved. The experiments over multi-view datasets validate its superiority, especially over recent state-of-the-art LRR models. Copyright © 2018 Elsevier Ltd. All rights reserved.

A Grobner Basis Solution for Lightning Ground Flash Fraction Retrieval

NASA Technical Reports Server (NTRS)

Solakiewicz, Richard; Attele, Rohan; Koshak, William

2011-01-01

A Bayesian inversion method was previously introduced for retrieving the fraction of ground flashes in a set of flashes observed from a (low earth orbiting or geostationary) satellite lightning imager. The method employed a constrained mixed exponential distribution model to describe the lightning optical measurements. To obtain the optimum model parameters, a scalar function was minimized by a numerical method. In order to improve this optimization, we introduce a Grobner basis solution to obtain analytic representations of the model parameters that serve as a refined initialization scheme to the numerical optimization. Using the Grobner basis, we show that there are exactly 2 solutions involving the first 3 moments of the (exponentially distributed) data. When the mean of the ground flash optical characteristic (e.g., such as the Maximum Group Area, MGA) is larger than that for cloud flashes, then a unique solution can be obtained.

The Analytic Structure of Scattering Amplitudes in N = 4 Super-Yang-Mills Theory

NASA Astrophysics Data System (ADS)

Litsey, Sean Christopher

We begin the dissertation in Chapter 1 with a discussion of tree-level amplitudes in Yang-. Mills theories. The DDM and BCJ decompositions of the amplitudes are described and. related to one another by the introduction of a transformation matrix. This is related to the. Kleiss-Kuijf and BCJ amplitude identities, and we conjecture a connection to the existence. of a BCJ representation via a condition on the generalized inverse of that matrix. Under. two widely-believed assumptions, this relationship is proved. Switching gears somewhat, we introduce the RSVW formulation of the amplitude, and the extension of BCJ-like features to residues of the RSVW integrand is proposed. Using the previously proven connection of BCJ representations to the generalized inverse condition, this extension is validated, including a version of gravitational double copy. The remainder of the dissertation involves an analysis of the analytic properties of loop. amplitudes in N = 4 super-Yang-Mills theory. Chapter 2 contains a review of the planar case, including an exposition of dual variables and momentum twistors, dual conformal symmetry, and their implications for the amplitude. After defining the integrand and on-shell diagrams, we explain the crucial properties that the amplitude has no poles at infinite momentum and that its leading singularities are dual-conformally-invariant cross ratios, and can therefore be normalized to unity. We define the concept of a dlog form, and show that it is a feature of the planar integrand as well. This leads to the definition of a pure integrand basis. The proceeding setup is connected to the amplituhedron formulation, and we put forward the hypothesis that the amplitude is determined by zero conditions. Chapter 3 contains the primary computations of the dissertation. This chapter treats. amplitudes in fully nonplanar N = 4 super-Yang-Mills, analyzing the conjecture that they. follow the pattern of having no poles at infinity, can be written in dlog form, and can. be decomposed into a pure integrand basis, with each basis element having unit leading. singularity. Through explicit calculation, we show that this is true for the two-loop fourpoint, three-loop four-point, and two-loop five-point amplitudes, and discuss the features of. each case. We then discuss the zero condition hypothesis, showing explicitly that it holds for the two-loop four-particle amplitude, and showing the set of conditions that fix the amplitude in the three-loop four-particle and two-loop five-particle cases without explicitly performing the fixing. This concludes the body of the dissertation. Two appendices complete the dissertation. Appendix B includes an in-depth discussion of. dlog forms, including purely mathematical examples and a discussion of their appearance in one-loop amplitudes. Finally, Appendix C redoes portions of the analysis of Chapter 3 for the two- and three-loop four-particle amplitudes, but gives representations that are not in a pure integrand basis. Instead diagram symmetry is imposed on the basis elements, and diagrams that lack maximal cuts are pushed into maximal-cut diagrams. This gives representations closer in spirit to the previously-constructed representations of these amplitudes, such as the BCJ representations. It also highlights the role of color Jacobi identities and the freedom in the amplitude representation they can generate, and contains an explicit discussion of these features that is unpublished elsewhere.

Cosmic sculpture: a new way to visualise the cosmic microwave background

NASA Astrophysics Data System (ADS)

Clements, D. L.; Sato, S.; Portela Fonseca, A.

2017-01-01

3D printing presents an attractive alternative to visual representation of physical datasets such as astronomical images that can be used for research, outreach or teaching purposes, and is especially relevant to people with a visual disability. We here report the use of 3D printing technology to produce a representation of the all-sky cosmic microwave background (CMB) intensity anisotropy maps produced by the Planck mission. The success of this work in representing key features of the CMB is discussed as is the potential of this approach for representing other astrophysical data sets. 3D printing such datasets represents a highly complementary approach to the usual 2D projections used in teaching and outreach work, and can also form the basis of undergraduate projects. The CAD files used to produce the models discussed in this paper are made available.

Deep Neural Networks as a Computational Model for Human Shape Sensitivity

PubMed Central

Op de Beeck, Hans P.

2016-01-01

Theories of object recognition agree that shape is of primordial importance, but there is no consensus about how shape might be represented, and so far attempts to implement a model of shape perception that would work with realistic stimuli have largely failed. Recent studies suggest that state-of-the-art convolutional ‘deep’ neural networks (DNNs) capture important aspects of human object perception. We hypothesized that these successes might be partially related to a human-like representation of object shape. Here we demonstrate that sensitivity for shape features, characteristic to human and primate vision, emerges in DNNs when trained for generic object recognition from natural photographs. We show that these models explain human shape judgments for several benchmark behavioral and neural stimulus sets on which earlier models mostly failed. In particular, although never explicitly trained for such stimuli, DNNs develop acute sensitivity to minute variations in shape and to non-accidental properties that have long been implicated to form the basis for object recognition. Even more strikingly, when tested with a challenging stimulus set in which shape and category membership are dissociated, the most complex model architectures capture human shape sensitivity as well as some aspects of the category structure that emerges from human judgments. As a whole, these results indicate that convolutional neural networks not only learn physically correct representations of object categories but also develop perceptually accurate representational spaces of shapes. An even more complete model of human object representations might be in sight by training deep architectures for multiple tasks, which is so characteristic in human development. PMID:27124699

Speech perception at the interface of neurobiology and linguistics.

PubMed

Poeppel, David; Idsardi, William J; van Wassenhove, Virginie

2008-03-12

Speech perception consists of a set of computations that take continuously varying acoustic waveforms as input and generate discrete representations that make contact with the lexical representations stored in long-term memory as output. Because the perceptual objects that are recognized by the speech perception enter into subsequent linguistic computation, the format that is used for lexical representation and processing fundamentally constrains the speech perceptual processes. Consequently, theories of speech perception must, at some level, be tightly linked to theories of lexical representation. Minimally, speech perception must yield representations that smoothly and rapidly interface with stored lexical items. Adopting the perspective of Marr, we argue and provide neurobiological and psychophysical evidence for the following research programme. First, at the implementational level, speech perception is a multi-time resolution process, with perceptual analyses occurring concurrently on at least two time scales (approx. 20-80 ms, approx. 150-300 ms), commensurate with (sub)segmental and syllabic analyses, respectively. Second, at the algorithmic level, we suggest that perception proceeds on the basis of internal forward models, or uses an 'analysis-by-synthesis' approach. Third, at the computational level (in the sense of Marr), the theory of lexical representation that we adopt is principally informed by phonological research and assumes that words are represented in the mental lexicon in terms of sequences of discrete segments composed of distinctive features. One important goal of the research programme is to develop linking hypotheses between putative neurobiological primitives (e.g. temporal primitives) and those primitives derived from linguistic inquiry, to arrive ultimately at a biologically sensible and theoretically satisfying model of representation and computation in speech.

Non-perturbative calculation of orbital and spin effects in molecules subject to non-uniform magnetic fields

NASA Astrophysics Data System (ADS)

Sen, Sangita; Tellgren, Erik I.

2018-05-01

External non-uniform magnetic fields acting on molecules induce non-collinear spin densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the implementation of a general Hartree-Fock method, without any spin constraints, for non-perturbative calculations with finite non-uniform fields. London atomic orbitals are used to ensure faster basis convergence as well as invariance under constant gauge shifts of the magnetic vector potential. The implementation has been applied to investigate the joint orbital and spin response to a field gradient—quantified through the anapole moments—of a set of small molecules. The relative contributions of orbital and spin-Zeeman interaction terms have been studied both theoretically and computationally. Spin effects are stronger and show a general paramagnetic behavior for closed shell molecules while orbital effects can have either direction. Basis set convergence and size effects of anapole susceptibility tensors have been reported. The relation of the mixed anapole susceptibility tensor to chirality is also demonstrated.

Two-step superresolution approach for surveillance face image through radial basis function-partial least squares regression and locality-induced sparse representation

NASA Astrophysics Data System (ADS)

Jiang, Junjun; Hu, Ruimin; Han, Zhen; Wang, Zhongyuan; Chen, Jun

2013-10-01

Face superresolution (SR), or face hallucination, refers to the technique of generating a high-resolution (HR) face image from a low-resolution (LR) one with the help of a set of training examples. It aims at transcending the limitations of electronic imaging systems. Applications of face SR include video surveillance, in which the individual of interest is often far from cameras. A two-step method is proposed to infer a high-quality and HR face image from a low-quality and LR observation. First, we establish the nonlinear relationship between LR face images and HR ones, according to radial basis function and partial least squares (RBF-PLS) regression, to transform the LR face into the global face space. Then, a locality-induced sparse representation (LiSR) approach is presented to enhance the local facial details once all the global faces for each LR training face are constructed. A comparison of some state-of-the-art SR methods shows the superiority of the proposed two-step approach, RBF-PLS global face regression followed by LiSR-based local patch reconstruction. Experiments also demonstrate the effectiveness under both simulation conditions and some real conditions.

From Semantics to Syntax and Back Again: Argument Structure in the Third Year of Life

ERIC Educational Resources Information Center

Fernandes, Keith J.; Marcus, Gary F.; Di Nubila, Jennifer A.; Vouloumanos, Athena

2006-01-01

An essential part of the human capacity for language is the ability to link conceptual or semantic representations with syntactic representations. On the basis of data from spontaneous production, Tomasello (2000) suggested that young children acquire such links on a verb-by-verb basis, with little in the way of a general understanding of…

SEE: structured representation of scientific evidence in the biomedical domain using Semantic Web techniques

PubMed Central

2014-01-01

Background Accounts of evidence are vital to evaluate and reproduce scientific findings and integrate data on an informed basis. Currently, such accounts are often inadequate, unstandardized and inaccessible for computational knowledge engineering even though computational technologies, among them those of the semantic web, are ever more employed to represent, disseminate and integrate biomedical data and knowledge. Results We present SEE (Semantic EvidencE), an RDF/OWL based approach for detailed representation of evidence in terms of the argumentative structure of the supporting background for claims even in complex settings. We derive design principles and identify minimal components for the representation of evidence. We specify the Reasoning and Discourse Ontology (RDO), an OWL representation of the model of scientific claims, their subjects, their provenance and their argumentative relations underlying the SEE approach. We demonstrate the application of SEE and illustrate its design patterns in a case study by providing an expressive account of the evidence for certain claims regarding the isolation of the enzyme glutamine synthetase. Conclusions SEE is suited to provide coherent and computationally accessible representations of evidence-related information such as the materials, methods, assumptions, reasoning and information sources used to establish a scientific finding by adopting a consistently claim-based perspective on scientific results and their evidence. SEE allows for extensible evidence representations, in which the level of detail can be adjusted and which can be extended as needed. It supports representation of arbitrary many consecutive layers of interpretation and attribution and different evaluations of the same data. SEE and its underlying model could be a valuable component in a variety of use cases that require careful representation or examination of evidence for data presented on the semantic web or in other formats. PMID:25093070

SEE: structured representation of scientific evidence in the biomedical domain using Semantic Web techniques.

PubMed

Bölling, Christian; Weidlich, Michael; Holzhütter, Hermann-Georg

2014-01-01

Accounts of evidence are vital to evaluate and reproduce scientific findings and integrate data on an informed basis. Currently, such accounts are often inadequate, unstandardized and inaccessible for computational knowledge engineering even though computational technologies, among them those of the semantic web, are ever more employed to represent, disseminate and integrate biomedical data and knowledge. We present SEE (Semantic EvidencE), an RDF/OWL based approach for detailed representation of evidence in terms of the argumentative structure of the supporting background for claims even in complex settings. We derive design principles and identify minimal components for the representation of evidence. We specify the Reasoning and Discourse Ontology (RDO), an OWL representation of the model of scientific claims, their subjects, their provenance and their argumentative relations underlying the SEE approach. We demonstrate the application of SEE and illustrate its design patterns in a case study by providing an expressive account of the evidence for certain claims regarding the isolation of the enzyme glutamine synthetase. SEE is suited to provide coherent and computationally accessible representations of evidence-related information such as the materials, methods, assumptions, reasoning and information sources used to establish a scientific finding by adopting a consistently claim-based perspective on scientific results and their evidence. SEE allows for extensible evidence representations, in which the level of detail can be adjusted and which can be extended as needed. It supports representation of arbitrary many consecutive layers of interpretation and attribution and different evaluations of the same data. SEE and its underlying model could be a valuable component in a variety of use cases that require careful representation or examination of evidence for data presented on the semantic web or in other formats.

Dynamic Trial-by-Trial Recoding of Task-Set Representations in the Frontoparietal Cortex Mediates Behavioral Flexibility

PubMed Central

Qiao, Lei; Zhang, Lijie

2017-01-01

Cognitive flexibility forms the core of the extraordinary ability of humans to adapt, but the precise neural mechanisms underlying our ability to nimbly shift between task sets remain poorly understood. Recent functional magnetic resonance imaging (fMRI) studies employing multivoxel pattern analysis (MVPA) have shown that a currently relevant task set can be decoded from activity patterns in the frontoparietal cortex, but whether these regions support the dynamic transformation of task sets from trial to trial is not clear. Here, we combined a cued task-switching protocol with human (both sexes) fMRI, and harnessed representational similarity analysis (RSA) to facilitate a novel assessment of trial-by-trial changes in neural task-set representations. We first used MVPA to define task-sensitive frontoparietal and visual regions and found that neural task-set representations on switch trials are less stably encoded than on repeat trials. We then exploited RSA to show that the neural representational pattern dissimilarity across consecutive trials is greater for switch trials than for repeat trials, and that the degree of this pattern dissimilarity predicts behavior. Moreover, the overall neural pattern of representational dissimilarities followed from the assumption that repeating sets, compared with switching sets, results in stronger neural task representations. Finally, when moving from cue to target phase within a trial, pattern dissimilarities tracked the transformation from previous-trial task representations to the currently relevant set. These results provide neural evidence for the longstanding assumptions of an effortful task-set reconfiguration process hampered by task-set inertia, and they demonstrate that frontoparietal and stimulus processing regions support “dynamic adaptive coding,” flexibly representing changing task sets in a trial-by-trial fashion. SIGNIFICANCE STATEMENT Humans can fluently switch between different tasks, reflecting an ability to dynamically configure “task sets,” rule representations that link stimuli to appropriate responses. Recent studies show that neural signals in frontal and parietal brain regions can tell us which of two tasks a person is currently performing. However, it is not known whether these regions are also involved in dynamically reconfiguring task-set representations when switching between tasks. Here we measured human brain activity during task switching and tracked the similarity of neural task-set representations from trial to trial. We show that frontal and parietal brain regions flexibly recode changing task sets in a trial-by-trial fashion, and that task-set similarity over consecutive trials predicts behavior. PMID:28972126

Foundations of children's numerical and mathematical skills: the roles of symbolic and nonsymbolic representations of numerical magnitude.

PubMed

Lyons, Ian M; Ansari, Daniel

2015-01-01

Numerical and mathematical skills are critical predictors of academic success. The last three decades have seen a substantial growth in our understanding of how the human mind and brain represent and process numbers. In particular, research has shown that we share with animals the ability to represent numerical magnitude (the total number of items in a set) and that preverbal infants can process numerical magnitude. Further research has shown that similar processing signatures characterize numerical magnitude processing across species and developmental time. These findings suggest that an approximate system for nonsymbolic (e.g., dot arrays) numerical magnitude representation serves as the basis for the acquisition of cultural, symbolic (e.g., Arabic numerals) representations of numerical magnitude. This chapter explores this hypothesis by reviewing studies that have examined the relation between individual differences in nonsymbolic numerical magnitude processing and symbolic math abilities (e.g., arithmetic). Furthermore, we examine the extent to which the available literature provides strong evidence for a link between symbolic and nonsymbolic representations of numerical magnitude at the behavioral and neural levels of analysis. We conclude that claims that symbolic number abilities are grounded in the approximate system for the nonsymbolic representation of numerical magnitude are not strongly supported by the available evidence. Alternative models and future research directions are discussed. © 2015 Elsevier Inc. All rights reserved.

Representations of numerical and non-numerical magnitude both contribute to mathematical competence in children.

PubMed

Lourenco, Stella F; Bonny, Justin W

2017-07-01

A growing body of evidence suggests that non-symbolic representations of number, which humans share with nonhuman animals, are functionally related to uniquely human mathematical thought. Other research suggesting that numerical and non-numerical magnitudes not only share analog format but also form part of a general magnitude system raises questions about whether the non-symbolic basis of mathematical thinking is unique to numerical magnitude. Here we examined this issue in 5- and 6-year-old children using comparison tasks of non-symbolic number arrays and cumulative area as well as standardized tests of math competence. One set of findings revealed that scores on both magnitude comparison tasks were modulated by ratio, consistent with shared analog format. Moreover, scores on these tasks were moderately correlated, suggesting overlap in the precision of numerical and non-numerical magnitudes, as expected under a general magnitude system. Another set of findings revealed that the precision of both types of magnitude contributed shared and unique variance to the same math measures (e.g. calculation and geometry), after accounting for age and verbal competence. These findings argue against an exclusive role for non-symbolic number in supporting early mathematical understanding. Moreover, they suggest that mathematical understanding may be rooted in a general system of magnitude representation that is not specific to numerical magnitude but that also encompasses non-numerical magnitude. © 2016 John Wiley & Sons Ltd.

Progress with modeling activity landscapes in drug discovery.

PubMed

Vogt, Martin

2018-04-19

Activity landscapes (ALs) are representations and models of compound data sets annotated with a target-specific activity. In contrast to quantitative structure-activity relationship (QSAR) models, ALs aim at characterizing structure-activity relationships (SARs) on a large-scale level encompassing all active compounds for specific targets. The popularity of AL modeling has grown substantially with the public availability of large activity-annotated compound data sets. AL modeling crucially depends on molecular representations and similarity metrics used to assess structural similarity. Areas covered: The concepts of AL modeling are introduced and its basis in quantitatively assessing molecular similarity is discussed. The different types of AL modeling approaches are introduced. AL designs can broadly be divided into three categories: compound-pair based, dimensionality reduction, and network approaches. Recent developments for each of these categories are discussed focusing on the application of mathematical, statistical, and machine learning tools for AL modeling. AL modeling using chemical space networks is covered in more detail. Expert opinion: AL modeling has remained a largely descriptive approach for the analysis of SARs. Beyond mere visualization, the application of analytical tools from statistics, machine learning and network theory has aided in the sophistication of AL designs and provides a step forward in transforming ALs from descriptive to predictive tools. To this end, optimizing representations that encode activity relevant features of molecules might prove to be a crucial step.

Unitary irreducible representations of SL(2,C) in discrete and continuous SU(1,1) bases

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

Conrady, Florian; Hnybida, Jeff; Department of Physics, University of Waterloo, Waterloo, Ontario

2011-01-15

We derive the matrix elements of generators of unitary irreducible representations of SL(2,C) with respect to basis states arising from a decomposition into irreducible representations of SU(1,1). This is done with regard to a discrete basis diagonalized by J{sup 3} and a continuous basis diagonalized by K{sup 1}, and for both the discrete and continuous series of SU(1,1). For completeness, we also treat the more conventional SU(2) decomposition as a fifth case. The derivation proceeds in a functional/differential framework and exploits the fact that state functions and differential operators have a similar structure in all five cases. The states aremore » defined explicitly and related to SU(1,1) and SU(2) matrix elements.« less

Computational studies of metal-metal and metal-ligand interactions

NASA Technical Reports Server (NTRS)

Barnes, Leslie A.

1992-01-01

The geometric structure of Cr(CO)6 is optimized at the modified coupled-pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. A detailed comparison of the properties of free CO is therefore given, at both the MCPF and CCSD/CCSD(T) levels of treatment, using a variety of basis sets. With very large one-particle basis sets, the SSCD(T) method gives excellent results for the bond distance, dipole moment and harmonic frequency of free CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used here and in a previous study. Calculations using larger basis sets reduced the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. The remaining discrepancy between the experimental and theoretical total binding energy of Cr(CO)6 is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive se (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Action Recognition Using Nonnegative Action Component Representation and Sparse Basis Selection.

PubMed

Wang, Haoran; Yuan, Chunfeng; Hu, Weiming; Ling, Haibin; Yang, Wankou; Sun, Changyin

2014-02-01

In this paper, we propose using high-level action units to represent human actions in videos and, based on such units, a novel sparse model is developed for human action recognition. There are three interconnected components in our approach. First, we propose a new context-aware spatial-temporal descriptor, named locally weighted word context, to improve the discriminability of the traditionally used local spatial-temporal descriptors. Second, from the statistics of the context-aware descriptors, we learn action units using the graph regularized nonnegative matrix factorization, which leads to a part-based representation and encodes the geometrical information. These units effectively bridge the semantic gap in action recognition. Third, we propose a sparse model based on a joint l2,1-norm to preserve the representative items and suppress noise in the action units. Intuitively, when learning the dictionary for action representation, the sparse model captures the fact that actions from the same class share similar units. The proposed approach is evaluated on several publicly available data sets. The experimental results and analysis clearly demonstrate the effectiveness of the proposed approach.

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

Gaponov, Yu. V.

A special Majorana model for three neutrino flavors is developed on the basis of the Pauli transformation group. In this model, the neutrinos possess a partially conserved generalized lepton (Pauli) charge that makes it possible to discriminate between neutrinos of different type. It is shown that, within the model in question, a transition from the basic 'mass' representation, where the average value of this charge is zero, to the representation associated with physical neutrinos characterized by specific Pauli 'flavor' charges establishes a relation between the neutrino mixing angles {theta}{sub mix,12}, {theta}{sub mix,23}, and {theta}{sub mix,13} and an additional relation betweenmore » the Majorana neutrino masses. The Lagrangian mass part, which includes a term invariant under Pauli transformations and a representation-dependent term, concurrently assumes a 'quasi-Dirac' form. With allowance for these relations, the existing set of experimental data on the features of neutrino oscillations makes it possible to obtain quantitative estimates for the absolute values of the neutrino masses and the 2{beta}-decay mass parameter m{sub {beta}{beta}} and a number of additional constraints on the neutrino mixing angles.« less

A coherent discrete variable representation method on a sphere

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

Yu, Hua -Gen

Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.

A coherent discrete variable representation method on a sphere

DOE PAGES

Yu, Hua -Gen

2017-09-05

Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.

State-Based Network Intrusion Detection Systems for SCADA Protocols: A Proof of Concept

NASA Astrophysics Data System (ADS)

Carcano, Andrea; Fovino, Igor Nai; Masera, Marcelo; Trombetta, Alberto

We present a novel Intrusion Detection System able to detect complex attacks to SCADA systems. By complex attack, we mean a set of commands (carried in Modbus packets) that, while licit when considered in isolation on a single-packet basis, interfere with the correct behavior of the system. The proposed IDS detects such attacks thanks to an internal representation of the controlled SCADA system and a corresponding rule language, powerful enough to express the system's critical states. Furthermore, we detail the implementation and provide experimental comparative results.

The field representation language.

PubMed

Tsafnat, Guy

2008-02-01

The complexity of quantitative biomedical models, and the rate at which they are published, is increasing to a point where managing the information has become all but impossible without automation. International efforts are underway to standardise representation languages for a number of mathematical entities that represent a wide variety of physiological systems. This paper presents the Field Representation Language (FRL), a portable representation of values that change over space and/or time. FRL is an extensible mark-up language (XML) derivative with support for large numeric data sets in Hierarchical Data Format version 5 (HDF5). Components of FRL can be reused through unified resource identifiers (URI) that point to external resources such as custom basis functions, boundary geometries and numerical data. To demonstrate the use of FRL as an interchange we present three models that study hyperthermia cancer treatment: a fractal model of liver tumour microvasculature; a probabilistic model simulating the deposition of magnetic microspheres throughout it; and a finite element model of hyperthermic treatment. The microsphere distribution field was used to compute the heat generation rate field around the tumour. We used FRL to convey results from the microsphere simulation to the treatment model. FRL facilitated the conversion of the coordinate systems and approximated the integral over regions of the microsphere deposition field.

Surface representations of two- and three-dimensional fluid flow topology

NASA Technical Reports Server (NTRS)

Helman, James L.; Hesselink, Lambertus

1990-01-01

We discuss our work using critical point analysis to generate representations of the vector field topology of numerical flow data sets. Critical points are located and characterized in a two-dimensional domain, which may be either a two-dimensional flow field or the tangential velocity field near a three-dimensional body. Tangent curves are then integrated out along the principal directions of certain classes of critical points. The points and curves are linked to form a skeleton representing the two-dimensional vector field topology. When generated from the tangential velocity field near a body in a three-dimensional flow, the skeleton includes the critical points and curves which provide a basis for analyzing the three-dimensional structure of the flow separation. The points along the separation curves in the skeleton are used to start tangent curve integrations to generate surfaces representing the topology of the associated flow separations.

Geometric constraints in semiclassical initial value representation calculations in Cartesian coordinates: accurate reduction in zero-point energy.

PubMed

Issack, Bilkiss B; Roy, Pierre-Nicholas

2005-08-22

An approach for the inclusion of geometric constraints in semiclassical initial value representation calculations is introduced. An important aspect of the approach is that Cartesian coordinates are used throughout. We devised an algorithm for the constrained sampling of initial conditions through the use of multivariate Gaussian distribution based on a projected Hessian. We also propose an approach for the constrained evaluation of the so-called Herman-Kluk prefactor in its exact log-derivative form. Sample calculations are performed for free and constrained rare-gas trimers. The results show that the proposed approach provides an accurate evaluation of the reduction in zero-point energy. Exact basis set calculations are used to assess the accuracy of the semiclassical results. Since Cartesian coordinates are used, the approach is general and applicable to a variety of molecular and atomic systems.

Non-crystallographic nets: characterization and first steps towards a classification.

PubMed

Moreira de Oliveira, Montauban; Eon, Jean Guillaume

2014-05-01

Non-crystallographic (NC) nets are periodic nets characterized by the existence of non-trivial bounded automorphisms. Such automorphisms cannot be associated with any crystallographic symmetry in realizations of the net by crystal structures. It is shown that bounded automorphisms of finite order form a normal subgroup F(N) of the automorphism group of NC nets (N, T). As a consequence, NC nets are unstable nets (they display vertex collisions in any barycentric representation) and, conversely, stable nets are crystallographic nets. The labelled quotient graphs of NC nets are characterized by the existence of an equivoltage partition (a partition of the vertex set that preserves label vectors over edges between cells). A classification of NC nets is proposed on the basis of (i) their relationship to the crystallographic net with a homeomorphic barycentric representation and (ii) the structure of the subgroup F(N).

Derivation of Rigid Body Analysis Models from Vehicle Architecture Abstractions

DTIC Science & Technology

2011-06-17

models of every type have their basis in some type of physical representation of the design domain. Rather than describing three-dimensional continua of...arrangement, while capturing just enough physical detail to be used as the basis for a meaningful representation of the design , and eventually, analyses that...permit architecture assessment. The design information captured by the abstractions is available at the very earliest stages of the vehicle

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2018-06-01

The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2017-12-01

The diffusion forecasting is a nonparametric approach that provably solves the Fokker-Planck PDE corresponding to Itô diffusion without knowing the underlying equation. The key idea of this method is to approximate the solution of the Fokker-Planck equation with a discrete representation of the shift (Koopman) operator on a set of basis functions generated via the diffusion maps algorithm. While the choice of these basis functions is provably optimal under appropriate conditions, computing these basis functions is quite expensive since it requires the eigendecomposition of an N× N diffusion matrix, where N denotes the data size and could be very large. For large-scale forecasting problems, only a few leading eigenvectors are computationally achievable. To overcome this computational bottleneck, a new set of basis functions constructed by orthonormalizing selected columns of the diffusion matrix and its leading eigenvectors is proposed. This computation can be carried out efficiently via the unpivoted Householder QR factorization. The efficiency and effectiveness of the proposed algorithm will be shown in both deterministically chaotic and stochastic dynamical systems; in the former case, the superiority of the proposed basis functions over purely eigenvectors is significant, while in the latter case forecasting accuracy is improved relative to using a purely small number of eigenvectors. Supporting arguments will be provided on three- and six-dimensional chaotic ODEs, a three-dimensional SDE that mimics turbulent systems, and also on the two spatial modes associated with the boreal winter Madden-Julian Oscillation obtained from applying the Nonlinear Laplacian Spectral Analysis on the measured Outgoing Longwave Radiation.

Linear-scaling explicitly correlated treatment of solids: periodic local MP2-F12 method.

PubMed

Usvyat, Denis

2013-11-21

Theory and implementation of the periodic local MP2-F12 method in the 3*A fixed-amplitude ansatz is presented. The method is formulated in the direct space, employing local representation for the occupied, virtual, and auxiliary orbitals in the form of Wannier functions (WFs), projected atomic orbitals (PAOs), and atom-centered Gaussian-type orbitals, respectively. Local approximations are introduced, restricting the list of the explicitly correlated pairs, as well as occupied, virtual, and auxiliary spaces in the strong orthogonality projector to the pair-specific domains on the basis of spatial proximity of respective orbitals. The 4-index two-electron integrals appearing in the formalism are approximated via the direct-space density fitting technique. In this procedure, the fitting orbital spaces are also restricted to local fit-domains surrounding the fitted densities. The formulation of the method and its implementation exploits the translational symmetry and the site-group symmetries of the WFs. Test calculations are performed on LiH crystal. The results show that the periodic LMP2-F12 method substantially accelerates basis set convergence of the total correlation energy, and even more so the correlation energy differences. The resulting energies are quite insensitive to the resolution-of-the-identity domain sizes and the quality of the auxiliary basis sets. The convergence with the orbital domain size is somewhat slower, but still acceptable. Moreover, inclusion of slightly more diffuse functions, than those usually used in the periodic calculations, improves the convergence of the LMP2-F12 correlation energy with respect to both the size of the PAO-domains and the quality of the orbital basis set. At the same time, the essentially diffuse atomic orbitals from standard molecular basis sets, commonly utilized in molecular MP2-F12 calculations, but problematic in the periodic context, are not necessary for LMP2-F12 treatment of crystals.

Vector-based navigation using grid-like representations in artificial agents.

PubMed

Banino, Andrea; Barry, Caswell; Uria, Benigno; Blundell, Charles; Lillicrap, Timothy; Mirowski, Piotr; Pritzel, Alexander; Chadwick, Martin J; Degris, Thomas; Modayil, Joseph; Wayne, Greg; Soyer, Hubert; Viola, Fabio; Zhang, Brian; Goroshin, Ross; Rabinowitz, Neil; Pascanu, Razvan; Beattie, Charlie; Petersen, Stig; Sadik, Amir; Gaffney, Stephen; King, Helen; Kavukcuoglu, Koray; Hassabis, Demis; Hadsell, Raia; Kumaran, Dharshan

2018-05-01

Deep neural networks have achieved impressive successes in fields ranging from object recognition to complex games such as Go 1,2 . Navigation, however, remains a substantial challenge for artificial agents, with deep neural networks trained by reinforcement learning 3-5 failing to rival the proficiency of mammalian spatial behaviour, which is underpinned by grid cells in the entorhinal cortex 6 . Grid cells are thought to provide a multi-scale periodic representation that functions as a metric for coding space 7,8 and is critical for integrating self-motion (path integration) 6,7,9 and planning direct trajectories to goals (vector-based navigation) 7,10,11 . Here we set out to leverage the computational functions of grid cells to develop a deep reinforcement learning agent with mammal-like navigational abilities. We first trained a recurrent network to perform path integration, leading to the emergence of representations resembling grid cells, as well as other entorhinal cell types 12 . We then showed that this representation provided an effective basis for an agent to locate goals in challenging, unfamiliar, and changeable environments-optimizing the primary objective of navigation through deep reinforcement learning. The performance of agents endowed with grid-like representations surpassed that of an expert human and comparison agents, with the metric quantities necessary for vector-based navigation derived from grid-like units within the network. Furthermore, grid-like representations enabled agents to conduct shortcut behaviours reminiscent of those performed by mammals. Our findings show that emergent grid-like representations furnish agents with a Euclidean spatial metric and associated vector operations, providing a foundation for proficient navigation. As such, our results support neuroscientific theories that see grid cells as critical for vector-based navigation 7,10,11 , demonstrating that the latter can be combined with path-based strategies to support navigation in challenging environments.

MOAB : a mesh-oriented database.

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

Tautges, Timothy James; Ernst, Corey; Stimpson, Clint

A finite element mesh is used to decompose a continuous domain into a discretized representation. The finite element method solves PDEs on this mesh by modeling complex functions as a set of simple basis functions with coefficients at mesh vertices and prescribed continuity between elements. The mesh is one of the fundamental types of data linking the various tools in the FEA process (mesh generation, analysis, visualization, etc.). Thus, the representation of mesh data and operations on those data play a very important role in FEA-based simulations. MOAB is a component for representing and evaluating mesh data. MOAB can storemore » structured and unstructured mesh, consisting of elements in the finite element 'zoo'. The functional interface to MOAB is simple yet powerful, allowing the representation of many types of metadata commonly found on the mesh. MOAB is optimized for efficiency in space and time, based on access to mesh in chunks rather than through individual entities, while also versatile enough to support individual entity access. The MOAB data model consists of a mesh interface instance, mesh entities (vertices and elements), sets, and tags. Entities are addressed through handles rather than pointers, to allow the underlying representation of an entity to change without changing the handle to that entity. Sets are arbitrary groupings of mesh entities and other sets. Sets also support parent/child relationships as a relation distinct from sets containing other sets. The directed-graph provided by set parent/child relationships is useful for modeling topological relations from a geometric model or other metadata. Tags are named data which can be assigned to the mesh as a whole, individual entities, or sets. Tags are a mechanism for attaching data to individual entities and sets are a mechanism for describing relations between entities; the combination of these two mechanisms is a powerful yet simple interface for representing metadata or application-specific data. For example, sets and tags can be used together to describe geometric topology, boundary condition, and inter-processor interface groupings in a mesh. MOAB is used in several ways in various applications. MOAB serves as the underlying mesh data representation in the VERDE mesh verification code. MOAB can also be used as a mesh input mechanism, using mesh readers included with MOAB, or as a translator between mesh formats, using readers and writers included with MOAB. The remainder of this report is organized as follows. Section 2, 'Getting Started', provides a few simple examples of using MOAB to perform simple tasks on a mesh. Section 3 discusses the MOAB data model in more detail, including some aspects of the implementation. Section 4 summarizes the MOAB function API. Section 5 describes some of the tools included with MOAB, and the implementation of mesh readers/writers for MOAB. Section 6 contains a brief description of MOAB's relation to the TSTT mesh interface. Section 7 gives a conclusion and future plans for MOAB development. Section 8 gives references cited in this report. A reference description of the full MOAB API is contained in Section 9.« less

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals

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

Pinski, Peter; Riplinger, Christoph; Neese, Frank, E-mail: evaleev@vt.edu, E-mail: frank.neese@cec.mpg.de

2015-07-21

In this work, a systematic infrastructure is described that formalizes concepts implicit in previous work and greatly simplifies computer implementation of reduced-scaling electronic structure methods. The key concept is sparse representation of tensors using chains of sparse maps between two index sets. Sparse map representation can be viewed as a generalization of compressed sparse row, a common representation of a sparse matrix, to tensor data. By combining few elementary operations on sparse maps (inversion, chaining, intersection, etc.), complex algorithms can be developed, illustrated here by a linear-scaling transformation of three-center Coulomb integrals based on our compact code library that implementsmore » sparse maps and operations on them. The sparsity of the three-center integrals arises from spatial locality of the basis functions and domain density fitting approximation. A novel feature of our approach is the use of differential overlap integrals computed in linear-scaling fashion for screening products of basis functions. Finally, a robust linear scaling domain based local pair natural orbital second-order Möller-Plesset (DLPNO-MP2) method is described based on the sparse map infrastructure that only depends on a minimal number of cutoff parameters that can be systematically tightened to approach 100% of the canonical MP2 correlation energy. With default truncation thresholds, DLPNO-MP2 recovers more than 99.9% of the canonical resolution of the identity MP2 (RI-MP2) energy while still showing a very early crossover with respect to the computational effort. Based on extensive benchmark calculations, relative energies are reproduced with an error of typically <0.2 kcal/mol. The efficiency of the local MP2 (LMP2) method can be drastically improved by carrying out the LMP2 iterations in a basis of pair natural orbitals. While the present work focuses on local electron correlation, it is of much broader applicability to computation with sparse tensors in quantum chemistry and beyond.« less

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals.

PubMed

Pinski, Peter; Riplinger, Christoph; Valeev, Edward F; Neese, Frank

2015-07-21

In this work, a systematic infrastructure is described that formalizes concepts implicit in previous work and greatly simplifies computer implementation of reduced-scaling electronic structure methods. The key concept is sparse representation of tensors using chains of sparse maps between two index sets. Sparse map representation can be viewed as a generalization of compressed sparse row, a common representation of a sparse matrix, to tensor data. By combining few elementary operations on sparse maps (inversion, chaining, intersection, etc.), complex algorithms can be developed, illustrated here by a linear-scaling transformation of three-center Coulomb integrals based on our compact code library that implements sparse maps and operations on them. The sparsity of the three-center integrals arises from spatial locality of the basis functions and domain density fitting approximation. A novel feature of our approach is the use of differential overlap integrals computed in linear-scaling fashion for screening products of basis functions. Finally, a robust linear scaling domain based local pair natural orbital second-order Möller-Plesset (DLPNO-MP2) method is described based on the sparse map infrastructure that only depends on a minimal number of cutoff parameters that can be systematically tightened to approach 100% of the canonical MP2 correlation energy. With default truncation thresholds, DLPNO-MP2 recovers more than 99.9% of the canonical resolution of the identity MP2 (RI-MP2) energy while still showing a very early crossover with respect to the computational effort. Based on extensive benchmark calculations, relative energies are reproduced with an error of typically <0.2 kcal/mol. The efficiency of the local MP2 (LMP2) method can be drastically improved by carrying out the LMP2 iterations in a basis of pair natural orbitals. While the present work focuses on local electron correlation, it is of much broader applicability to computation with sparse tensors in quantum chemistry and beyond.

A Bayesian spatial model for neuroimaging data based on biologically informed basis functions.

PubMed

Huertas, Ismael; Oldehinkel, Marianne; van Oort, Erik S B; Garcia-Solis, David; Mir, Pablo; Beckmann, Christian F; Marquand, Andre F

2017-11-01

The dominant approach to neuroimaging data analysis employs the voxel as the unit of computation. While convenient, voxels lack biological meaning and their size is arbitrarily determined by the resolution of the image. Here, we propose a multivariate spatial model in which neuroimaging data are characterised as a linearly weighted combination of multiscale basis functions which map onto underlying brain nuclei or networks or nuclei. In this model, the elementary building blocks are derived to reflect the functional anatomy of the brain during the resting state. This model is estimated using a Bayesian framework which accurately quantifies uncertainty and automatically finds the most accurate and parsimonious combination of basis functions describing the data. We demonstrate the utility of this framework by predicting quantitative SPECT images of striatal dopamine function and we compare a variety of basis sets including generic isotropic functions, anatomical representations of the striatum derived from structural MRI, and two different soft functional parcellations of the striatum derived from resting-state fMRI (rfMRI). We found that a combination of ∼50 multiscale functional basis functions accurately represented the striatal dopamine activity, and that functional basis functions derived from an advanced parcellation technique known as Instantaneous Connectivity Parcellation (ICP) provided the most parsimonious models of dopamine function. Importantly, functional basis functions derived from resting fMRI were more accurate than both structural and generic basis sets in representing dopamine function in the striatum for a fixed model order. We demonstrate the translational validity of our framework by constructing classification models for discriminating parkinsonian disorders and their subtypes. Here, we show that ICP approach is the only basis set that performs well across all comparisons and performs better overall than the classical voxel-based approach. This spatial model constitutes an elegant alternative to voxel-based approaches in neuroimaging studies; not only are their atoms biologically informed, they are also adaptive to high resolutions, represent high dimensions efficiently, and capture long-range spatial dependencies, which are important and challenging objectives for neuroimaging data. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

A generalized algorithm to design finite field normal basis multipliers

NASA Technical Reports Server (NTRS)

Wang, C. C.

1986-01-01

Finite field arithmetic logic is central in the implementation of some error-correcting coders and some cryptographic devices. There is a need for good multiplication algorithms which can be easily realized. Massey and Omura recently developed a new multiplication algorithm for finite fields based on a normal basis representation. Using the normal basis representation, the design of the finite field multiplier is simple and regular. The fundamental design of the Massey-Omura multiplier is based on a design of a product function. In this article, a generalized algorithm to locate a normal basis in a field is first presented. Using this normal basis, an algorithm to construct the product function is then developed. This design does not depend on particular characteristics of the generator polynomial of the field.

Representation of Students in Solving Simultaneous Linear Equation Problems Based on Multiple Intelligence

NASA Astrophysics Data System (ADS)

Yanti, Y. R.; Amin, S. M.; Sulaiman, R.

2018-01-01

This study described representation of students who have musical, logical-mathematic and naturalist intelligence in solving a problem. Subjects were selected on the basis of multiple intelligence tests (TPM) consists of 108 statements, with 102 statements adopted from Chislet and Chapman and 6 statements equal to eksistensial intelligences. Data were analyzed based on problem-solving tests (TPM) and interviewing. See the validity of the data then problem-solving tests (TPM) and interviewing is given twice with an analyzed using the representation indikator and the problem solving step. The results showed that: the stage of presenting information known, stage of devising a plan, and stage of carrying out the plan those three subjects were using same form of representation. While he stage of presenting information asked and stage of looking back, subject of logical-mathematic was using different forms of representation with subjects of musical and naturalist intelligence. From this research is expected to provide input to the teacher in determining the learning strategy that will be used by considering the representation of students with the basis of multiple intelligences.

Data sets for author name disambiguation: an empirical analysis and a new resource.

PubMed

Müller, Mark-Christoph; Reitz, Florian; Roy, Nicolas

2017-01-01

Data sets of publication meta data with manually disambiguated author names play an important role in current author name disambiguation (AND) research. We review the most important data sets used so far, and compare their respective advantages and shortcomings. From the results of this review, we derive a set of general requirements to future AND data sets. These include both trivial requirements, like absence of errors and preservation of author order, and more substantial ones, like full disambiguation and adequate representation of publications with a small number of authors and highly variable author names. On the basis of these requirements, we create and make publicly available a new AND data set, SCAD-zbMATH. Both the quantitative analysis of this data set and the results of our initial AND experiments with a naive baseline algorithm show the SCAD-zbMATH data set to be considerably different from existing ones. We consider it a useful new resource that will challenge the state of the art in AND and benefit the AND research community.

Analysis of the ST-T complex of the electrocardiogram using the Karhunen--Loeve transform: adaptive monitoring and alternans detection

NASA Technical Reports Server (NTRS)

Laguna, P.; Moody, G. B.; Garcia, J.; Goldberger, A. L.; Mark, R. G.

1999-01-01

The Karhunen-Loeve transform (KLT) is applied to study the ventricular repolarisation period as reflected in the ST-T complex of the surface ECG. The KLT coefficients provide a sensitive means of quantitating ST-T shapes. A training set of ST-T complexes is used to derive a set of KLT basis vectors that permits representation of 90% of the signal energy using four KLT coefficients. As a truncated KLT expansion tends to favor representation of the signal over any additive noise, a time series of KLT coefficients obtained from successive ST-T complexes is better suited for representation of both medium-term variations (such as ischemic changes) and short-term variations (such as ST-T alternans) than discrete parameters such as the ST level or other local indices. For analysis of ischemic changes, an adaptive filter is described that can be used to estimate the KLT coefficient, yielding an increase in the signal-to-noise ratio of 10 dB (u = 0.1), with a convergence time of about three beats. A beat spectrum of the unfiltered KLT coefficient series is used for detection of ST-T alterans. These methods are illustrated with examples from the European ST-T Database. About 20% of records revealed quasi-periodic salvos of ischemic ST-T change episodes and another 20% exhibit repetitive, but not clearly periodic patterns of ST-T change episodes. About 5% of ischemic episodes were associated with ST-T alterans.

Gaussian Process Regression (GPR) Representation in Predictive Model Markup Language (PMML)

PubMed Central

Lechevalier, D.; Ak, R.; Ferguson, M.; Law, K. H.; Lee, Y.-T. T.; Rachuri, S.

2017-01-01

This paper describes Gaussian process regression (GPR) models presented in predictive model markup language (PMML). PMML is an extensible-markup-language (XML) -based standard language used to represent data-mining and predictive analytic models, as well as pre- and post-processed data. The previous PMML version, PMML 4.2, did not provide capabilities for representing probabilistic (stochastic) machine-learning algorithms that are widely used for constructing predictive models taking the associated uncertainties into consideration. The newly released PMML version 4.3, which includes the GPR model, provides new features: confidence bounds and distribution for the predictive estimations. Both features are needed to establish the foundation for uncertainty quantification analysis. Among various probabilistic machine-learning algorithms, GPR has been widely used for approximating a target function because of its capability of representing complex input and output relationships without predefining a set of basis functions, and predicting a target output with uncertainty quantification. GPR is being employed to various manufacturing data-analytics applications, which necessitates representing this model in a standardized form for easy and rapid employment. In this paper, we present a GPR model and its representation in PMML. Furthermore, we demonstrate a prototype using a real data set in the manufacturing domain. PMID:29202125

Gaussian Process Regression (GPR) Representation in Predictive Model Markup Language (PMML).

PubMed

Park, J; Lechevalier, D; Ak, R; Ferguson, M; Law, K H; Lee, Y-T T; Rachuri, S

2017-01-01

This paper describes Gaussian process regression (GPR) models presented in predictive model markup language (PMML). PMML is an extensible-markup-language (XML) -based standard language used to represent data-mining and predictive analytic models, as well as pre- and post-processed data. The previous PMML version, PMML 4.2, did not provide capabilities for representing probabilistic (stochastic) machine-learning algorithms that are widely used for constructing predictive models taking the associated uncertainties into consideration. The newly released PMML version 4.3, which includes the GPR model, provides new features: confidence bounds and distribution for the predictive estimations. Both features are needed to establish the foundation for uncertainty quantification analysis. Among various probabilistic machine-learning algorithms, GPR has been widely used for approximating a target function because of its capability of representing complex input and output relationships without predefining a set of basis functions, and predicting a target output with uncertainty quantification. GPR is being employed to various manufacturing data-analytics applications, which necessitates representing this model in a standardized form for easy and rapid employment. In this paper, we present a GPR model and its representation in PMML. Furthermore, we demonstrate a prototype using a real data set in the manufacturing domain.

The interval testing procedure: A general framework for inference in functional data analysis.

PubMed

Pini, Alessia; Vantini, Simone

2016-09-01

We introduce in this work the Interval Testing Procedure (ITP), a novel inferential technique for functional data. The procedure can be used to test different functional hypotheses, e.g., distributional equality between two or more functional populations, equality of mean function of a functional population to a reference. ITP involves three steps: (i) the representation of data on a (possibly high-dimensional) functional basis; (ii) the test of each possible set of consecutive basis coefficients; (iii) the computation of the adjusted p-values associated to each basis component, by means of a new strategy here proposed. We define a new type of error control, the interval-wise control of the family wise error rate, particularly suited for functional data. We show that ITP is provided with such a control. A simulation study comparing ITP with other testing procedures is reported. ITP is then applied to the analysis of hemodynamical features involved with cerebral aneurysm pathology. ITP is implemented in the fdatest R package. © 2016, The International Biometric Society.

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

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

Neilson, James R.; McQueen, Tyrel M.

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

DOE PAGES

Neilson, James R.; McQueen, Tyrel M.

2015-09-20

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

Improved hybrid algorithm with Gaussian basis sets and plane waves: First-principles calculations of ethylene adsorption on β-SiC(001)-(3×2)

NASA Astrophysics Data System (ADS)

Wieferink, Jürgen; Krüger, Peter; Pollmann, Johannes

2006-11-01

We present an algorithm for DFT calculations employing Gaussian basis sets for the wave function and a Fourier basis for the potential representation. In particular, a numerically very efficient calculation of the local potential matrix elements and the charge density is described. Special emphasis is placed on the consequences of periodicity and explicit k -vector dependence. The algorithm is tested by comparison with more straightforward ones for the case of adsorption of ethylene on the silicon-rich SiC(001)-(3×2) surface clearly revealing its substantial advantages. A complete self-consistency cycle is speeded up by roughly one order of magnitude since the calculation of matrix elements and of the charge density are accelerated by factors of 10 and 80, respectively, as compared to their straightforward calculation. Our results for C2H4:SiC(001)-(3×2) show that ethylene molecules preferentially adsorb in on-top positions above Si dimers on the substrate surface saturating both dimer dangling bonds per unit cell. In addition, a twist of the molecules around a surface-perpendicular axis is slightly favored energetically similar to the case of a complete monolayer of ethylene adsorbed on the Si(001)-(2×1) surface.

Linking Passive and Active Representation: A Review of the Literature and a Model for Testing the Linkage for Women Representatives.

ERIC Educational Resources Information Center

Robinson, Ted P.; And Others

Most research efforts concerning minority politics have focused on descriptive representation, which emphasizes (1) counting the minority or female persons in office, and (2) explaining representative levels on the basis of political, social and economic determinants. Descriptive representation, however, is passive and focuses on "being something"…

A Cross-Talk between Brain-Damage Patients and Infants on Action and Language

ERIC Educational Resources Information Center

Papeo, Liuba; Hochmann, Jean-Remy

2012-01-01

Sensorimotor representations in the brain encode the sensory and motor aspects of one's own bodily activity. It is highly debated whether sensorimotor representations are the core basis for the representation of action-related knowledge and, in particular, action words, such as verbs. In this review, we will address this question by bringing to…

Neurosemantics, neurons and system theory.

PubMed

Breidbach, Olaf

2007-08-01

Following the concept of internal representations, signal processing in a neuronal system has to be evaluated exclusively based on internal system characteristics. Thus, this approach omits the external observer as a control function for sensory integration. Instead, the configuration of the system and its computational performance are the effects of endogenous factors. Such self-referential operation is due to a strictly local computation in a network and, thereby, computations follow a set of rules that constitute the emergent behaviour of the system. These rules can be shown to correspond to a "logic" that is intrinsic to the system, an idea which provides the basis for neurosemantics.

On the detection of pornographic digital images

NASA Astrophysics Data System (ADS)

Schettini, Raimondo; Brambilla, Carla; Cusano, Claudio; Ciocca, Gianluigi

2003-06-01

The paper addresses the problem of distinguishing between pornographic and non-pornographic photographs, for the design of semantic filters for the web. Both, decision forests of trees built according to CART (Classification And Regression Trees) methodology and Support Vectors Machines (SVM), have been used to perform the classification. The photographs are described by a set of low-level features, features that can be automatically computed simply on gray-level and color representation of the image. The database used in our experiments contained 1500 photographs, 750 of which labeled as pornographic on the basis of the independent judgement of several viewers.

DEVS representation of dynamical systems - Event-based intelligent control. [Discrete Event System Specification

NASA Technical Reports Server (NTRS)

Zeigler, Bernard P.

1989-01-01

It is shown how systems can be advantageously represented as discrete-event models by using DEVS (discrete-event system specification), a set-theoretic formalism. Such DEVS models provide a basis for the design of event-based logic control. In this control paradigm, the controller expects to receive confirming sensor responses to its control commands within definite time windows determined by its DEVS model of the system under control. The event-based contral paradigm is applied in advanced robotic and intelligent automation, showing how classical process control can be readily interfaced with rule-based symbolic reasoning systems.

Spectral resolution of SU(3)-invariant solutions of the Yang-Baxter equation

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

Alishauskas, S.I.; Kulish, P.P.

1986-11-20

The spectral resolution of invariant R-matrices is computed on the basis of solution of the defining equation. Multiple representations in the Clebsch-Gordon series are considered by means of the classifying operator A: a linear combination of known operators of third and fourth degrees in the group generators. The matrix elements of A in a nonorthonormal basis are found. Explicit expressions are presented for the spectral resolutions for a number of representations.

Spectral resolution of SU(3)-invariant solutions of the Yang-Baxter equation

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

Alishavskas, S.I.; Kulish, P.P.

1986-11-01

The spectral resolution of invariant R-matrices is computed on the basis of solution of the defining equation. Multiple representations in the Clebsch-Gordon series are considered by means of the classifying operator A: a linear combination of known operators of third and fourth degrees in the group generators. The matrix elements of A in a nonorthonormal basis are found. Explicit expressions are presented for the spectral resolutions for a number of representations.

A relational approach to durable poverty, inequality and power.

PubMed

Mosse, David

2010-01-01

The article argues for what can be called a 'relational' approach to poverty: one that first views persistent poverty as the consequence of historically developed economic and political relations, and second, that emphasises poverty and inequality as an effect of social categorisation and identity, drawing in particular on the experience of adivasis ("tribals") and dalits ("untouchables") subordinated in Indian society. The approach follows Charles Tilly's Durable Inequality in combining Marxian ideas of exploitation and dispossession with Weberian notions of social closure. The article then draws on the work of Steven Lukes, Pierre Bourdieu and Arjun Appadurai to argue for the need to incorporate a multidimensional conception of power; including not only power as the direct assertion of will but also 'agenda-setting power' that sets the terms in which poverty becomes (or fails to become) politicised, and closely related to power as political representation. This sets the basis for discussion of the politics of poverty and exclusion.

Pneumothorax detection in chest radiographs using local and global texture signatures

NASA Astrophysics Data System (ADS)

Geva, Ofer; Zimmerman-Moreno, Gali; Lieberman, Sivan; Konen, Eli; Greenspan, Hayit

2015-03-01

A novel framework for automatic detection of pneumothorax abnormality in chest radiographs is presented. The suggested method is based on a texture analysis approach combined with supervised learning techniques. The proposed framework consists of two main steps: at first, a texture analysis process is performed for detection of local abnormalities. Labeled image patches are extracted in the texture analysis procedure following which local analysis values are incorporated into a novel global image representation. The global representation is used for training and detection of the abnormality at the image level. The presented global representation is designed based on the distinctive shape of the lung, taking into account the characteristics of typical pneumothorax abnormalities. A supervised learning process was performed on both the local and global data, leading to trained detection system. The system was tested on a dataset of 108 upright chest radiographs. Several state of the art texture feature sets were experimented with (Local Binary Patterns, Maximum Response filters). The optimal configuration yielded sensitivity of 81% with specificity of 87%. The results of the evaluation are promising, establishing the current framework as a basis for additional improvements and extensions.

A unified data representation theory for network visualization, ordering and coarse-graining

PubMed Central

Kovács, István A.; Mizsei, Réka; Csermely, Péter

2015-01-01

Representation of large data sets became a key question of many scientific disciplines in the last decade. Several approaches for network visualization, data ordering and coarse-graining accomplished this goal. However, there was no underlying theoretical framework linking these problems. Here we show an elegant, information theoretic data representation approach as a unified solution of network visualization, data ordering and coarse-graining. The optimal representation is the hardest to distinguish from the original data matrix, measured by the relative entropy. The representation of network nodes as probability distributions provides an efficient visualization method and, in one dimension, an ordering of network nodes and edges. Coarse-grained representations of the input network enable both efficient data compression and hierarchical visualization to achieve high quality representations of larger data sets. Our unified data representation theory will help the analysis of extensive data sets, by revealing the large-scale structure of complex networks in a comprehensible form. PMID:26348923

A method of classification for multisource data in remote sensing based on interval-valued probabilities

NASA Technical Reports Server (NTRS)

Kim, Hakil; Swain, Philip H.

1990-01-01

An axiomatic approach to intervalued (IV) probabilities is presented, where the IV probability is defined by a pair of set-theoretic functions which satisfy some pre-specified axioms. On the basis of this approach representation of statistical evidence and combination of multiple bodies of evidence are emphasized. Although IV probabilities provide an innovative means for the representation and combination of evidential information, they make the decision process rather complicated. It entails more intelligent strategies for making decisions. The development of decision rules over IV probabilities is discussed from the viewpoint of statistical pattern recognition. The proposed method, so called evidential reasoning method, is applied to the ground-cover classification of a multisource data set consisting of Multispectral Scanner (MSS) data, Synthetic Aperture Radar (SAR) data, and digital terrain data such as elevation, slope, and aspect. By treating the data sources separately, the method is able to capture both parametric and nonparametric information and to combine them. Then the method is applied to two separate cases of classifying multiband data obtained by a single sensor. In each case a set of multiple sources is obtained by dividing the dimensionally huge data into smaller and more manageable pieces based on the global statistical correlation information. By a divide-and-combine process, the method is able to utilize more features than the conventional maximum likelihood method.

Continuous modeling of a grain boundary in MgO and its disclination induced grain-boundary migration mechanism

NASA Astrophysics Data System (ADS)

Cordier, P.; Sun, X.; Taupin, V.; Fressengeas, C.

2016-12-01

Grain boundaries (GBs) are thin material layers where the lattice rotates from one orientation to the next one within a few nanometers. Because they treat these layers as infinitely thin interfaces, large-scale polycrystalline representations fail to describe their structure. Conversely, atomistic representations provide a detailed description of the GBs, but their character remains discrete and not prone to coarse-graining procedures. Continuum descriptions based on kinematic and crystal defect fields defined at interatomic scale are appealing because they can provide smooth and thorough descriptions of GBs, recovering in some sense the atomistic description and potentially serving as a basis for coarse-grained polycrystalline representations. In this work, a crossover between atomistic description and continuous representation of a MgO tilt boundary in polycrystals is set-up to model the periodic arrays of structural units by using dislocation and disclination dipole arrays along GBs. The strain, rotation, curvature, disclination and dislocation density fields are determined in the boundary area by using the discrete atomic positions generated by molecular dynamics simulations. Then, this continuous disclination/dislocation model is used as part of the initial conditions in elasto-plastic continuum mechanics simulations to investigate the shear-coupled boundary migration of tilt boundaries. The present study leads to better understanding of the structure and mechanical architecture of grain boundaries.

Neural basis for dynamic updating of object representation in visual working memory.

PubMed

Takahama, Sachiko; Miyauchi, Satoru; Saiki, Jun

2010-02-15

In real world, objects have multiple features and change dynamically. Thus, object representations must satisfy dynamic updating and feature binding. Previous studies have investigated the neural activity of dynamic updating or feature binding alone, but not both simultaneously. We investigated the neural basis of feature-bound object representation in a dynamically updating situation by conducting a multiple object permanence tracking task, which required observers to simultaneously process both the maintenance and dynamic updating of feature-bound objects. Using an event-related design, we separated activities during memory maintenance and change detection. In the search for regions showing selective activation in dynamic updating of feature-bound objects, we identified a network during memory maintenance that was comprised of the inferior precentral sulcus, superior parietal lobule, and middle frontal gyrus. In the change detection period, various prefrontal regions, including the anterior prefrontal cortex, were activated. In updating object representation of dynamically moving objects, the inferior precentral sulcus closely cooperates with a so-called "frontoparietal network", and subregions of the frontoparietal network can be decomposed into those sensitive to spatial updating and feature binding. The anterior prefrontal cortex identifies changes in object representation by comparing memory and perceptual representations rather than maintaining object representations per se, as previously suggested. Copyright 2009 Elsevier Inc. All rights reserved.

Lorenz, Gödel and Penrose: new perspectives on determinism and causality in fundamental physics

NASA Astrophysics Data System (ADS)

Palmer, T. N.

2014-07-01

Despite being known for his pioneering work on chaotic unpredictability, the key discovery at the core of meteorologist Ed Lorenz's work is the link between space-time calculus and state-space fractal geometry. Indeed, properties of Lorenz's fractal invariant set relate space-time calculus to deep areas of mathematics such as Gödel's Incompleteness Theorem. Could such properties also provide new perspectives on deep unsolved issues in fundamental physics? Recent developments in cosmology motivate what is referred to as the 'cosmological invariant set postulate': that the universe ? can be considered a deterministic dynamical system evolving on a causal measure-zero fractal invariant set ? in its state space. Symbolic representations of ? are constructed explicitly based on permutation representations of quaternions. The resulting 'invariant set theory' provides some new perspectives on determinism and causality in fundamental physics. For example, while the cosmological invariant set appears to have a rich enough structure to allow a description of (quantum) probability, its measure-zero character ensures it is sparse enough to prevent invariant set theory being constrained by the Bell inequality (consistent with a partial violation of the so-called measurement independence postulate). The primacy of geometry as embodied in the proposed theory extends the principles underpinning general relativity. As a result, the physical basis for contemporary programmes which apply standard field quantisation to some putative gravitational lagrangian is questioned. Consistent with Penrose's suggestion of a deterministic but non-computable theory of fundamental physics, an alternative 'gravitational theory of the quantum' is proposed based on the geometry of ?, with new perspectives on the problem of black-hole information loss and potential observational consequences for the dark universe.

Wissensstrukturierung im Unterricht: Neuere Forschung zur Wissensreprasentation und ihre Anwendung in der Didaktik (Knowledge Structuring in Instruction: Recent Research on Knowledge Representation and Its Application in the Classroom).

ERIC Educational Resources Information Center

Einsiedler, Wolfgang

1996-01-01

Asks whether theories of knowledge representation provide a basis for the development of theories of knowledge structuring in instruction. Discusses codes of knowledge, surface versus deep structures, semantic networks, and multiple memory systems. Reviews research on teaching, external representation of cognitive structures, hierarchical…

Multiple organ definition in CT using a Bayesian approach for 3D model fitting

NASA Astrophysics Data System (ADS)

Boes, Jennifer L.; Weymouth, Terry E.; Meyer, Charles R.

1995-08-01

Organ definition in computed tomography (CT) is of interest for treatment planning and response monitoring. We present a method for organ definition using a priori information about shape encoded in a set of biometric organ models--specifically for the liver and kidney-- that accurately represents patient population shape information. Each model is generated by averaging surfaces from a learning set of organ shapes previously registered into a standard space defined by a small set of landmarks. The model is placed in a specific patient's data set by identifying these landmarks and using them as the basis for model deformation; this preliminary representation is then iteratively fit to the patient's data based on a Bayesian formulation of the model's priors and CT edge information, yielding a complete organ surface. We demonstrate this technique using a set of fifteen abdominal CT data sets for liver surface definition both before and after the addition of a kidney model to the fitting; we demonstrate the effectiveness of this tool for organ surface definition in this low-contrast domain.

Differential geometry based solvation model II: Lagrangian formulation.

PubMed

Chen, Zhan; Baker, Nathan A; Wei, G W

2011-12-01

Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation models. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The optimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and PB equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of computation, thanks to the equivalence of the Laplace-Beltrami operator in the two representations. The coupled partial differential equations (PDEs) are solved with an iterative procedure to reach a steady state, which delivers desired solvent-solute interface and electrostatic potential for problems of interest. These quantities are utilized to evaluate the solvation free energies and protein-protein binding affinities. A number of computational methods and algorithms are described for the interconversion of Lagrangian and Eulerian representations, and for the solution of the coupled PDE system. The proposed approaches have been extensively validated. We also verify that the mean curvature flow indeed gives rise to the minimal molecular surface and the proposed variational procedure indeed offers minimal total free energy. Solvation analysis and applications are considered for a set of 17 small compounds and a set of 23 proteins. The salt effect on protein-protein binding affinity is investigated with two protein complexes by using the present model. Numerical results are compared to the experimental measurements and to those obtained by using other theoretical methods in the literature. © Springer-Verlag 2011

Differential geometry based solvation model II: Lagrangian formulation

PubMed Central

Chen, Zhan; Baker, Nathan A.; Wei, G. W.

2010-01-01

Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation model. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory (SPT) of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The minimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and Poisson-Boltzmann equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of computation, thanks to the equivalence of the Laplace-Beltrami operator in the two representations. The coupled partial differential equations (PDEs) are solved with an iterative procedure to reach a steady state, which delivers desired solvent-solute interface and electrostatic potential for problems of interest. These quantities are utilized to evaluate the solvation free energies and protein-protein binding affinities. A number of computational methods and algorithms are described for the interconversion of Lagrangian and Eulerian representations, and for the solution of the coupled PDE system. The proposed approaches have been extensively validated. We also verify that the mean curvature flow indeed gives rise to the minimal molecular surface (MMS) and the proposed variational procedure indeed offers minimal total free energy. Solvation analysis and applications are considered for a set of 17 small compounds and a set of 23 proteins. The salt effect on protein-protein binding affinity is investigated with two protein complexes by using the present model. Numerical results are compared to the experimental measurements and to those obtained by using other theoretical methods in the literature. PMID:21279359

Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations

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

Peng, Bo; Kowalski, Karol

The representation and storage of two-electron integral tensors are vital in large- scale applications of accurate electronic structure methods. Low-rank representation and efficient storage strategy of integral tensors can significantly reduce the numerical overhead and consequently time-to-solution of these methods. In this paper, by combining pivoted incomplete Cholesky decomposition (CD) with a follow-up truncated singular vector decomposition (SVD), we develop a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors. A systematic benchmark test on a series of 1-D, 2-D, and 3-D carbon-hydrogen systems demonstrates high efficiency and scalability of the compound two-step decomposition ofmore » the two-electron integral tensor in our implementation. For the size of atomic basis set N_b ranging from ~ 100 up to ~ 2, 000, the observed numerical scaling of our implementation shows O(N_b^{2.5~3}) versus O(N_b^{3~4}) of single CD in most of other implementations. More importantly, this decomposition strategy can significantly reduce the storage requirement of the atomic-orbital (AO) two-electron integral tensor from O(N_b^4) to O(N_b^2 log_{10}(N_b)) with moderate decomposition thresholds. The accuracy tests have been performed using ground- and excited-state formulations of coupled- cluster formalism employing single and double excitations (CCSD) on several bench- mark systems including the C_{60} molecule described by nearly 1,400 basis functions. The results show that the decomposition thresholds can be generally set to 10^{-4} to 10^{-3} to give acceptable compromise between efficiency and accuracy.« less

Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations.

PubMed

Peng, Bo; Kowalski, Karol

2017-09-12

The representation and storage of two-electron integral tensors are vital in large-scale applications of accurate electronic structure methods. Low-rank representation and efficient storage strategy of integral tensors can significantly reduce the numerical overhead and consequently time-to-solution of these methods. In this work, by combining pivoted incomplete Cholesky decomposition (CD) with a follow-up truncated singular vector decomposition (SVD), we develop a decomposition strategy to approximately represent the two-electron integral tensor in terms of low-rank vectors. A systematic benchmark test on a series of 1-D, 2-D, and 3-D carbon-hydrogen systems demonstrates high efficiency and scalability of the compound two-step decomposition of the two-electron integral tensor in our implementation. For the size of the atomic basis set, N b , ranging from ∼100 up to ∼2,000, the observed numerical scaling of our implementation shows [Formula: see text] versus [Formula: see text] cost of performing single CD on the two-electron integral tensor in most of the other implementations. More importantly, this decomposition strategy can significantly reduce the storage requirement of the atomic orbital (AO) two-electron integral tensor from [Formula: see text] to [Formula: see text] with moderate decomposition thresholds. The accuracy tests have been performed using ground- and excited-state formulations of coupled cluster formalism employing single and double excitations (CCSD) on several benchmark systems including the C 60 molecule described by nearly 1,400 basis functions. The results show that the decomposition thresholds can be generally set to 10 -4 to 10 -3 to give acceptable compromise between efficiency and accuracy.

Fixed versus mixed RSA: Explaining visual representations by fixed and mixed feature sets from shallow and deep computational models.

PubMed

Khaligh-Razavi, Seyed-Mahdi; Henriksson, Linda; Kay, Kendrick; Kriegeskorte, Nikolaus

2017-02-01

Studies of the primate visual system have begun to test a wide range of complex computational object-vision models. Realistic models have many parameters, which in practice cannot be fitted using the limited amounts of brain-activity data typically available. Task performance optimization (e.g. using backpropagation to train neural networks) provides major constraints for fitting parameters and discovering nonlinear representational features appropriate for the task (e.g. object classification). Model representations can be compared to brain representations in terms of the representational dissimilarities they predict for an image set. This method, called representational similarity analysis (RSA), enables us to test the representational feature space as is (fixed RSA) or to fit a linear transformation that mixes the nonlinear model features so as to best explain a cortical area's representational space (mixed RSA). Like voxel/population-receptive-field modelling, mixed RSA uses a training set (different stimuli) to fit one weight per model feature and response channel (voxels here), so as to best predict the response profile across images for each response channel. We analysed response patterns elicited by natural images, which were measured with functional magnetic resonance imaging (fMRI). We found that early visual areas were best accounted for by shallow models, such as a Gabor wavelet pyramid (GWP). The GWP model performed similarly with and without mixing, suggesting that the original features already approximated the representational space, obviating the need for mixing. However, a higher ventral-stream visual representation (lateral occipital region) was best explained by the higher layers of a deep convolutional network and mixing of its feature set was essential for this model to explain the representation. We suspect that mixing was essential because the convolutional network had been trained to discriminate a set of 1000 categories, whose frequencies in the training set did not match their frequencies in natural experience or their behavioural importance. The latter factors might determine the representational prominence of semantic dimensions in higher-level ventral-stream areas. Our results demonstrate the benefits of testing both the specific representational hypothesis expressed by a model's original feature space and the hypothesis space generated by linear transformations of that feature space.

Individual differences in long-range time representation.

PubMed

Agostino, Camila S; Caetano, Marcelo S; Balci, Fuat; Claessens, Peter M E; Zana, Yossi

2017-04-01

On the basis of experimental data, long-range time representation has been proposed to follow a highly compressed power function, which has been hypothesized to explain the time inconsistency found in financial discount rate preferences. The aim of this study was to evaluate how well linear and power function models explain empirical data from individual participants tested in different procedural settings. The line paradigm was used in five different procedural variations with 35 adult participants. Data aggregated over the participants showed that fitted linear functions explained more than 98% of the variance in all procedures. A linear regression fit also outperformed a power model fit for the aggregated data. An individual-participant-based analysis showed better fits of a linear model to the data of 14 participants; better fits of a power function with an exponent β > 1 to the data of 12 participants; and better fits of a power function with β < 1 to the data of the remaining nine participants. Of the 35 volunteers, the null hypothesis β = 1 was rejected for 20. The dispersion of the individual β values was approximated well by a normal distribution. These results suggest that, on average, humans perceive long-range time intervals not in a highly compressed, biased manner, but rather in a linear pattern. However, individuals differ considerably in their subjective time scales. This contribution sheds new light on the average and individual psychophysical functions of long-range time representation, and suggests that any attribution of deviation from exponential discount rates in intertemporal choice to the compressed nature of subjective time must entail the characterization of subjective time on an individual-participant basis.

An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

NASA Astrophysics Data System (ADS)

Yu, Hua-Gen

2016-08-01

We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using a multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH4 and H2CO are given, together with a comparison with previous results.

An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion

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

Yu, Hua-Gen, E-mail: hgy@bnl.gov

We report a new full-dimensional variational algorithm to calculate rovibrational spectra of polyatomic molecules using an exact quantum mechanical Hamiltonian. The rovibrational Hamiltonian of system is derived in a set of orthogonal polyspherical coordinates in the body-fixed frame. It is expressed in an explicitly Hermitian form. The Hamiltonian has a universal formulation regardless of the choice of orthogonal polyspherical coordinates and the number of atoms in molecule, which is suitable for developing a general program to study the spectra of many polyatomic systems. An efficient coupled-state approach is also proposed to solve the eigenvalue problem of the Hamiltonian using amore » multi-layer Lanczos iterative diagonalization approach via a set of direct product basis set in three coordinate groups: radial coordinates, angular variables, and overall rotational angles. A simple set of symmetric top rotational functions is used for the overall rotation whereas a potential-optimized discrete variable representation method is employed in radial coordinates. A set of contracted vibrationally diabatic basis functions is adopted in internal angular variables. Those diabatic functions are first computed using a neural network iterative diagonalization method based on a reduced-dimension Hamiltonian but only once. The final rovibrational energies are computed using a modified Lanczos method for a given total angular momentum J, which is usually fast. Two numerical applications to CH{sub 4} and H{sub 2}CO are given, together with a comparison with previous results.« less

The Atom in a Molecule: Implications for Molecular Structure and Properties

DTIC Science & Technology

2016-05-23

unlimited. PA Clearance #16075.” Atomic- Product Representations of Molecules Employ “van der Waals” products of atomic states to represent molecules...representation the electrons “stay home” with each nucleus. Atomic fragment operators are well-defined over product representations. Expectation values of...release; distribution unlimited. PA Clearance #16075.” Hamiltonian Matrix in the Atomic- Product Basis Technical Questions Addressed: J. Chem. Phys

A unified development of several techniques for the representation of random vectors and data sets

NASA Technical Reports Server (NTRS)

Bundick, W. T.

1973-01-01

Linear vector space theory is used to develop a general representation of a set of data vectors or random vectors by linear combinations of orthonormal vectors such that the mean squared error of the representation is minimized. The orthonormal vectors are shown to be the eigenvectors of an operator. The general representation is applied to several specific problems involving the use of the Karhunen-Loeve expansion, principal component analysis, and empirical orthogonal functions; and the common properties of these representations are developed.

Completing the Physical Representation of Quantum Algorithms Provides a Quantitative Explanation of Their Computational Speedup

NASA Astrophysics Data System (ADS)

Castagnoli, Giuseppe

2018-03-01

The usual representation of quantum algorithms, limited to the process of solving the problem, is physically incomplete. We complete it in three steps: (i) extending the representation to the process of setting the problem, (ii) relativizing the extended representation to the problem solver to whom the problem setting must be concealed, and (iii) symmetrizing the relativized representation for time reversal to represent the reversibility of the underlying physical process. The third steps projects the input state of the representation, where the problem solver is completely ignorant of the setting and thus the solution of the problem, on one where she knows half solution (half of the information specifying it when the solution is an unstructured bit string). Completing the physical representation shows that the number of computation steps (oracle queries) required to solve any oracle problem in an optimal quantum way should be that of a classical algorithm endowed with the advanced knowledge of half solution.

P, C and T: Different Properties on the Kinematical Level

NASA Astrophysics Data System (ADS)

Dvoeglazov, Valeriy V.

2018-04-01

We study the discrete symmetries (P,C and T) on the kinematical level within the extended Poincaré Group. On the basis of the Silagadze research, we investigate the question of the definitions of the discrete symmetry operators both on the classical level, and in the secondary-quantization scheme. We study the physical contents within several bases: light-front formulation, helicity basis, angular momentum basis, and so on, on several practical examples. We analize problems in construction of the neutral particles in the the (1/2, 0) + (0, 1/2) representation, the (1, 0) + (0, 1) and the (1/2, 1/2) representations of the Lorentz Group. As well known, the photon has the quantum numbers 1‑, so the (1, 0) + (0, 1) representation of the Lorentz group is relevant to its description. We have ambiguities in the definitions of the corresponding operators P, C; T, which lead to different physical consequences. It appears that the answers are connected with the helicity basis properties, and commutations/anticommutations of the corresponding operators, P, C, T, and C 2, P 2, (CP)2 properties. This contribution is the review paper of my previous work [2, 3].

Synthesis of atmospheric turbulence point spread functions by sparse and redundant representations

NASA Astrophysics Data System (ADS)

Hunt, Bobby R.; Iler, Amber L.; Bailey, Christopher A.; Rucci, Michael A.

2018-02-01

Atmospheric turbulence is a fundamental problem in imaging through long slant ranges, horizontal-range paths, or uplooking astronomical cases through the atmosphere. An essential characterization of atmospheric turbulence is the point spread function (PSF). Turbulence images can be simulated to study basic questions, such as image quality and image restoration, by synthesizing PSFs of desired properties. In this paper, we report on a method to synthesize PSFs of atmospheric turbulence. The method uses recent developments in sparse and redundant representations. From a training set of measured atmospheric PSFs, we construct a dictionary of "basis functions" that characterize the atmospheric turbulence PSFs. A PSF can be synthesized from this dictionary by a properly weighted combination of dictionary elements. We disclose an algorithm to synthesize PSFs from the dictionary. The algorithm can synthesize PSFs in three orders of magnitude less computing time than conventional wave optics propagation methods. The resulting PSFs are also shown to be statistically representative of the turbulence conditions that were used to construct the dictionary.

An evaluation of space time cube representation of spatiotemporal patterns.

PubMed

Kristensson, Per Ola; Dahlbäck, Nils; Anundi, Daniel; Björnstad, Marius; Gillberg, Hanna; Haraldsson, Jonas; Mårtensson, Ingrid; Nordvall, Mathias; Ståhl, Josefine

2009-01-01

Space time cube representation is an information visualization technique where spatiotemporal data points are mapped into a cube. Information visualization researchers have previously argued that space time cube representation is beneficial in revealing complex spatiotemporal patterns in a data set to users. The argument is based on the fact that both time and spatial information are displayed simultaneously to users, an effect difficult to achieve in other representations. However, to our knowledge the actual usefulness of space time cube representation in conveying complex spatiotemporal patterns to users has not been empirically validated. To fill this gap, we report on a between-subjects experiment comparing novice users' error rates and response times when answering a set of questions using either space time cube or a baseline 2D representation. For some simple questions, the error rates were lower when using the baseline representation. For complex questions where the participants needed an overall understanding of the spatiotemporal structure of the data set, the space time cube representation resulted in on average twice as fast response times with no difference in error rates compared to the baseline. These results provide an empirical foundation for the hypothesis that space time cube representation benefits users analyzing complex spatiotemporal patterns.

Model and Algorithm for Substantiating Solutions for Organization of High-Rise Construction Project

NASA Astrophysics Data System (ADS)

Anisimov, Vladimir; Anisimov, Evgeniy; Chernysh, Anatoliy

2018-03-01

In the paper the models and the algorithm for the optimal plan formation for the organization of the material and logistical processes of the high-rise construction project and their financial support are developed. The model is based on the representation of the optimization procedure in the form of a non-linear problem of discrete programming, which consists in minimizing the execution time of a set of interrelated works by a limited number of partially interchangeable performers while limiting the total cost of performing the work. The proposed model and algorithm are the basis for creating specific organization management methodologies for the high-rise construction project.

Adequate representation of charge polarization effects leads to a successful treatment of the CF4 + SiCl4 → CCl4 + SiF4 reaction by density functional theory.

PubMed

Li, Ruifang; Zhao, Yan; Truhlar, Donald G

2011-02-28

Adequate polarization functions reduce the error of density functional theory (DFT) for the heat of reaction for CF(4) + SiCl(4) from ∼9-12 kcal mol(-1) to ∼2-4 kcal mol(-1), and using an improved density functional further reduces it to ∼1 kcal mol(-1). This reaction was previously identified as a stumbling block for DFT, but we show that the problem with the previous calculations was not DFT but rather inadequate basis sets to account for intramolecular charge polarization.

Representation and Exchange of Knowledge as a Basis of Information Processes. Proceedings of the International Research Forum in Information Science (5th, Heidelberg, West Germany, September 5-7, 1983).

ERIC Educational Resources Information Center

Dietschmann, Hans, Ed.

This 22-paper collection addresses a variety of issues related to representation and transfer of knowledge. Individual papers include an explanation of the usefulness of general scientific models versus case-specific approaches and a discussion of different empirical approaches to the general problem of knowledge representation for information…

Coherent States for Kronecker Products of Non Compact Groups: Formulation and Applications

NASA Technical Reports Server (NTRS)

Bambah, Bindu A.; Agarwal, Girish S.

1996-01-01

We introduce and study the properties of a class of coherent states for the group SU(1,1) X SU(1,1) and derive explicit expressions for these using the Clebsch-Gordan algebra for the SU(1,1) group. We restrict ourselves to the discrete series representations of SU(1,1). These are the generalization of the 'Barut Girardello' coherent states to the Kronecker Product of two non-compact groups. The resolution of the identity and the analytic phase space representation of these states is presented. This phase space representation is based on the basis of products of 'pair coherent states' rather than the standard number state canonical basis. We discuss the utility of the resulting 'bi-pair coherent states' in the context of four-mode interactions in quantum optics.

Two dimensional J-matrix approach to quantum scattering

NASA Astrophysics Data System (ADS)

Olumegbon, Ismail Adewale

We present an extension of the J-matrix method of scattering to two dimensions in cylindrical coordinates. In the J-matrix approach we select a zeroth order Hamiltonian, H0, which is exactly solvable in the sense that we select a square integrable basis set that enable us to have an infinite tridiagonal representation for H0. Expanding the wavefunction in this basis makes the wave equation equivalent to a three-term recursion relation for the expansion coefficients. Consequently, finding solutions of the recursion relation is equivalent to solving the original H0 problem (i.e., determining the expansion coefficients of the system's wavefunction). The part of the original potential interaction which cannot be brought to an exact tridiagonal form is cut in an NxN basis space and its matrix elements are computed numerically using Gauss quadrature approach. Hence, this approach embodies powerful tools in the analysis of solutions of the wave equation by exploiting the intimate connection and interplay between tridiagonal matrices and the theory of orthogonal polynomials. In such analysis, one is at liberty to employ a wide range of well established methods and numerical techniques associated with these settings such as quadrature approximation and continued fractions. To demonstrate the utility, usefulness, and accuracy of the extended method we use it to obtain the bound states for an illustrative short range potential problem.

Two dimensional J-matrix approach to quantum scattering

NASA Astrophysics Data System (ADS)

Olumegbon, Ismail Adewale

2013-01-01

We present an extension of the J-matrix method of scattering to two dimensions in cylindrical coordinates. In the J-matrix approach we select a zeroth order Hamiltonian, H0, which is exactly solvable in the sense that we select a square integrable basis set that enable us to have an infinite tridiagonal representation for H0. Expanding the wavefunction in this basis makes the wave equation equivalent to a three-term recursion relation for the expansion coefficients. Consequently, finding solutions of the recursion relation is equivalent to solving the original H0 problem (i.e., determining the expansion coefficients of the system's wavefunction). The part of the original potential interaction which cannot be brought to an exact tridiagonal form is cut in an NxN basis space and its matrix elements are computed numerically using Gauss quadrature approach. Hence, this approach embodies powerful tools in the analysis of solutions of the wave equation by exploiting the intimate connection and interplay between tridiagonal matrices and the theory of orthogonal polynomials. In such analysis, one is at liberty to employ a wide range of well established methods and numerical techniques associated with these settings such as quadrature approximation and continued fractions. To demonstrate the utility, usefulness, and accuracy of the extended method we use it to obtain the bound states for an illustrative short range potential problem.

Extending the granularity of representation and control for the MIL-STD CAIS 1.0 node model

NASA Technical Reports Server (NTRS)

Rogers, Kathy L.

1986-01-01

The Common APSE (Ada 1 Program Support Environment) Interface Set (CAIS) (DoD85) node model provides an excellent baseline for interfaces in a single-host development environment. To encompass the entire spectrum of computing, however, the CAIS model should be extended in four areas. It should provide the interface between the engineering workstation and the host system throughout the entire lifecycle of the system. It should provide a basis for communication and integration functions needed by distributed host environments. It should provide common interfaces for communications mechanisms to and among target processors. It should provide facilities for integration, validation, and verification of test beds extending to distributed systems on geographically separate processors with heterogeneous instruction set architectures (ISAS). Additions to the PROCESS NODE model to extend the CAIS into these four areas are proposed.

Video based object representation and classification using multiple covariance matrices.

PubMed

Zhang, Yurong; Liu, Quan

2017-01-01

Video based object recognition and classification has been widely studied in computer vision and image processing area. One main issue of this task is to develop an effective representation for video. This problem can generally be formulated as image set representation. In this paper, we present a new method called Multiple Covariance Discriminative Learning (MCDL) for image set representation and classification problem. The core idea of MCDL is to represent an image set using multiple covariance matrices with each covariance matrix representing one cluster of images. Firstly, we use the Nonnegative Matrix Factorization (NMF) method to do image clustering within each image set, and then adopt Covariance Discriminative Learning on each cluster (subset) of images. At last, we adopt KLDA and nearest neighborhood classification method for image set classification. Promising experimental results on several datasets show the effectiveness of our MCDL method.

High-order nonlinear susceptibilities of He

NASA Astrophysics Data System (ADS)

Liu, W.-C.; Clark, Charles W.

1996-05-01

High-order nonlinear optical response of noble gases to intense laser radiation is of considerable experimental interest, but is difficult to measure or calculate accurately. We have begun a set of calculations of frequency-dependent nonlinear susceptibilities of He 1s^2, within the framework of Rayleigh-Schrödinger perturbation theory at lowest applicable order, with the goal of providing critically evaluated atomic data for modelling high harmonic generation processes. The atomic Hamiltonian is decomposed in term of Hylleraas coordinates and spherical harmonics using the formalism of Pont and Shakeshaft (M. Pont and R. Shakeshaft, Phy. Rev. A 51), 257 (1995), and the hierarchy of inhomogeneous equations of perturbation theory is solved iteratively. A combination of Hylleraas and Frankowski basis functions is used(J. D. Baker, Master thesis, U. Delaware (1988); J. D. Baker, R. N. Hill, and J. D. Morgan, AIP Conference Proceedings 189) 123(1989); the compact Hylleraas basis provides a highly accurate representation of the ground state wavefunction, whereas the diffuse Frankowski basis functions efficiently reproduce the correct asymptotic structure of the perturbed orbitals.

Analytic model of a multi-electron atom

NASA Astrophysics Data System (ADS)

Skoromnik, O. D.; Feranchuk, I. D.; Leonau, A. U.; Keitel, C. H.

2017-12-01

A fully analytical approximation for the observable characteristics of many-electron atoms is developed via a complete and orthonormal hydrogen-like basis with a single-effective charge parameter for all electrons of a given atom. The basis completeness allows us to employ the secondary-quantized representation for the construction of regular perturbation theory, which includes in a natural way correlation effects, converges fast and enables an effective calculation of the subsequent corrections. The hydrogen-like basis set provides a possibility to perform all summations over intermediate states in closed form, including both the discrete and continuous spectra. This is achieved with the help of the decomposition of the multi-particle Green function in a convolution of single-electronic Coulomb Green functions. We demonstrate that our fully analytical zeroth-order approximation describes the whole spectrum of the system, provides accuracy, which is independent of the number of electrons and is important for applications where the Thomas-Fermi model is still utilized. In addition already in second-order perturbation theory our results become comparable with those via a multi-configuration Hartree-Fock approach.

A case history: from traumatic repetition towards psychic representability.

PubMed

Bichi, Estela L

2008-06-01

This paper is devoted principally to a case history concerning an analytic process extending over a period of almost ten years. The patient is B, who consulted the author after a traumatic episode. Although that was her reason for commencing treatment, a history of previous traumatogenic situations, including a rape during her adolescence, subsequently came to light. The author describes three stages of the treatment, reflected in three different settings in accordance with the work done by both patient and analyst in enabling B to own and work through her infantile and adult traumatic experiences. The process of transformation of traumatic traces lacking psychic representation, which was undertaken by both members of the analytic couple from the beginning of the treatment, was eventually approached in a particular way on the basis of their respective creative capacities, which facilitated the patient's psychic progress towards representability and the possibility of working through the experiences of the past. Much of the challenge of this case involved the analyst's capacity to maintain and at the same time consolidate her analytic posture within her internal setting, while doing her best to overcome any possible misfit (Balint, 1968) between her own technique and the specific complexities of the individual patient. The account illustrates the alternation of phases, at the beginning of the analysis, of remembering and interpretation on the one hand and of the representational void and construction on the other. In the case history proper and in her detailed summing up, the author refers to the place of the analyst during the analytic process, the involvement of her psychic functioning, and the importance of her capacity to work on and make use of her countertransference and self-analytic introspection, with a view to neutralizing any influence that aspects of her 'real person' might have had on the analytic field and on the complex processes taking place within it.

A full-dimensional ab initio potential energy surface and rovibrational energies of the Ar–HF complex

NASA Astrophysics Data System (ADS)

Huang, Jing; Zhou, Yanzi; Xie, Daiqian

2018-04-01

We report a new full-dimensional ab initio potential energy surface for the Ar-HF van der Waals complex at the level of coupled-cluster singles and doubles with noniterative inclusion of connected triples levels [CCSD(T)] using augmented correlation-consistent quintuple-zeta basis set (aV5Z) plus bond functions. Full counterpoise correction was employed to correct the basis-set superposition error. The hypersurface was fitted using artificial neural network method with a root mean square error of 0.1085 cm-1 for more than 8000 ab initio points. The complex was found to prefer a linear Ar-H-F equilibrium structure. The three-dimensional discrete variable representation method and the Lanczos propagation algorithm were then employed to calculate the rovibrational states without separating inter- and intra- molecular nuclear motions. The calculated vibrational energies of Ar-HF differ from the experiment values within about 1 cm-1 on the first four HF vibrational states, and the predicted pure rotational energies on (0000) and (1000) vibrational states are deviated from the observed value by about 1%, which shows the accuracy of our new PES.

Evidence for a Non-Linguistic Distinction between Singular and Plural Sets in Rhesus Monkeys

ERIC Educational Resources Information Center

Barner, David; Wood, Justin; Hauser, Marc; Carey, Susan

2008-01-01

Set representations are explicitly expressed in natural language. For example, many languages distinguish between sets and subsets ("all" vs. "some"), as well as between singular and plural sets ("a cat" vs. "some cats"). Three experiments explored the hypothesis that these representations are language specific, and thus absent from the conceptual…

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.

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.

Ensemble representations: effects of set size and item heterogeneity on average size perception.

PubMed

Marchant, Alexander P; Simons, Daniel J; de Fockert, Jan W

2013-02-01

Observers can accurately perceive and evaluate the statistical properties of a set of objects, forming what is now known as an ensemble representation. The accuracy and speed with which people can judge the mean size of a set of objects have led to the proposal that ensemble representations of average size can be computed in parallel when attention is distributed across the display. Consistent with this idea, judgments of mean size show little or no decrement in accuracy when the number of objects in the set increases. However, the lack of a set size effect might result from the regularity of the item sizes used in previous studies. Here, we replicate these previous findings, but show that judgments of mean set size become less accurate when set size increases and the heterogeneity of the item sizes increases. This pattern can be explained by assuming that average size judgments are computed using a limited capacity sampling strategy, and it does not necessitate an ensemble representation computed in parallel across all items in a display. Copyright © 2012 Elsevier B.V. All rights reserved.

A critical review of the allocentric spatial representation and its neural underpinnings: toward a network-based perspective

PubMed Central

Ekstrom, Arne D.; Arnold, Aiden E. G. F.; Iaria, Giuseppe

2014-01-01

While the widely studied allocentric spatial representation holds a special status in neuroscience research, its exact nature and neural underpinnings continue to be the topic of debate, particularly in humans. Here, based on a review of human behavioral research, we argue that allocentric representations do not provide the kind of map-like, metric representation one might expect based on past theoretical work. Instead, we suggest that almost all tasks used in past studies involve a combination of egocentric and allocentric representation, complicating both the investigation of the cognitive basis of an allocentric representation and the task of identifying a brain region specifically dedicated to it. Indeed, as we discuss in detail, past studies suggest numerous brain regions important to allocentric spatial memory in addition to the hippocampus, including parahippocampal, retrosplenial, and prefrontal cortices. We thus argue that although allocentric computations will often require the hippocampus, particularly those involving extracting details across temporally specific routes, the hippocampus is not necessary for all allocentric computations. We instead suggest that a non-aggregate network process involving multiple interacting brain areas, including hippocampus and extra-hippocampal areas such as parahippocampal, retrosplenial, prefrontal, and parietal cortices, better characterizes the neural basis of spatial representation during navigation. According to this model, an allocentric representation does not emerge from the computations of a single brain region (i.e., hippocampus) nor is it readily decomposable into additive computations performed by separate brain regions. Instead, an allocentric representation emerges from computations partially shared across numerous interacting brain regions. We discuss our non-aggregate network model in light of existing data and provide several key predictions for future experiments. PMID:25346679

Grid and basis adaptive polynomial chaos techniques for sensitivity and uncertainty analysis

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

Perkó, Zoltán, E-mail: Z.Perko@tudelft.nl; Gilli, Luca, E-mail: Gilli@nrg.eu; Lathouwers, Danny, E-mail: D.Lathouwers@tudelft.nl

2014-03-01

The demand for accurate and computationally affordable sensitivity and uncertainty techniques is constantly on the rise and has become especially pressing in the nuclear field with the shift to Best Estimate Plus Uncertainty methodologies in the licensing of nuclear installations. Besides traditional, already well developed methods – such as first order perturbation theory or Monte Carlo sampling – Polynomial Chaos Expansion (PCE) has been given a growing emphasis in recent years due to its simple application and good performance. This paper presents new developments of the research done at TU Delft on such Polynomial Chaos (PC) techniques. Our work ismore » focused on the Non-Intrusive Spectral Projection (NISP) approach and adaptive methods for building the PCE of responses of interest. Recent efforts resulted in a new adaptive sparse grid algorithm designed for estimating the PC coefficients. The algorithm is based on Gerstner's procedure for calculating multi-dimensional integrals but proves to be computationally significantly cheaper, while at the same it retains a similar accuracy as the original method. More importantly the issue of basis adaptivity has been investigated and two techniques have been implemented for constructing the sparse PCE of quantities of interest. Not using the traditional full PC basis set leads to further reduction in computational time since the high order grids necessary for accurately estimating the near zero expansion coefficients of polynomial basis vectors not needed in the PCE can be excluded from the calculation. Moreover the sparse PC representation of the response is easier to handle when used for sensitivity analysis or uncertainty propagation due to the smaller number of basis vectors. The developed grid and basis adaptive methods have been implemented in Matlab as the Fully Adaptive Non-Intrusive Spectral Projection (FANISP) algorithm and were tested on four analytical problems. These show consistent good performance both in terms of the accuracy of the resulting PC representation of quantities and the computational costs associated with constructing the sparse PCE. Basis adaptivity also seems to make the employment of PC techniques possible for problems with a higher number of input parameters (15–20), alleviating a well known limitation of the traditional approach. The prospect of larger scale applicability and the simplicity of implementation makes such adaptive PC algorithms particularly appealing for the sensitivity and uncertainty analysis of complex systems and legacy codes.« less

Indigenous Representation and Alternative Schooling: Prioritising an Epistemology of Relationality

ERIC Educational Resources Information Center

Keddie, Amanda

2014-01-01

This paper draws on a case study of a small alternative Indigenous school in Queensland, Australia. From the perspective of several of the school's Indigenous Elders, the paper foregrounds the significance of group differentiation at the school on the basis of Indigenous representation. However, it also considers how such…

Finite basis representations with nondirect product basis functions having structure similar to that of spherical harmonics.

PubMed

Czakó, Gábor; Szalay, Viktor; Császár, Attila G

2006-01-07

The currently most efficient finite basis representation (FBR) method [Corey et al., in Numerical Grid Methods and Their Applications to Schrodinger Equation, NATO ASI Series C, edited by C. Cerjan (Kluwer Academic, New York, 1993), Vol. 412, p. 1; Bramley et al., J. Chem. Phys. 100, 6175 (1994)] designed specifically to deal with nondirect product bases of structures phi(n) (l)(s)f(l)(u), chi(m) (l)(t)phi(n) (l)(s)f(l)(u), etc., employs very special l-independent grids and results in a symmetric FBR. While highly efficient, this method is not general enough. For instance, it cannot deal with nondirect product bases of the above structure efficiently if the functions phi(n) (l)(s) [and/or chi(m) (l)(t)] are discrete variable representation (DVR) functions of the infinite type. The optimal-generalized FBR(DVR) method [V. Szalay, J. Chem. Phys. 105, 6940 (1996)] is designed to deal with general, i.e., direct and/or nondirect product, bases and grids. This robust method, however, is too general, and its direct application can result in inefficient computer codes [Czako et al., J. Chem. Phys. 122, 024101 (2005)]. It is shown here how the optimal-generalized FBR method can be simplified in the case of nondirect product bases of structures phi(n) (l)(s)f(l)(u), chi(m) (l)(t)phi(n) (l)(s)f(l)(u), etc. As a result the commonly used symmetric FBR is recovered and simplified nonsymmetric FBRs utilizing very special l-dependent grids are obtained. The nonsymmetric FBRs are more general than the symmetric FBR in that they can be employed efficiently even when the functions phi(n) (l)(s) [and/or chi(m) (l)(t)] are DVR functions of the infinite type. Arithmetic operation counts and a simple numerical example presented show unambiguously that setting up the Hamiltonian matrix requires significantly less computer time when using one of the proposed nonsymmetric FBRs than that in the symmetric FBR. Therefore, application of this nonsymmetric FBR is more efficient than that of the symmetric FBR when one wants to diagonalize the Hamiltonian matrix either by a direct or via a basis-set contraction method. Enormous decrease of computer time can be achieved, with respect to a direct application of the optimal-generalized FBR, by employing one of the simplified nonsymmetric FBRs as is demonstrated in noniterative calculations of the low-lying vibrational energy levels of the H3+ molecular ion. The arithmetic operation counts of the Hamiltonian matrix vector products and the properties of a recently developed diagonalization method [Andreozzi et al., J. Phys. A Math. Gen. 35, L61 (2002)] suggest that the nonsymmetric FBR applied along with this particular diagonalization method is suitable to large scale iterative calculations. Whether or not the nonsymmetric FBR is competitive with the symmetric FBR in large-scale iterative calculations still has to be investigated numerically.

Towards topological quantum computer

NASA Astrophysics Data System (ADS)

Melnikov, D.; Mironov, A.; Mironov, S.; Morozov, A.; Morozov, An.

2018-01-01

Quantum R-matrices, the entangling deformations of non-entangling (classical) permutations, provide a distinguished basis in the space of unitary evolutions and, consequently, a natural choice for a minimal set of basic operations (universal gates) for quantum computation. Yet they play a special role in group theory, integrable systems and modern theory of non-perturbative calculations in quantum field and string theory. Despite recent developments in those fields the idea of topological quantum computing and use of R-matrices, in particular, practically reduce to reinterpretation of standard sets of quantum gates, and subsequently algorithms, in terms of available topological ones. In this paper we summarize a modern view on quantum R-matrix calculus and propose to look at the R-matrices acting in the space of irreducible representations, which are unitary for the real-valued couplings in Chern-Simons theory, as the fundamental set of universal gates for topological quantum computer. Such an approach calls for a more thorough investigation of the relation between topological invariants of knots and quantum algorithms.

Convergence to equilibrium under a random Hamiltonian.

PubMed

Brandão, Fernando G S L; Ćwikliński, Piotr; Horodecki, Michał; Horodecki, Paweł; Korbicz, Jarosław K; Mozrzymas, Marek

2012-09-01

We analyze equilibration times of subsystems of a larger system under a random total Hamiltonian, in which the basis of the Hamiltonian is drawn from the Haar measure. We obtain that the time of equilibration is of the order of the inverse of the arithmetic average of the Bohr frequencies. To compute the average over a random basis, we compute the inverse of a matrix of overlaps of operators which permute four systems. We first obtain results on such a matrix for a representation of an arbitrary finite group and then apply it to the particular representation of the permutation group under consideration.

Convergence to equilibrium under a random Hamiltonian

NASA Astrophysics Data System (ADS)

Brandão, Fernando G. S. L.; Ćwikliński, Piotr; Horodecki, Michał; Horodecki, Paweł; Korbicz, Jarosław K.; Mozrzymas, Marek

2012-09-01

We analyze equilibration times of subsystems of a larger system under a random total Hamiltonian, in which the basis of the Hamiltonian is drawn from the Haar measure. We obtain that the time of equilibration is of the order of the inverse of the arithmetic average of the Bohr frequencies. To compute the average over a random basis, we compute the inverse of a matrix of overlaps of operators which permute four systems. We first obtain results on such a matrix for a representation of an arbitrary finite group and then apply it to the particular representation of the permutation group under consideration.

Reduced Wiener Chaos representation of random fields via basis adaptation and projection

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

Tsilifis, Panagiotis, E-mail: tsilifis@usc.edu; Department of Civil Engineering, University of Southern California, Los Angeles, CA 90089; Ghanem, Roger G., E-mail: ghanem@usc.edu

2017-07-15

A new characterization of random fields appearing in physical models is presented that is based on their well-known Homogeneous Chaos expansions. We take advantage of the adaptation capabilities of these expansions where the core idea is to rotate the basis of the underlying Gaussian Hilbert space, in order to achieve reduced functional representations that concentrate the induced probability measure in a lower dimensional subspace. For a smooth family of rotations along the domain of interest, the uncorrelated Gaussian inputs are transformed into a Gaussian process, thus introducing a mesoscale that captures intermediate characteristics of the quantity of interest.

Reduced Wiener Chaos representation of random fields via basis adaptation and projection

NASA Astrophysics Data System (ADS)

Tsilifis, Panagiotis; Ghanem, Roger G.

2017-07-01

A new characterization of random fields appearing in physical models is presented that is based on their well-known Homogeneous Chaos expansions. We take advantage of the adaptation capabilities of these expansions where the core idea is to rotate the basis of the underlying Gaussian Hilbert space, in order to achieve reduced functional representations that concentrate the induced probability measure in a lower dimensional subspace. For a smooth family of rotations along the domain of interest, the uncorrelated Gaussian inputs are transformed into a Gaussian process, thus introducing a mesoscale that captures intermediate characteristics of the quantity of interest.

Distributed Compressive Sensing

DTIC Science & Technology

2009-01-01

example, smooth signals are sparse in the Fourier basis, and piecewise smooth signals are sparse in a wavelet basis [8]; the commercial coding standards MP3...including wavelets [8], Gabor bases [8], curvelets [35], etc., are widely used for representation and compression of natural signals, images, and...spikes and the sine waves of a Fourier basis, or the Fourier basis and wavelets . Signals that are sparsely represented in frames or unions of bases can

Attractor Dynamics and Semantic Neighborhood Density: Processing Is Slowed by Near Neighbors and Speeded by Distant Neighbors

ERIC Educational Resources Information Center

Mirman, Daniel; Magnuson, James S.

2008-01-01

The authors investigated semantic neighborhood density effects on visual word processing to examine the dynamics of activation and competition among semantic representations. Experiment 1 validated feature-based semantic representations as a basis for computing semantic neighborhood density and suggested that near and distant neighbors have…

Forming Tool Use Representations: A Neurophysiological Investigation into Tool Exposure

ERIC Educational Resources Information Center

Mizelle, John Christopher; Tang, Teresa; Pirouz, Nikta; Wheaton, Lewis A.

2011-01-01

Prior work has identified a common left parietofrontal network for storage of tool-related information for various tasks. How these representations become established within this network on the basis of different modes of exposure is unclear. Here, healthy subjects engaged in physical practice (direct exposure) with familiar and unfamiliar tools.…

The Representation of Bilingual Mental Lexicon and English Vocabulary Acquisition

ERIC Educational Resources Information Center

Ying, Zhang

2017-01-01

This paper provides an overview of the theories on the organization and development of L1 mental lexicon and the representation mode of bilingual mental lexicon. It analyzes the structure and characteristics of Chinese EFL learners and their problems in English vocabulary acquisition. On the basis of this, it suggests that English vocabulary…

Kac determinant and singular vector of the level N representation of Ding-Iohara-Miki algebra

NASA Astrophysics Data System (ADS)

Ohkubo, Yusuke

2018-05-01

In this paper, we obtain the formula for the Kac determinant of the algebra arising from the level N representation of the Ding-Iohara-Miki algebra. It is also discovered that its singular vectors correspond to generalized Macdonald functions (the q-deformed version of the AFLT basis).

Neural representation of consciously imperceptible speech sound differences.

PubMed

Allen, J; Kraus, N; Bradlow, A

2000-10-01

The concept of subliminal perception has been a subject of interest and controversy for decades. Of interest in the present investigation was whether a neurophysiologic index of stimulus change could be elicited to speech sound contrasts that were consciously indiscriminable. The stimuli were chosen on the basis of each individual subject's discrimination threshold. The speech stimuli (which varied along an F3 onset frequency continuum from /da/ to /ga/) were synthesized so that the acoustical properties of the stimuli could be tightly controlled. Subthreshold and suprathreshold stimuli were chosen on the basis of behavioral ability demonstrated during psychophysical testing. A significant neural representation of stimulus change, reflected by the mismatch negativity response, was obtained in all but 1 subject in response to subthreshold stimuli. Grand average responses differed significantly from responses obtained in a control condition consisting of physiologic responses elicited by physically identical stimuli. Furthermore, responses to suprathreshold stimuli (close to threshold) did not differ significantly from subthreshold responses with respect to latency, amplitude, or area. These results suggest that neural representation of consciously imperceptible stimulus differences occurs and that this representation occurs at a preattentive level.

Spatial versus Tree Representations of Proximity Data.

ERIC Educational Resources Information Center

Pruzansky, Sandra; And Others

1982-01-01

Two-dimensional euclidean planes and additive trees are two of the most common representations of proximity data for multidimensional scaling. Guidelines for comparing these representations and discovering properties that could help identify which representation is more appropriate for a given data set are presented. (Author/JKS)

Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure

NASA Astrophysics Data System (ADS)

Joubert-Doriol, Loïc; Izmaylov, Artur F.

2018-03-01

A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new approach is the elimination of any global or local model representation of electronic potential energy surfaces; instead, the electron-nuclear interaction is treated explicitly using the Gaussian integration. As a result, the new scheme does not introduce any uncontrolled approximations. The employed variational principle ensures the energy conservation and leaves the number of electronic and nuclear basis functions as the only parameter determining the accuracy. To assess performance of the approach, a model with two electronic and two nuclear spacial degrees of freedom containing conical intersections between potential energy surfaces has been considered. Dynamical features associated with nonadiabatic transitions and nontrivial geometric (or Berry) phases were successfully reproduced within a limited basis expansion.

Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limit

NASA Astrophysics Data System (ADS)

Lee, Hee-Seung; Tuckerman, Mark E.

2007-04-01

Dynamical properties of liquid water were studied using Car-Parrinello [Phys. Rev. Lett. 55, 2471 (1985)] ab initio molecular dynamics (AIMD) simulations within the Kohn-Sham (KS) density functional theory employing the Becke-Lee-Yang-Parr exchange-correlation functional for the electronic structure. The KS orbitals were expanded in a discrete variable representation basis set, wherein the complete basis set limit can be easily reached and which, therefore, provides complete convergence of ionic forces. In order to minimize possible nonergodic behavior of the simulated water system in a constant energy (NVE) ensemble, a long equilibration run (30ps) preceded a 60ps long production run. The temperature drift during the entire 60ps trajectory was found to be minimal. The diffusion coefficient [0.055Å2/ps] obtained from the present work for 32 D2O molecules is a factor of 4 smaller than the most up to date experimental value, but significantly larger than those of other recent AIMD studies. Adjusting the experimental result so as to match the finite-sized system used in the present study brings the comparison between theory and experiment to within a factor of 3. More importantly, the system is not observed to become "glassy" as has been reported in previous AIMD studies. The computed infrared spectrum is in good agreement with experimental data, especially in the low frequency regime where the translational and librational motions of water are manifested. The long simulation length also made it possible to perform detailed studies of hydrogen bond dynamics. The relaxation dynamics of hydrogen bonds observed in the present AIMD simulation is slower than those of popular force fields, such as the TIP4P potential, but comparable to that of the TIP5P potential.

Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limit.

PubMed

Lee, Hee-Seung; Tuckerman, Mark E

2007-04-28

Dynamical properties of liquid water were studied using Car-Parrinello [Phys. Rev. Lett. 55, 2471 (1985)] ab initio molecular dynamics (AIMD) simulations within the Kohn-Sham (KS) density functional theory employing the Becke-Lee-Yang-Parr exchange-correlation functional for the electronic structure. The KS orbitals were expanded in a discrete variable representation basis set, wherein the complete basis set limit can be easily reached and which, therefore, provides complete convergence of ionic forces. In order to minimize possible nonergodic behavior of the simulated water system in a constant energy (NVE) ensemble, a long equilibration run (30 ps) preceded a 60 ps long production run. The temperature drift during the entire 60 ps trajectory was found to be minimal. The diffusion coefficient [0.055 A2/ps] obtained from the present work for 32 D2O molecules is a factor of 4 smaller than the most up to date experimental value, but significantly larger than those of other recent AIMD studies. Adjusting the experimental result so as to match the finite-sized system used in the present study brings the comparison between theory and experiment to within a factor of 3. More importantly, the system is not observed to become "glassy" as has been reported in previous AIMD studies. The computed infrared spectrum is in good agreement with experimental data, especially in the low frequency regime where the translational and librational motions of water are manifested. The long simulation length also made it possible to perform detailed studies of hydrogen bond dynamics. The relaxation dynamics of hydrogen bonds observed in the present AIMD simulation is slower than those of popular force fields, such as the TIP4P potential, but comparable to that of the TIP5P potential.

Ab initio studies of the Rg–NO{sup +}(X{sup 1}Σ{sup +}) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe)

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

Orek, Cahit; Bulut, Niyazi, E-mail: jklos@umd.edu, E-mail: francois.lique@univ-lehavre.fr, E-mail: bulut-niyazi@yahoo.com; Kłos, Jacek, E-mail: jklos@umd.edu, E-mail: francois.lique@univ-lehavre.fr, E-mail: bulut-niyazi@yahoo.com

2016-05-28

We used the explicitly correlated variant of the coupled clusters method with single, double, and noniterative triple excitations [CCSD(T)-F12] to compute two-dimensional potential energy surfaces of van der Waals complexes formed by rare gas atoms (Rg) and NO{sup +}(X{sup 1}Σ{sup +}) cations. We used the correlation-consistent, triple-zeta (cc-pVTZ-F12) atomic basis sets, and for Kr and Xe rare gases, we employed corresponding pseudopotential cc-pVTZ-PP-F12 atomic basis sets. These basis sets were additionally augmented with mid-bond functions. The complexes are all of skewed T-shape type with Rg atom being closer to the N-side. Using analytical representation of the potentials, we have estimatedmore » zero-point energy corrected dissociation energies from anharmonic calculations with BOUND program and also from the harmonic approximation. The binding energies increase with the polarization of the Rg atom in series from He to Xe and are 196 cm{sup −1}, 360 cm{sup −1}, 1024 cm{sup −1}, 1434 cm{sup −1}, and 2141 cm{sup −1}, respectively. Their corresponding dissociation energies are 132 cm{sup −1}, 300 cm{sup −1}, 927 cm{sup −1}, 1320 cm{sup −1}, and 1994 cm{sup −1} for the complexes with He to Xe, respectively. We find good agreement with previous theoretical and experimental results. The harmonic vibrational frequencies were calculated for the bending and stretching modes of the Rg–NO{sup +} complexes.« less

A conceptual care model for individualized care approach in cardiac rehabilitation--combining both illness representation and self-efficacy.

PubMed

Lau-Walker, Margaret

2006-02-01

This paper analyses the two prominent psychological theories of patient response--illness representation and self-efficacy--and explore the possibilities of the development of a conceptual individualized care model that would make use of both theories. Analysis of the literature established common themes that were used as the basis to form a conceptual framework intended to assist in the joint application of these theories to therapeutic settings. Both theories emphasize personal experience, pre-construction of self, individual response to illness and treatment, and that the patients' beliefs are more influential in their recovery than the severity of the illness. Where the theories are most divergent is their application to therapeutic interventions, which reflects the different sources of influence that each theory emphasizes. Based on their similarities and differences it is possible to integrate the two theories into a conceptual care model. The Interactive Care Model combines both theories of patient response and provides an explicit framework for further research into the design of effective therapeutic interventions in rehabilitation care.

Twofold symmetries of the pure gravity action

DOE PAGES

Cheung, Clifford; Remmen, Grant N.

2017-01-25

Here, we recast the action of pure gravity into a form that is invariant under a twofold Lorentz symmetry. To derive this representation, we construct a general parameterization of all theories equivalent to the Einstein-Hilbert action up to a local field redefinition and gauge fixing. We then exploit this freedom to eliminate all interactions except those exhibiting two sets of independently contracted Lorentz indices. The resulting action is local, remarkably simple, and naturally expressed in a field basis analogous to the exponential parameterization of the nonlinear sigma model. The space of twofold Lorentz invariant field redefinitions then generates an infinitemore » class of equivalent representations. By construction, all off-shell Feynman diagrams are twofold Lorentz invariant while all on-shell tree amplitudes are automatically twofold gauge invariant. We extend our results to curved spacetime and calculate the analogue of the Einstein equations. Finally, while these twofold invariances are hidden in the canonical approach of graviton perturbation theory, they are naturally expected given the double copy relations for scattering amplitudes in gauge theory and gravity.« less

Twofold symmetries of the pure gravity action

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

Cheung, Clifford; Remmen, Grant N.

Here, we recast the action of pure gravity into a form that is invariant under a twofold Lorentz symmetry. To derive this representation, we construct a general parameterization of all theories equivalent to the Einstein-Hilbert action up to a local field redefinition and gauge fixing. We then exploit this freedom to eliminate all interactions except those exhibiting two sets of independently contracted Lorentz indices. The resulting action is local, remarkably simple, and naturally expressed in a field basis analogous to the exponential parameterization of the nonlinear sigma model. The space of twofold Lorentz invariant field redefinitions then generates an infinitemore » class of equivalent representations. By construction, all off-shell Feynman diagrams are twofold Lorentz invariant while all on-shell tree amplitudes are automatically twofold gauge invariant. We extend our results to curved spacetime and calculate the analogue of the Einstein equations. Finally, while these twofold invariances are hidden in the canonical approach of graviton perturbation theory, they are naturally expected given the double copy relations for scattering amplitudes in gauge theory and gravity.« less

How task demands shape brain responses to visual food cues.

PubMed

Pohl, Tanja Maria; Tempelmann, Claus; Noesselt, Toemme

2017-06-01

Several previous imaging studies have aimed at identifying the neural basis of visual food cue processing in humans. However, there is little consistency of the functional magnetic resonance imaging (fMRI) results across studies. Here, we tested the hypothesis that this variability across studies might - at least in part - be caused by the different tasks employed. In particular, we assessed directly the influence of task set on brain responses to food stimuli with fMRI using two tasks (colour vs. edibility judgement, between-subjects design). When participants judged colour, the left insula, the left inferior parietal lobule, occipital areas, the left orbitofrontal cortex and other frontal areas expressed enhanced fMRI responses to food relative to non-food pictures. However, when judging edibility, enhanced fMRI responses to food pictures were observed in the superior and middle frontal gyrus and in medial frontal areas including the pregenual anterior cingulate cortex and ventromedial prefrontal cortex. This pattern of results indicates that task sets can significantly alter the neural underpinnings of food cue processing. We propose that judging low-level visual stimulus characteristics - such as colour - triggers stimulus-related representations in the visual and even in gustatory cortex (insula), whereas discriminating abstract stimulus categories activates higher order representations in both the anterior cingulate and prefrontal cortex. Hum Brain Mapp 38:2897-2912, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Experience-Driven Formation of Parts-Based Representations in a Model of Layered Visual Memory

PubMed Central

Jitsev, Jenia; von der Malsburg, Christoph

2009-01-01

Growing neuropsychological and neurophysiological evidence suggests that the visual cortex uses parts-based representations to encode, store and retrieve relevant objects. In such a scheme, objects are represented as a set of spatially distributed local features, or parts, arranged in stereotypical fashion. To encode the local appearance and to represent the relations between the constituent parts, there has to be an appropriate memory structure formed by previous experience with visual objects. Here, we propose a model how a hierarchical memory structure supporting efficient storage and rapid recall of parts-based representations can be established by an experience-driven process of self-organization. The process is based on the collaboration of slow bidirectional synaptic plasticity and homeostatic unit activity regulation, both running at the top of fast activity dynamics with winner-take-all character modulated by an oscillatory rhythm. These neural mechanisms lay down the basis for cooperation and competition between the distributed units and their synaptic connections. Choosing human face recognition as a test task, we show that, under the condition of open-ended, unsupervised incremental learning, the system is able to form memory traces for individual faces in a parts-based fashion. On a lower memory layer the synaptic structure is developed to represent local facial features and their interrelations, while the identities of different persons are captured explicitly on a higher layer. An additional property of the resulting representations is the sparseness of both the activity during the recall and the synaptic patterns comprising the memory traces. PMID:19862345

Sensing the earthquake

NASA Astrophysics Data System (ADS)

Bichisao, Marta; Stallone, Angela

2017-04-01

Making science visual plays a crucial role in the process of building knowledge. In this view, art can considerably facilitate the representation of the scientific content, by offering a different perspective on how a specific problem could be approached. Here we explore the possibility of presenting the earthquake process through visual dance. From a choreographer's point of view, the focus is always on the dynamic relationships between moving objects. The observed spatial patterns (coincidences, repetitions, double and rhythmic configurations) suggest how objects organize themselves in the environment and what are the principles underlying that organization. The identified set of rules is then implemented as a basis for the creation of a complex rhythmic and visual dance system. Recently, scientists have turned seismic waves into sound and animations, introducing the possibility of "feeling" the earthquakes. We try to implement these results into a choreographic model with the aim to convert earthquake sound to a visual dance system, which could return a transmedia representation of the earthquake process. In particular, we focus on a possible method to translate and transfer the metric language of seismic sound and animations into body language. The objective is to involve the audience into a multisensory exploration of the earthquake phenomenon, through the stimulation of the hearing, eyesight and perception of the movements (neuromotor system). In essence, the main goal of this work is to develop a method for a simultaneous visual and auditory representation of a seismic event by means of a structured choreographic model. This artistic representation could provide an original entryway into the physics of earthquakes.

Host genetic determinants of microbiota-dependent nutrition revealed by genome-wide analysis of Drosophila melanogaster

PubMed Central

Dobson, Adam J.; Chaston, John M.; Newell, Peter D.; Donahue, Leanne; Hermann, Sara L.; Sannino, David R.; Westmiller, Stephanie; Wong, Adam C.-N.; Clark, Andrew G.; Lazzaro, Brian P.; Douglas, Angela E.

2015-01-01

Animals bear communities of gut microorganisms with substantial effects on animal nutrition, but the host genetic basis of these effects is unknown. Here, we use Drosophila to demonstrate substantial among-genotype variation in the effects of eliminating the gut microbiota on five host nutritional indices (weight, and protein, lipid, glucose and glycogen contents); this includes variation in both the magnitude and direction of microbiota-dependent effects. Genome-wide associations to identify the genetic basis of the microbiota-dependent variation reveal polymorphisms in largely non-overlapping sets of genes associated with variation in the nutritional traits, including strong representation of conserved genes functioning in signaling. Key genes identified by the GWA study are validated by loss-of-function mutations that altered microbiota-dependent nutritional effects. We conclude that the microbiota interacts with the animal at multiple points in the signaling and regulatory networks that determine animal nutrition. These interactions with the microbiota are likely conserved across animals, including humans. PMID:25692519

A Distributed, Developmental Model of Word Recognition and Naming

DTIC Science & Technology

1989-07-14

reading and clues to their neurophysiological bases (Patterson, M. Coltheart & Marshall, 1986). Our model provides the basis for an account of some aspects...is that distributed representations provide a basis for making lexical decisions; moreover, the model provides an enlightening account of some

The Prosodic Basis of the Tiberian Hebrew System of Accents.

ERIC Educational Resources Information Center

Dresher, Bezalel Elan

1994-01-01

It is argued that the Tiberian system of accents that annotate the text of the Hebrew Bible has a prosodic basis. Tiberian representation can best be understood by integrating results of phonological, phonetic, and psycholinguistic research on prosodic structure. (93 references) (Author/LB)

Parental Socioeconomic Status and the Neural Basis of Arithmetic: Differential Relations to Verbal and Visuo-Spatial Representations

ERIC Educational Resources Information Center

Demir, Özlem Ece; Prado, Jérôme; Booth, James R.

2015-01-01

We examined the relation of parental socioeconomic status (SES) to the neural bases of subtraction in school-age children (9- to 12-year-olds). We independently localized brain regions subserving verbal versus visuo-spatial representations to determine whether the parental SES-related differences in children's reliance on these neural…

Representation and Analysis of Chemistry Core Ideas in Science Education Standards between China and the United States

ERIC Educational Resources Information Center

Wan, Yanlan; Bi, Hualin

2016-01-01

Chemistry core ideas play an important role in students' chemistry learning. On the basis of the representations of chemistry core ideas about "substances" and "processes" in the Chinese Chemistry Curriculum Standards (CCCS) and the U.S. Next Generation Science Standards (NGSS), we conduct a critical comparison of chemistry…

(Re)Presentations of Islam in Albanian History Textbooks from 1990 to 2013

ERIC Educational Resources Information Center

Sulstarova, Enis

2017-01-01

This article investigates the role of Islam in representations of the self and the other in the contemporary Albanian national discourse, on the basis of an analysis of history textbooks published in postcommunist Albania between 1990 and 2013, focusing specifcally on texts used in pre-university education. Even after the dissolution of the…

Red Onions, "Elodea," or Decalcified Chicken Eggs? Selecting & Sequencing Representations for Teaching Diffusion & Osmosis

ERIC Educational Resources Information Center

Lankford, Deanna; Friedrichsen, Patricia

2012-01-01

Diffusion and osmosis are important biological concepts that students often struggle to understand. These are important concepts because they are the basis for many complex biological processes, such as photosynthesis and cellular respiration. We examine a wide variety of representations used by experienced teachers to teach diffusion and osmosis.…

Attention during natural vision warps semantic representation across the human brain.

PubMed

Çukur, Tolga; Nishimoto, Shinji; Huth, Alexander G; Gallant, Jack L

2013-06-01

Little is known about how attention changes the cortical representation of sensory information in humans. On the basis of neurophysiological evidence, we hypothesized that attention causes tuning changes to expand the representation of attended stimuli at the cost of unattended stimuli. To investigate this issue, we used functional magnetic resonance imaging to measure how semantic representation changed during visual search for different object categories in natural movies. We found that many voxels across occipito-temporal and fronto-parietal cortex shifted their tuning toward the attended category. These tuning shifts expanded the representation of the attended category and of semantically related, but unattended, categories, and compressed the representation of categories that were semantically dissimilar to the target. Attentional warping of semantic representation occurred even when the attended category was not present in the movie; thus, the effect was not a target-detection artifact. These results suggest that attention dynamically alters visual representation to optimize processing of behaviorally relevant objects during natural vision.

Numerical integration techniques for curved-element discretizations of molecule-solvent interfaces.

PubMed

Bardhan, Jaydeep P; Altman, Michael D; Willis, David J; Lippow, Shaun M; Tidor, Bruce; White, Jacob K

2007-07-07

Surface formulations of biophysical modeling problems offer attractive theoretical and computational properties. Numerical simulations based on these formulations usually begin with discretization of the surface under consideration; often, the surface is curved, possessing complicated structure and possibly singularities. Numerical simulations commonly are based on approximate, rather than exact, discretizations of these surfaces. To assess the strength of the dependence of simulation accuracy on the fidelity of surface representation, here methods were developed to model several important surface formulations using exact surface discretizations. Following and refining Zauhar's work [J. Comput.-Aided Mol. Des. 9, 149 (1995)], two classes of curved elements were defined that can exactly discretize the van der Waals, solvent-accessible, and solvent-excluded (molecular) surfaces. Numerical integration techniques are presented that can accurately evaluate nonsingular and singular integrals over these curved surfaces. After validating the exactness of the surface discretizations and demonstrating the correctness of the presented integration methods, a set of calculations are presented that compare the accuracy of approximate, planar-triangle-based discretizations and exact, curved-element-based simulations of surface-generalized-Born (sGB), surface-continuum van der Waals (scvdW), and boundary-element method (BEM) electrostatics problems. Results demonstrate that continuum electrostatic calculations with BEM using curved elements, piecewise-constant basis functions, and centroid collocation are nearly ten times more accurate than planar-triangle BEM for basis sets of comparable size. The sGB and scvdW calculations give exceptional accuracy even for the coarsest obtainable discretized surfaces. The extra accuracy is attributed to the exact representation of the solute-solvent interface; in contrast, commonly used planar-triangle discretizations can only offer improved approximations with increasing discretization and associated increases in computational resources. The results clearly demonstrate that the methods for approximate integration on an exact geometry are far more accurate than exact integration on an approximate geometry. A MATLAB implementation of the presented integration methods and sample data files containing curved-element discretizations of several small molecules are available online as supplemental material.

Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory.

PubMed

Maradzike, Elvis; Gidofalvi, Gergely; Turney, Justin M; Schaefer, Henry F; DePrince, A Eugene

2017-09-12

Analytic energy gradients are presented for a variational two-electron reduced-density-matrix (2-RDM)-driven complete active space self-consistent field (CASSCF) method. The active-space 2-RDM is determined using a semidefinite programing (SDP) algorithm built upon an augmented Lagrangian formalism. Expressions for analytic gradients are simplified by the fact that the Lagrangian is stationary with respect to variations in both the primal and the dual solutions to the SDP problem. Orbital response contributions to the gradient are identical to those that arise in conventional CASSCF methods in which the electronic structure of the active space is described by a full configuration interaction (CI) wave function. We explore the relative performance of variational 2-RDM (v2RDM)- and CI-driven CASSCF for the equilibrium geometries of 20 small molecules. When enforcing two-particle N-representability conditions, full-valence v2RDM-CASSCF-optimized bond lengths display a mean unsigned error of 0.0060 Å and a maximum unsigned error of 0.0265 Å, relative to those obtained from full-valence CI-CASSCF. When enforcing partial three-particle N-representability conditions, the mean and maximum unsigned errors are reduced to only 0.0006 and 0.0054 Å, respectively. For these same molecules, full-valence v2RDM-CASSCF bond lengths computed in the cc-pVQZ basis set deviate from experimentally determined ones on average by 0.017 and 0.011 Å when enforcing two- and three-particle conditions, respectively, whereas CI-CASSCF displays an average deviation of 0.010 Å. The v2RDM-CASSCF approach with two-particle conditions is also applied to the equilibrium geometry of pentacene; optimized bond lengths deviate from those derived from experiment, on average, by 0.015 Å when using a cc-pVDZ basis set and a (22e,22o) active space.

Geometric Energy Derivatives at the Complete Basis Set Limit: Application to the Equilibrium Structure and Molecular Force Field of Formaldehyde.

PubMed

Morgan, W James; Matthews, Devin A; Ringholm, Magnus; Agarwal, Jay; Gong, Justin Z; Ruud, Kenneth; Allen, Wesley D; Stanton, John F; Schaefer, Henry F

2018-03-13

Geometric energy derivatives which rely on core-corrected focal-point energies extrapolated to the complete basis set (CBS) limit of coupled cluster theory with iterative and noniterative quadruple excitations, CCSDTQ and CCSDT(Q), are used as elements of molecular gradients and, in the case of CCSDT(Q), expansion coefficients of an anharmonic force field. These gradients are used to determine the CCSDTQ/CBS and CCSDT(Q)/CBS equilibrium structure of the S 0 ground state of H 2 CO where excellent agreement is observed with previous work and experimentally derived results. A fourth-order expansion about this CCSDT(Q)/CBS reference geometry using the same level of theory produces an exceptional level of agreement to spectroscopically observed vibrational band origins with a MAE of 0.57 cm -1 . Second-order vibrational perturbation theory (VPT2) and variational discrete variable representation (DVR) results are contrasted and discussed. Vibration-rotation, anharmonicity, and centrifugal distortion constants from the VPT2 analysis are reported and compared to previous work. Additionally, an initial application of a sum-over-states fourth-order vibrational perturbation theory (VPT4) formalism is employed herein, utilizing quintic and sextic derivatives obtained with a recursive algorithmic approach for response theory.

Text categorization of biomedical data sets using graph kernels and a controlled vocabulary.

PubMed

Bleik, Said; Mishra, Meenakshi; Huan, Jun; Song, Min

2013-01-01

Recently, graph representations of text have been showing improved performance over conventional bag-of-words representations in text categorization applications. In this paper, we present a graph-based representation for biomedical articles and use graph kernels to classify those articles into high-level categories. In our representation, common biomedical concepts and semantic relationships are identified with the help of an existing ontology and are used to build a rich graph structure that provides a consistent feature set and preserves additional semantic information that could improve a classifier's performance. We attempt to classify the graphs using both a set-based graph kernel that is capable of dealing with the disconnected nature of the graphs and a simple linear kernel. Finally, we report the results comparing the classification performance of the kernel classifiers to common text-based classifiers.

A Comparison of Reasoning Processes in a Collaborative Modelling Environment: Learning about genetics problems using virtual chat

NASA Astrophysics Data System (ADS)

Pata, Kai; Sarapuu, Tago

2006-09-01

This study investigated the possible activation of different types of model-based reasoning processes in two learning settings, and the influence of various terms of reasoning on the learners’ problem representation development. Changes in 53 students’ problem representations about genetic issue were analysed while they worked with different modelling tools in a synchronous network-based environment. The discussion log-files were used for the “microgenetic” analysis of reasoning types. For studying the stages of students’ problem representation development, individual pre-essays and post-essays and their utterances during two reasoning phases were used. An approach for mapping problem representations was developed. Characterizing the elements of mental models and their reasoning level enabled the description of five hierarchical categories of problem representations. Learning in exploratory and experimental settings was registered as the shift towards more complex stages of problem representations in genetics. The effect of different types of reasoning could be observed as the divergent development of problem representations within hierarchical categories.

Calculating and controlling the error of discrete representations of Pareto surfaces in convex multi-criteria optimization.

PubMed

Craft, David

2010-10-01

A discrete set of points and their convex combinations can serve as a sparse representation of the Pareto surface in multiple objective convex optimization. We develop a method to evaluate the quality of such a representation, and show by example that in multiple objective radiotherapy planning, the number of Pareto optimal solutions needed to represent Pareto surfaces of up to five dimensions grows at most linearly with the number of objectives. The method described is also applicable to the representation of convex sets. Copyright © 2009 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

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.

Importance of Kier-Hall topological indices in the QSAR of anticancer drug design.

PubMed

Nandi, Sisir; Bagchi, Manish C

2012-06-01

An important area of theoretical drug design research is quantitative structure activity relationship (QSAR) using structural invariants. The impetus for this research trend comes from various directions. Researchers in chemical documentation have searched for a set of invariants which will be more convenient than the adjacency matrix (or connection table) for the storage and comparison of chemical structures. Molecular structure can be looked upon as the representation of the relationship among its various constituents. The term molecular structure represents a set of nonequivalent and probably disjoint concepts. There is no reason to believe that when we discuss diverse topics (e.g. chemical synthesis, reaction rates, spectroscopic transitions, reaction mechanisms, and ab initio calculations) using the notion of molecular structure, the different meanings we attach to the single term molecular structure originate from the same fundamental concept. On the contrary, there is a theoretical and philosophical basis for the non-homogeneity of concepts covered by the term molecular structure. In the context of molecular science, the various concepts of molecular structure (e.g. classical valence bond representations, various chemical graph-theoretic representations, ball and spoke model of a molecule, representation of a molecule by minimum energy conformation, semi symbolic contour map of a molecule, or symbolic representation of chemical species by Hamiltonian operators) are model objects derived through different abstractions of the same chemical reality. In each instance, the equivalence class (concept or model of molecular structure) is generated by selecting certain aspects while ignoring some unique properties of those actual events. This explains the plurality of the concept of molecular structure and their autonomous nature, the word autonomous being used in the same sense that one concept is not logically derived from the other. At the most fundamental level, the structural model of an assembled entity (e.g. a molecule consisting of atoms) may be defined as the pattern of relationship among its parts as distinct from the values associated with them. Constitutional formulae of molecules are graphs where vertices represent the set of atoms and edges represent chemical bonds. The pattern of connectedness of atoms in a molecule is preserved by constitutional graphs. A graph (more correctly a non-directed graph) G = [V, E] consists of a finite non-empty set V of points together with a prescribed set E of unordered pairs of distinct points of V. Thus the mathematical characterization of structures represents structural invariants having successful applications in chemical documentation, characterization of molecular branching, enumeration of molecular constitutional associated with a particular empirical formula, calculation of quantum chemical parameters for the generation of quantitative structure-property-activity correlations. Kier developed a number of structural invariants which are now-a-days called as topological indices with wide range of practical applications for QSAR and drug design. The present paper is restricted to the review of Kier-Hall topological indices for QSAR and anticancer drug design for 2,5-bis(1-aziridinyl) 1,4-benzoquinone (BABQ), pyridopyrimidine, 4-anilinoquinazoline and 2-Phenylindoles compounds utilizing various statistical multivariate regression analyses.

Overcomplete compact representation of two-particle Green's functions

NASA Astrophysics Data System (ADS)

Shinaoka, Hiroshi; Otsuki, Junya; Haule, Kristjan; Wallerberger, Markus; Gull, Emanuel; Yoshimi, Kazuyoshi; Ohzeki, Masayuki

2018-05-01

Two-particle Green's functions and the vertex functions play a critical role in theoretical frameworks for describing strongly correlated electron systems. However, numerical calculations at the two-particle level often suffer from large computation time and massive memory consumption. We derive a general expansion formula for the two-particle Green's functions in terms of an overcomplete representation based on the recently proposed "intermediate representation" basis. The expansion formula is obtained by decomposing the spectral representation of the two-particle Green's function. We demonstrate that the expansion coefficients decay exponentially, while all high-frequency and long-tail structures in the Matsubara-frequency domain are retained. This representation therefore enables efficient treatment of two-particle quantities and opens a route to the application of modern many-body theories to realistic strongly correlated electron systems.

A RUTCOR Project in Discrete Applied Mathematics

DTIC Science & Technology

1990-02-20

representations of smooth piecewise polynomial functions over triangulated regions have led in particular to the conclusion that Groebner basis methods of...Reversing Number of a Digraph," in preparation. 4. Billera, L.J., and Rose, L.L., " Groebner Basis Methods for Multivariate Splines," RRR 1-89, January

48 CFR 315.204-5 - Part IV-Representations and instructions.

Code of Federal Regulations, 2013 CFR

2013-10-01

... as using too few.) (3) Examples of topics that form a basis for evaluation factors. Typical examples of topics that form a basis for the development of evaluation factors are listed in the following... special research, test, and other equipment or facilities. (vii) Managerial capability (ability to achieve...

48 CFR 315.204-5 - Part IV-Representations and instructions.

Code of Federal Regulations, 2014 CFR

2014-10-01

... as using too few.) (3) Examples of topics that form a basis for evaluation factors. Typical examples of topics that form a basis for the development of evaluation factors are listed in the following... special research, test, and other equipment or facilities. (vii) Managerial capability (ability to achieve...

48 CFR 315.204-5 - Part IV-Representations and instructions.

Code of Federal Regulations, 2012 CFR

2012-10-01

... as using too few.) (3) Examples of topics that form a basis for evaluation factors. Typical examples of topics that form a basis for the development of evaluation factors are listed in the following... special research, test, and other equipment or facilities. (vii) Managerial capability (ability to achieve...

Excitation basis for (3+1)d topological phases

NASA Astrophysics Data System (ADS)

Delcamp, Clement

2017-12-01

We consider an exactly solvable model in 3+1 dimensions, based on a finite group, which is a natural generalization of Kitaev's quantum double model. The corresponding lattice Hamiltonian yields excitations located at torus-boundaries. By cutting open the three-torus, we obtain a manifold bounded by two tori which supports states satisfying a higher-dimensional version of Ocneanu's tube algebra. This defines an algebraic structure extending the Drinfel'd double. Its irreducible representations, labeled by two fluxes and one charge, characterize the torus-excitations. The tensor product of such representations is introduced in order to construct a basis for (3+1)d gauge models which relies upon the fusion of the defect excitations. This basis is defined on manifolds of the form Σ × S_1 , with Σ a two-dimensional Riemann surface. As such, our construction is closely related to dimensional reduction from (3+1)d to (2+1)d topological orders.

The M-Factor, a Bilingual Asset for Plurilinguals? Learners' Representations, Discourse Strategies and Third Language Acquisition in Institutional Contexts

ERIC Educational Resources Information Center

Bono, Mariana; Stratilaki, Sofia

2009-01-01

Within the framework of our research on learners' language practices and representations, this contribution explores how their representations about language uses and language learning shape the processes of learning and communication in school settings. More precisely, we will study learners' representations regarding the existence of a…

Science, education and industry information resources complementarity as a basis for design of knowledge management systems

NASA Astrophysics Data System (ADS)

Maksimov, N. V.; Tikhomirov, G. V.; Golitsyna, O. L.

2017-01-01

The main problems and circumstances that influence the processes of creating effective knowledge management systems were described. These problems particularly include high species diversity of instruments for knowledge representation, lack of adequate lingware, including formal representation of semantic relationships. For semantic data descriptions development a conceptual model of the subject area and a conceptual-lexical system should be designed on proposals of ISO-15926 standard. It is proposed to conduct an information integration of educational and production processes on the basis of information systems technologies. Integrated knowledge management system information environment combines both traditional information resources and specific information resources of subject domain including task context and implicit/tacit knowledge.

Parameter dimension of turbulence-induced phase errors and its effects on estimation in phase diversity

NASA Technical Reports Server (NTRS)

Thelen, Brian J.; Paxman, Richard G.

1994-01-01

The method of phase diversity has been used in the context of incoherent imaging to estimate jointly an object that is being imaged and phase aberrations induced by atmospheric turbulence. The method requires a parametric model for the phase-aberration function. Typically, the parameters are coefficients to a finite set of basis functions. Care must be taken in selecting a parameterization that properly balances accuracy in the representation of the phase-aberration function with stability in the estimates. It is well known that over parameterization can result in unstable estimates. Thus a certain amount of model mismatch is often desirable. We derive expressions that quantify the bias and variance in object and aberration estimates as a function of parameter dimension.

Sparse representation of Gravitational Sound

NASA Astrophysics Data System (ADS)

Rebollo-Neira, Laura; Plastino, A.

2018-03-01

Gravitational Sound clips produced by the Laser Interferometer Gravitational-Wave Observatory (LIGO) and the Massachusetts Institute of Technology (MIT) are considered within the particular context of data reduction. We advance a procedure to this effect and show that these types of signals can be approximated with high quality using significantly fewer elementary components than those required within the standard orthogonal basis framework. Furthermore, a local measure sparsity is shown to render meaningful information about the variation of a signal along time, by generating a set of local sparsity values which is much smaller than the dimension of the signal. This point is further illustrated by recourse to a more complex signal, generated by Milde Science Communication to divulge Gravitational Sound in the form of a ring tone.

Establishing a group of endpoints to support collective operations without specifying unique identifiers for any endpoints

DOEpatents

Archer, Charles J.; Blocksom, Michael A.; Ratterman, Joseph D.; Smith, Brian E.; Xue, Hanghon

2016-02-02

A parallel computer executes a number of tasks, each task includes a number of endpoints and the endpoints are configured to support collective operations. In such a parallel computer, establishing a group of endpoints receiving a user specification of a set of endpoints included in a global collection of endpoints, where the user specification defines the set in accordance with a predefined virtual representation of the endpoints, the predefined virtual representation is a data structure setting forth an organization of tasks and endpoints included in the global collection of endpoints and the user specification defines the set of endpoints without a user specification of a particular endpoint; and defining a group of endpoints in dependence upon the predefined virtual representation of the endpoints and the user specification.

Establishing a group of endpoints in a parallel computer

DOEpatents

Archer, Charles J.; Blocksome, Michael A.; Ratterman, Joseph D.; Smith, Brian E.; Xue, Hanhong

2016-02-02

A parallel computer executes a number of tasks, each task includes a number of endpoints and the endpoints are configured to support collective operations. In such a parallel computer, establishing a group of endpoints receiving a user specification of a set of endpoints included in a global collection of endpoints, where the user specification defines the set in accordance with a predefined virtual representation of the endpoints, the predefined virtual representation is a data structure setting forth an organization of tasks and endpoints included in the global collection of endpoints and the user specification defines the set of endpoints without a user specification of a particular endpoint; and defining a group of endpoints in dependence upon the predefined virtual representation of the endpoints and the user specification.

Representation of the five- and six-dimensional harmonic oscillators in a u(5) ⊃ so(5) ⊃ so(3) basis

NASA Astrophysics Data System (ADS)

Rowe, D. J.

1994-06-01

The duality that exists between the two subgroups SU(1,1) and O(5) of Sp(5,R) to construct basis states for the five-dimensional harmonic oscillator which simultaneously reduce the Sp(5,R)⊇U(5)⊇O(5)⊇SO(3) and Sp(5,R)⊇ SU(1,1)⊇U(1) subgroup chains is used. It is shown that the vector-coherent-state wave functions of the fundamental five-dimensional SO(5) irrep [1,0] realize the traceless bosons introduced by Lohe and Hurst to classify the irreps of the orthogonal groups and employed in Chacon, Moshinsky, and Sharp's construction of a basis for the five-dimensional harmonic oscillator. Moreover, it is shown that VCS theory provides a simple mechanism for constructing matrix elements of the traceless boson operators. These matrix elements are used to extend the VCS representations of SO(5) in an SO(3) basis, given in a previous paper, to irreps of U(5) in an SO(5)⊇ SO(3) basis. The extension to U(6)⊇U(5)⊇SO(5)⊇SO(3) is also given.

Representation and display of vector field topology in fluid flow data sets

NASA Technical Reports Server (NTRS)

Helman, James; Hesselink, Lambertus

1989-01-01

The visualization of physical processes in general and of vector fields in particular is discussed. An approach to visualizing flow topology that is based on the physics and mathematics underlying the physical phenomenon is presented. It involves determining critical points in the flow where the velocity vector vanishes. The critical points, connected by principal lines or planes, determine the topology of the flow. The complexity of the data is reduced without sacrificing the quantitative nature of the data set. By reducing the original vector field to a set of critical points and their connections, a representation of the topology of a two-dimensional vector field that is much smaller than the original data set but retains with full precision the information pertinent to the flow topology is obtained. This representation can be displayed as a set of points and tangent curves or as a graph. Analysis (including algorithms), display, interaction, and implementation aspects are discussed.

Representations of S{sub {infinity}} admissible with respect to Young subgroups

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

Nessonov, Nikolai I

2012-03-31

Let N be the set of positive integers and S{sub {infinity}} the set of finite permutations of N. For a partition {Pi} of the set N into infinite parts A{sub 1},A{sub 2},... we denote by S{sub {Pi}} the subgroup of S{sub {infinity}} whose elements leave invariant each of the sets A{sub j}. We set S{sub {infinity}}{sup (N)}={l_brace}s element of S{sub {infinity}:} s(i)=i for any i=1,2,...,N{r_brace}. A factor representation T of the group S{sub {infinity}} is said to be {Pi}-admissible if for some N it contains a nontrivial identity subrepresentation of the subgroup S{sub {Pi}} intersection S{sub {infinity}}{sup (N)}. In themore » paper, we obtain a classification of the {Pi}-admissible factor representations of S{sub {infinity}}. Bibliography: 14 titles.« less

From plane waves to local Gaussians for the simulation of correlated periodic systems

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

Booth, George H., E-mail: george.booth@kcl.ac.uk; Tsatsoulis, Theodoros; Grüneis, Andreas, E-mail: a.grueneis@fkf.mpg.de

2016-08-28

We present a simple, robust, and black-box approach to the implementation and use of local, periodic, atom-centered Gaussian basis functions within a plane wave code, in a computationally efficient manner. The procedure outlined is based on the representation of the Gaussians within a finite bandwidth by their underlying plane wave coefficients. The core region is handled within the projected augment wave framework, by pseudizing the Gaussian functions within a cutoff radius around each nucleus, smoothing the functions so that they are faithfully represented by a plane wave basis with only moderate kinetic energy cutoff. To mitigate the effects of themore » basis set superposition error and incompleteness at the mean-field level introduced by the Gaussian basis, we also propose a hybrid approach, whereby the complete occupied space is first converged within a large plane wave basis, and the Gaussian basis used to construct a complementary virtual space for the application of correlated methods. We demonstrate that these pseudized Gaussians yield compact and systematically improvable spaces with an accuracy comparable to their non-pseudized Gaussian counterparts. A key advantage of the described method is its ability to efficiently capture and describe electronic correlation effects of weakly bound and low-dimensional systems, where plane waves are not sufficiently compact or able to be truncated without unphysical artifacts. We investigate the accuracy of the pseudized Gaussians for the water dimer interaction, neon solid, and water adsorption on a LiH surface, at the level of second-order Møller–Plesset perturbation theory.« less

Machine learning of neural representations of suicide and emotion concepts identifies suicidal youth

PubMed Central

Just, Marcel Adam; Pan, Lisa; Cherkassky, Vladimir L.; McMakin, Dana; Cha, Christine; Nock, Matthew K.; Brent, David

2017-01-01

The clinical assessment of suicidal risk would be significantly complemented by a biologically-based measure that assesses alterations in the neural representations of concepts related to death and life in people who engage in suicidal ideation. This study used machine-learning algorithms (Gaussian Naïve Bayes) to identify such individuals (17 suicidal ideators vs 17 controls) with high (91%) accuracy, based on their altered fMRI neural signatures of death and life-related concepts. The most discriminating concepts were death, cruelty, trouble, carefree, good, and praise. A similar classification accurately (94%) discriminated 9 suicidal ideators who had made a suicide attempt from 8 who had not. Moreover, a major facet of the concept alterations was the evoked emotion, whose neural signature served as an alternative basis for accurate (85%) group classification. The study establishes a biological, neurocognitive basis for altered concept representations in participants with suicidal ideation, which enables highly accurate group membership classification. PMID:29367952

Continuous family of finite-dimensional representations of a solvable Lie algebra arising from singularities

PubMed Central

Yau, Stephen S.-T.

1983-01-01

A natural mapping from the set of complex analytic isolated hypersurface singularities to the set of finite dimensional Lie algebras is first defined. It is proven that the image under this natural mapping is contained in the set of solvable Lie algebras. This approach gives rise to a continuous inequivalent family of finite dimensional representations of a solvable Lie algebra. PMID:16593401

Cerebral localization in the nineteenth century--the birth of a science and its modern consequences.

PubMed

Steinberg, David A

2009-07-01

Although many individuals contributed to the development of the science of cerebral localization, its conceptual framework is the work of a single man--John Hughlings Jackson (1835-1911), a Victorian physician practicing in London. Hughlings Jackson's formulation of a neurological science consisted of an axiomatic basis, an experimental methodology, and a clinical neurophysiology. His axiom--that the brain is an exclusively sensorimotor machine--separated neurology from psychiatry and established a rigorous and sophisticated structure for the brain and mind. Hughlings Jackson's experimental method utilized the focal lesion as a probe of brain function and created an evolutionary structure of somatotopic representation to explain clinical neurophysiology. His scientific theory of cerebral localization can be described as a weighted ordinal representation. Hughlings Jackson's theory of weighted ordinal representation forms the scientific basis for modern neurology. Though this science is utilized daily by every neurologist and forms the basis of neuroscience, the consequences of Hughlings Jackson's ideas are still not generally appreciated. For example, they imply the intrinsic inconsistency of some modern fields of neuroscience and neurology. Thus, "cognitive imaging" and the "neurology of art"--two topics of modern interest--are fundamentally oxymoronic according to the science of cerebral localization. Neuroscientists, therefore, still have much to learn from John Hughlings Jackson.

Advances in Quantum Trajectory Approaches to Dynamics

NASA Astrophysics Data System (ADS)

Askar, Attila

2001-03-01

The quantum fluid dynamics (QFD) formulation is based on the separation of the amplitude and phase of the complex wave function in Schrodinger's equation. The approach leads to conservation laws for an equivalent "gas continuum". The Lagrangian [1] representation corresponds to following the particles of the fluid continuum, i. e. calculating "quantum trajectories". The Eulerian [2] representation on the other hand, amounts to observing the dynamics of the gas continuum at the points of a fixed coordinate frame. The combination of several factors leads to a most encouraging computational efficiency. QFD enables the numerical analysis to deal with near monotonic amplitude and phase functions. The Lagrangian description concentrates the computation effort to regions of highest probability as an optimal adaptive grid. The Eulerian representation allows the study of multi-coordinate problems as a set of one-dimensional problems within an alternating direction methodology. An explicit time integrator limits the increase in computational effort with the number of discrete points to linear. Discretization of the space via local finite elements [1,2] and global radial functions [3] will be discussed. Applications include wave packets in four-dimensional quadratic potentials and two coordinate photo-dissociation problems for NOCl and NO2. [1] "Quantum fluid dynamics (QFD) in the Lagrangian representation with applications to photo-dissociation problems", F. Sales, A. Askar and H. A. Rabitz, J. Chem. Phys. 11, 2423 (1999) [2] "Multidimensional wave-packet dynamics within the fluid dynamical formulation of the Schrodinger equation", B. Dey, A. Askar and H. A. Rabitz, J. Chem. Phys. 109, 8770 (1998) [3] "Solution of the quantum fluid dynamics equations with radial basis function interpolation", Xu-Guang Hu, Tak-San Ho, H. A. Rabitz and A. Askar, Phys. Rev. E. 61, 5967 (2000)

Neo: an object model for handling electrophysiology data in multiple formats

PubMed Central

Garcia, Samuel; Guarino, Domenico; Jaillet, Florent; Jennings, Todd; Pröpper, Robert; Rautenberg, Philipp L.; Rodgers, Chris C.; Sobolev, Andrey; Wachtler, Thomas; Yger, Pierre; Davison, Andrew P.

2014-01-01

Neuroscientists use many different software tools to acquire, analyze and visualize electrophysiological signals. However, incompatible data models and file formats make it difficult to exchange data between these tools. This reduces scientific productivity, renders potentially useful analysis methods inaccessible and impedes collaboration between labs. A common representation of the core data would improve interoperability and facilitate data-sharing. To that end, we propose here a language-independent object model, named “Neo,” suitable for representing data acquired from electroencephalographic, intracellular, or extracellular recordings, or generated from simulations. As a concrete instantiation of this object model we have developed an open source implementation in the Python programming language. In addition to representing electrophysiology data in memory for the purposes of analysis and visualization, the Python implementation provides a set of input/output (IO) modules for reading/writing the data from/to a variety of commonly used file formats. Support is included for formats produced by most of the major manufacturers of electrophysiology recording equipment and also for more generic formats such as MATLAB. Data representation and data analysis are conceptually separate: it is easier to write robust analysis code if it is focused on analysis and relies on an underlying package to handle data representation. For that reason, and also to be as lightweight as possible, the Neo object model and the associated Python package are deliberately limited to representation of data, with no functions for data analysis or visualization. Software for neurophysiology data analysis and visualization built on top of Neo automatically gains the benefits of interoperability, easier data sharing and automatic format conversion; there is already a burgeoning ecosystem of such tools. We intend that Neo should become the standard basis for Python tools in neurophysiology. PMID:24600386

Neo: an object model for handling electrophysiology data in multiple formats.

PubMed

Garcia, Samuel; Guarino, Domenico; Jaillet, Florent; Jennings, Todd; Pröpper, Robert; Rautenberg, Philipp L; Rodgers, Chris C; Sobolev, Andrey; Wachtler, Thomas; Yger, Pierre; Davison, Andrew P

2014-01-01

Neuroscientists use many different software tools to acquire, analyze and visualize electrophysiological signals. However, incompatible data models and file formats make it difficult to exchange data between these tools. This reduces scientific productivity, renders potentially useful analysis methods inaccessible and impedes collaboration between labs. A common representation of the core data would improve interoperability and facilitate data-sharing. To that end, we propose here a language-independent object model, named "Neo," suitable for representing data acquired from electroencephalographic, intracellular, or extracellular recordings, or generated from simulations. As a concrete instantiation of this object model we have developed an open source implementation in the Python programming language. In addition to representing electrophysiology data in memory for the purposes of analysis and visualization, the Python implementation provides a set of input/output (IO) modules for reading/writing the data from/to a variety of commonly used file formats. Support is included for formats produced by most of the major manufacturers of electrophysiology recording equipment and also for more generic formats such as MATLAB. Data representation and data analysis are conceptually separate: it is easier to write robust analysis code if it is focused on analysis and relies on an underlying package to handle data representation. For that reason, and also to be as lightweight as possible, the Neo object model and the associated Python package are deliberately limited to representation of data, with no functions for data analysis or visualization. Software for neurophysiology data analysis and visualization built on top of Neo automatically gains the benefits of interoperability, easier data sharing and automatic format conversion; there is already a burgeoning ecosystem of such tools. We intend that Neo should become the standard basis for Python tools in neurophysiology.

Visual management of large scale data mining projects.

PubMed

Shah, I; Hunter, L

2000-01-01

This paper describes a unified framework for visualizing the preparations for, and results of, hundreds of machine learning experiments. These experiments were designed to improve the accuracy of enzyme functional predictions from sequence, and in many cases were successful. Our system provides graphical user interfaces for defining and exploring training datasets and various representational alternatives, for inspecting the hypotheses induced by various types of learning algorithms, for visualizing the global results, and for inspecting in detail results for specific training sets (functions) and examples (proteins). The visualization tools serve as a navigational aid through a large amount of sequence data and induced knowledge. They provided significant help in understanding both the significance and the underlying biological explanations of our successes and failures. Using these visualizations it was possible to efficiently identify weaknesses of the modular sequence representations and induction algorithms which suggest better learning strategies. The context in which our data mining visualization toolkit was developed was the problem of accurately predicting enzyme function from protein sequence data. Previous work demonstrated that approximately 6% of enzyme protein sequences are likely to be assigned incorrect functions on the basis of sequence similarity alone. In order to test the hypothesis that more detailed sequence analysis using machine learning techniques and modular domain representations could address many of these failures, we designed a series of more than 250 experiments using information-theoretic decision tree induction and naive Bayesian learning on local sequence domain representations of problematic enzyme function classes. In more than half of these cases, our methods were able to perfectly discriminate among various possible functions of similar sequences. We developed and tested our visualization techniques on this application.

A Data Type for Efficient Representation of Other Data Types

NASA Technical Reports Server (NTRS)

James, Mark

2008-01-01

A self-organizing, monomorphic data type denoted a sequence has been conceived to address certain concerns that arise in programming parallel computers. A sequence in the present sense can be regarded abstractly as a vector, set, bag, queue, or other construct. Heretofore, in programming a parallel computer, it has been necessary for the programmer to state explicitly, at the outset, what parts of the program and the underlying data structures must be represented in parallel form. Not only is this requirement not optimal from the perspective of implementation; it entails an additional requirement that the programmer have intimate understanding of the underlying parallel structure. The present sequence data type overcomes both the implementation and parallel structure obstacles. In so doing, the sequence data type provides unified means by which the programmer can represent a data structure for natural and automatic decomposition to a parallel computing architecture. Sequences exhibit the behavioral and structural characteristics of vectors, but the underlying representations are automatically synthesized from combinations of programmers advice and execution use metrics. Sequences can vary bidirectionally between sparseness and density, making them excellent choices for many kinds of algorithms. The novelty and benefit of this behavior lies in the fact that it can relieve programmers of the details of implementations. The creation of a sequence enables decoupling of a conceptual representation from an implementation. The underlying representation of a sequence is a hybrid of representations composed of vectors, linked lists, connected blocks, and hash tables. The internal structure of a sequence can automatically change from time to time on the basis of how it is being used. Those portions of a sequence where elements have not been added or removed can be as efficient as vectors. As elements are inserted and removed in a given portion, then different methods are utilized to provide both an access and memory strategy that is optimized for that portion and the use to which it is put.

Braid group representation on quantum computation

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

Aziz, Ryan Kasyfil, E-mail: kasyfilryan@gmail.com; Muchtadi-Alamsyah, Intan, E-mail: ntan@math.itb.ac.id

2015-09-30

There are many studies about topological representation of quantum computation recently. One of diagram representation of quantum computation is by using ZX-Calculus. In this paper we will make a diagrammatical scheme of Dense Coding. We also proved that ZX-Calculus diagram of maximally entangle state satisfies Yang-Baxter Equation and therefore, we can construct a Braid Group representation of set of maximally entangle state.

Impossibility Theorem in Proportional Representation Problem

NASA Astrophysics Data System (ADS)

Karpov, Alexander

2010-09-01

The study examines general axiomatics of Balinski and Young and analyzes existed proportional representation methods using this approach. The second part of the paper provides new axiomatics based on rational choice models. New system of axioms is applied to study known proportional representation systems. It is shown that there is no proportional representation method satisfying a minimal set of the axioms (monotonicity and neutrality).

Exploring the representational basis of response-effect compatibility: Evidence from bilingual verbal response-effect mappings.

PubMed

Földes, Noémi; Philipp, Andrea M; Badets, Arnaud; Koch, Iring

2018-05-01

The ideomotor principle states that actions are represented by their anticipated sensory effects. This notion is often tested using the response-effect compatibility (REC) paradigm, where participants' responses are followed either by a compatible or incompatible response effect (e.g., an effect on the right side after a right-hand response is considered R-E compatible due to the spatial overlap, whereas an effect on the left side after the right-hand response is considered incompatible). Shorter reaction times are typically observed in the compatible condition compared to the incompatible condition (i.e., REC effect), suggesting that effect anticipation plays a role in action control. Previous evidence from verbal REC suggested that effect anticipation can be due to conceptual R-E overlap, but there was also phonological overlap (i.e., anticipated reading of a word preceded by the vocal response of saying that very word). To examine the representational basis of REC, in three experiments, we introduced a bilingual R-E mapping to exclude phonological R-E overlap (i.e., in the R-E compatible condition, the translation equivalent of the response word is presented as an effect word in a different language). Our findings show that the REC effect is obtained when presenting the effect word in the same language as the response (i.e., monolingual condition), but the compatibility effect was not found when the semantically same word is presented in a different language, suggesting no conceptually generalized REC in a bilingual setting. (232 words). Copyright © 2018 Elsevier B.V. All rights reserved.

Explicit correlation treatment of the six-dimensional potential energy surface and predicted infrared spectra for OCS-H2

NASA Astrophysics Data System (ADS)

Liu, Jing-Min; Zhai, Yu; Li, Hui

2017-07-01

An effective six-dimensional ab initio potential energy surface (PES) for H2-OCS which explicitly includes the intramolecular stretch normal modes of carbonyl sulfide (OCS) is presented. The electronic structure computations are carried out using the explicitly correlated coupled cluster [CCSD(T)-F12] method with the augmented correlation-consistent aug-cc-pVTZ basis set, and the accuracy is critically tested by performing a series of benchmark calculations. Analytic four-dimensional PESs are obtained by least-squares fitting vibrationally averaged interaction energies to the Morse/long-range potential model. These fits to 13 485 points have a root-mean-square deviation (RMSD) of 0.16 cm-1. The combined radial discrete variable representation/angular finite basis representation method and the Lanczos algorithm were employed to evaluate the rovibrational energy levels for five isotopic species of the OCS-hydrogen complexes. The predicted transition frequencies and intensities based on the resulting vibrationally averaged PESs are in good agreement with the available experimental values, whose RMSDs are smaller than 0.004 cm-1 for five different species of OCS-hydrogen complexes. The calculated infrared band origin shifts for all five species of OCS-hydrogen complexes are only 0.03 cm-1 smaller than the corresponding experimental values. These validate the high quality of our PESs which can be used for modeling OCS doped in hydrogen clusters to further study quantum solution and microscopic superfluidity. In addition, the analytic coordinate transformation functions between isotopologues are also derived due to the center of mass shifting of different isotope substitutes.

Eulerian formulation of the interacting particle representation model of homogeneous turbulence

DOE PAGES

Campos, Alejandro; Duraisamy, Karthik; Iaccarino, Gianluca

2016-10-21

The Interacting Particle Representation Model (IPRM) of homogeneous turbulence incorporates information about the morphology of turbulent structures within the con nes of a one-point model. In the original formulation [Kassinos & Reynolds, Center for Turbulence Research: Annual Research Briefs, 31{51, (1996)], the IPRM was developed in a Lagrangian setting by evolving second moments of velocity conditional on a given gradient vector. In the present work, the IPRM is re-formulated in an Eulerian framework and evolution equations are developed for the marginal PDFs. Eulerian methods avoid the issues associated with statistical estimators used by Lagrangian approaches, such as slow convergence. Amore » specific emphasis of this work is to use the IPRM to examine the long time evolution of homogeneous turbulence. We first describe the derivation of the marginal PDF in spherical coordinates, which reduces the number of independent variables and the cost associated with Eulerian simulations of PDF models. Next, a numerical method based on radial basis functions over a spherical domain is adapted to the IPRM. Finally, results obtained with the new Eulerian solution method are thoroughly analyzed. The sensitivity of the Eulerian simulations to parameters of the numerical scheme, such as the size of the time step and the shape parameter of the radial basis functions, is examined. A comparison between Eulerian and Lagrangian simulations is performed to discern the capabilities of each of the methods. Finally, a linear stability analysis based on the eigenvalues of the discrete differential operators is carried out for both the new Eulerian solution method and the original Lagrangian approach.« less

48 CFR 2052.209-71 - Contractor organizational conflicts of interest (representation).

Code of Federal Regulations, 2012 CFR

2012-10-01

... System NUCLEAR REGULATORY COMMISSION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES Text... / / involve situations or relationships of the type set forth in 48 CFR 2009.570-3(b). (a) If the representation, as completed, indicates that situations or relationships of the type set forth in 48 CFR 2009.570...

48 CFR 2052.209-71 - Contractor organizational conflicts of interest (representation).

Code of Federal Regulations, 2014 CFR

2014-10-01

... System NUCLEAR REGULATORY COMMISSION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES Text... / / involve situations or relationships of the type set forth in 48 CFR 2009.570-3(b). (a) If the representation, as completed, indicates that situations or relationships of the type set forth in 48 CFR 2009.570...

48 CFR 2052.209-71 - Contractor organizational conflicts of interest (representation).

Code of Federal Regulations, 2011 CFR

2011-10-01

... System NUCLEAR REGULATORY COMMISSION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES Text... / / involve situations or relationships of the type set forth in 48 CFR 2009.570-3(b). (a) If the representation, as completed, indicates that situations or relationships of the type set forth in 48 CFR 2009.570...

48 CFR 2052.209-71 - Contractor organizational conflicts of interest (representation).

Code of Federal Regulations, 2013 CFR

2013-10-01

... System NUCLEAR REGULATORY COMMISSION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES Text... / / involve situations or relationships of the type set forth in 48 CFR 2009.570-3(b). (a) If the representation, as completed, indicates that situations or relationships of the type set forth in 48 CFR 2009.570...

Basis sets for the calculation of core-electron binding energies

NASA Astrophysics Data System (ADS)

Hanson-Heine, Magnus W. D.; George, Michael W.; Besley, Nicholas A.

2018-05-01

Core-electron binding energies (CEBEs) computed within a Δ self-consistent field approach require large basis sets to achieve convergence with respect to the basis set limit. It is shown that supplementing a basis set with basis functions from the corresponding basis set for the element with the next highest nuclear charge (Z + 1) provides basis sets that give CEBEs close to the basis set limit. This simple procedure provides relatively small basis sets that are well suited for calculations where the description of a core-ionised state is important, such as time-dependent density functional theory calculations of X-ray emission spectroscopy.

An efficient approach to CI: General matrix element formulas for spin-coupled particle-hole excitations

NASA Astrophysics Data System (ADS)

Tavan, Paul; Schulten, Klaus

1980-03-01

A new, efficient algorithm for the evaluation of the matrix elements of the CI Hamiltonian in the basis of spin-coupled ν-fold excitations (over orthonormal orbitals) is developed for even electron systems. For this purpose we construct an orthonormal, spin-adapted CI basis in the framework of second quantization. As a prerequisite, spin and space parts of the fermion operators have to be separated; this makes it possible to introduce the representation theory of the permutation group. The ν-fold excitation operators are Serber spin-coupled products of particle-hole excitations. This construction is also designed for CI calculations from multireference (open-shell) states. The 2N-electron Hamiltonian is expanded in terms of spin-coupled particle-hole operators which map any ν-fold excitation on ν-, and ν±1-, and ν±2-fold excitations. For the calculation of the CI matrix this leaves one with only the evaluation of overlap matrix elements between spin-coupled excitations. This leads to a set of ten general matrix element formulas which contain Serber representation matrices of the permutation group Sν×Sν as parameters. Because of the Serber structure of the CI basis these group-theoretical parameters are kept to a minimum such that they can be stored readily in the central memory of a computer for ν?4 and even for higher excitations. As the computational effort required to obtain the CI matrix elements from the general formulas is very small, the algorithm presented appears to constitute for even electron systems a promising alternative to existing CI methods for multiply excited configurations, e.g., the unitary group approach. Our method makes possible the adaptation of spatial symmetries and the selection of any subset of configurations. The algorithm has been implemented in a computer program and tested extensively for ν?4 and singlet ground and excited states.

Towards an Effective Theory of Reformulation. Part 1; Semantics

NASA Technical Reports Server (NTRS)

Benjamin, D. Paul

1992-01-01

This paper describes an investigation into the structure of representations of sets of actions, utilizing semigroup theory. The goals of this project are twofold: to shed light on the relationship between tasks and representations, leading to a classification of tasks according to the representations they admit; and to develop techniques for automatically transforming representations so as to improve problem-solving performance. A method is demonstrated for automatically generating serial algorithms for representations whose actions form a finite group. This method is then extended to representations whose actions form a finite inverse semigroup.

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

Papajak, Ewa; Truhlar, Donald G.

We present sets of convergent, partially augmented basis set levels corresponding to subsets of the augmented “aug-cc-pV(n+d)Z” basis sets of Dunning and co-workers. We show that for many molecular properties a basis set fully augmented with diffuse functions is computationally expensive and almost always unnecessary. On the other hand, unaugmented cc-pV(n+d)Z basis sets are insufficient for many properties that require diffuse functions. Therefore, we propose using intermediate basis sets. We developed an efficient strategy for partial augmentation, and in this article, we test it and validate it. Sequentially deleting diffuse basis functions from the “aug” basis sets yields the “jul”,more » “jun”, “may”, “apr”, etc. basis sets. Tests of these basis sets for Møller-Plesset second-order perturbation theory (MP2) show the advantages of using these partially augmented basis sets and allow us to recommend which basis sets offer the best accuracy for a given number of basis functions for calculations on large systems. Similar truncations in the diffuse space can be performed for the aug-cc-pVxZ, aug-cc-pCVxZ, etc. basis sets.« less

Data Representation, Coding, and Communication Standards.

PubMed

Amin, Milon; Dhir, Rajiv

2015-06-01

The immense volume of cases signed out by surgical pathologists on a daily basis gives little time to think about exactly how data are stored. An understanding of the basics of data representation has implications that affect a pathologist's daily practice. This article covers the basics of data representation and its importance in the design of electronic medical record systems. Coding in surgical pathology is also discussed. Finally, a summary of communication standards in surgical pathology is presented, including suggested resources that establish standards for select aspects of pathology reporting. Copyright © 2015 Elsevier Inc. All rights reserved.

Noisy bases in Hilbert space: A new class of thermal coherent states and their properties

NASA Technical Reports Server (NTRS)

Vourdas, A.; Bishop, R. F.

1995-01-01

Coherent mixed states (or thermal coherent states) associated with the displaced harmonic oscillator at finite temperature, are introduced as a 'random' (or 'thermal' or 'noisy') basis in Hilbert space. A resolution of the identity for these states is proved and used to generalize the usual coherent state formalism for the finite temperature case. The Bargmann representation of an operator is introduced and its relation to the P and Q representations is studied. Generalized P and Q representations for the finite temperature case are also considered and several interesting relations among them are derived.

A terracing operator for physical property mapping with potential field data

USGS Publications Warehouse

Cordell, L.; McCafferty, A.E.

1989-01-01

The terracing operator works iteratively on gravity or magnetic data, using the sense of the measured field's local curvature, to produce a field comprised of uniform domains separated by abrupt domain boundaries. The result is crudely proportional to a physical-property function defined in one (profile case) or two (map case) horizontal dimensions. This result can be extended to a physical-property model if its behavior in the third (vertical) dimension is defined, either arbitrarily or on the basis of the local geologic situation. The terracing algorithm is computationally fast and appropriate to use with very large digital data sets. The terracing operator was applied separately to aeromagnetic and gravity data from a 136km x 123km area in eastern Kansas. Results provide a reasonable good physical representation of both the gravity and the aeromagnetic data. Superposition of the results from the two data sets shows many areas of agreement that can be referenced to geologic features within the buried Precambrian crystalline basement. -from Authors

Neural representations of social status hierarchy in human inferior parietal cortex.

PubMed

Chiao, Joan Y; Harada, Tokiko; Oby, Emily R; Li, Zhang; Parrish, Todd; Bridge, Donna J

2009-01-01

Mental representations of social status hierarchy share properties with that of numbers. Previous neuroimaging studies have shown that the neural representation of numerical magnitude lies within a network of regions within inferior parietal cortex. However the neural basis of social status hierarchy remains unknown. Using fMRI, we studied subjects while they compared social status magnitude of people, objects and symbols, as well as numerical magnitude. Both social status and number comparisons recruited bilateral intraparietal sulci. We also observed a semantic distance effect whereby neural activity within bilateral intraparietal sulci increased for semantically close relative to far numerical and social status comparisons. These results demonstrate that social status and number comparisons recruit distinct and overlapping neuronal representations within human inferior parietal cortex.

Mental Models in Expert Physics Reasoning.

ERIC Educational Resources Information Center

Roschelle, Jeremy; Greeno, James G.

Proposed is a relational framework for characterizing experienced physicists' representations of physics problem situations and the process of constructing these representations. A representation includes a coherent set of relations among: (1) a mental model of the objects in the situation, along with their relevant properties and relations; (2) a…

Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

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

Spackman, Peter R.; Karton, Amir, E-mail: amir.karton@uwa.edu.au

Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/L{sup α} two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/ormore » second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol{sup –1}. The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol{sup –1}.« less

Estimating the CCSD basis-set limit energy from small basis sets: basis-set extrapolations vs additivity schemes

NASA Astrophysics Data System (ADS)

Spackman, Peter R.; Karton, Amir

2015-05-01

Coupled cluster calculations with all single and double excitations (CCSD) converge exceedingly slowly with the size of the one-particle basis set. We assess the performance of a number of approaches for obtaining CCSD correlation energies close to the complete basis-set limit in conjunction with relatively small DZ and TZ basis sets. These include global and system-dependent extrapolations based on the A + B/Lα two-point extrapolation formula, and the well-known additivity approach that uses an MP2-based basis-set-correction term. We show that the basis set convergence rate can change dramatically between different systems(e.g.it is slower for molecules with polar bonds and/or second-row elements). The system-dependent basis-set extrapolation scheme, in which unique basis-set extrapolation exponents for each system are obtained from lower-cost MP2 calculations, significantly accelerates the basis-set convergence relative to the global extrapolations. Nevertheless, we find that the simple MP2-based basis-set additivity scheme outperforms the extrapolation approaches. For example, the following root-mean-squared deviations are obtained for the 140 basis-set limit CCSD atomization energies in the W4-11 database: 9.1 (global extrapolation), 3.7 (system-dependent extrapolation), and 2.4 (additivity scheme) kJ mol-1. The CCSD energy in these approximations is obtained from basis sets of up to TZ quality and the latter two approaches require additional MP2 calculations with basis sets of up to QZ quality. We also assess the performance of the basis-set extrapolations and additivity schemes for a set of 20 basis-set limit CCSD atomization energies of larger molecules including amino acids, DNA/RNA bases, aromatic compounds, and platonic hydrocarbon cages. We obtain the following RMSDs for the above methods: 10.2 (global extrapolation), 5.7 (system-dependent extrapolation), and 2.9 (additivity scheme) kJ mol-1.

MATRIX-VBS Condensing Organic Aerosols in an Aerosol Microphysics Model

NASA Technical Reports Server (NTRS)

Gao, Chloe Y.; Tsigaridis, Konstas; Bauer, Susanne E.

2015-01-01

The condensation of organic aerosols is represented in a newly developed box-model scheme, where its effect on the growth and composition of particles are examined. We implemented the volatility-basis set (VBS) framework into the aerosol mixing state resolving microphysical scheme Multiconfiguration Aerosol TRacker of mIXing state (MATRIX). This new scheme is unique and advances the representation of organic aerosols in models in that, contrary to the traditional treatment of organic aerosols as non-volatile in most climate models and in the original version of MATRIX, this new scheme treats them as semi-volatile. Such treatment is important because low-volatility organics contribute significantly to the growth of particles. The new scheme includes several classes of semi-volatile organic compounds from the VBS framework that can partition among aerosol populations in MATRIX, thus representing the growth of particles via condensation of low volatility organic vapors. Results from test cases representing Mexico City and a Finish forrest condistions show good representation of the time evolutions of concentration for VBS species in the gas phase and in the condensed particulate phase. Emitted semi-volatile primary organic aerosols evaporate almost completely in the high volatile range, and they condense more efficiently in the low volatility range.

Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced Sampling.

PubMed

Yang, Yi Isaac; Parrinello, Michele

2018-06-12

Collective variables are used often in many enhanced sampling methods, and their choice is a crucial factor in determining sampling efficiency. However, at times, searching for good collective variables can be challenging. In a recent paper, we combined time-lagged independent component analysis with well-tempered metadynamics in order to obtain improved collective variables from metadynamics runs that use lower quality collective variables [ McCarty, J.; Parrinello, M. J. Chem. Phys. 2017 , 147 , 204109 ]. In this work, we extend these ideas to variationally enhanced sampling. This leads to an efficient scheme that is able to make use of the many advantages of the variational scheme. We apply the method to alanine-3 in water. From an alanine-3 variationally enhanced sampling trajectory in which all the six dihedral angles are biased, we extract much better collective variables able to describe in exquisite detail the protein complex free energy surface in a low dimensional representation. The success of this investigation is helped by a more accurate way of calculating the correlation functions needed in the time-lagged independent component analysis and from the introduction of a new basis set to describe the dihedral angles arrangement.

A web-based system architecture for ontology-based data integration in the domain of IT benchmarking

NASA Astrophysics Data System (ADS)

Pfaff, Matthias; Krcmar, Helmut

2018-03-01

In the domain of IT benchmarking (ITBM), a variety of data and information are collected. Although these data serve as the basis for business analyses, no unified semantic representation of such data yet exists. Consequently, data analysis across different distributed data sets and different benchmarks is almost impossible. This paper presents a system architecture and prototypical implementation for an integrated data management of distributed databases based on a domain-specific ontology. To preserve the semantic meaning of the data, the ITBM ontology is linked to data sources and functions as the central concept for database access. Thus, additional databases can be integrated by linking them to this domain-specific ontology and are directly available for further business analyses. Moreover, the web-based system supports the process of mapping ontology concepts to external databases by introducing a semi-automatic mapping recommender and by visualizing possible mapping candidates. The system also provides a natural language interface to easily query linked databases. The expected result of this ontology-based approach of knowledge representation and data access is an increase in knowledge and data sharing in this domain, which will enhance existing business analysis methods.

Preprocessing: Geocoding of AVIRIS data using navigation, engineering, DEM, and radar tracking system data

NASA Technical Reports Server (NTRS)

Meyer, Peter; Larson, Steven A.; Hansen, Earl G.; Itten, Klaus I.

1993-01-01

Remotely sensed data have geometric characteristics and representation which depend on the type of the acquisition system used. To correlate such data over large regions with other real world representation tools like conventional maps or Geographic Information System (GIS) for verification purposes, or for further treatment within different data sets, a coregistration has to be performed. In addition to the geometric characteristics of the sensor there are two other dominating factors which affect the geometry: the stability of the platform and the topography. There are two basic approaches for a geometric correction on a pixel-by-pixel basis: (1) A parametric approach using the location of the airplane and inertial navigation system data to simulate the observation geometry; and (2) a non-parametric approach using tie points or ground control points. It is well known that the non-parametric approach is not reliable enough for the unstable flight conditions of airborne systems, and is not satisfying in areas with significant topography, e.g. mountains and hills. The present work describes a parametric preprocessing procedure which corrects effects of flight line and attitude variation as well as topographic influences and is described in more detail by Meyer.

Potential role of monkey inferior parietal neurons coding action semantic equivalences as precursors of parts of speech.

PubMed

Yamazaki, Yumiko; Yokochi, Hiroko; Tanaka, Michio; Okanoya, Kazuo; Iriki, Atsushi

2010-01-01

The anterior portion of the inferior parietal cortex possesses comprehensive representations of actions embedded in behavioural contexts. Mirror neurons, which respond to both self-executed and observed actions, exist in this brain region in addition to those originally found in the premotor cortex. We found that parietal mirror neurons responded differentially to identical actions embedded in different contexts. Another type of parietal mirror neuron represents an inverse and complementary property of responding equally to dissimilar actions made by itself and others for an identical purpose. Here, we propose a hypothesis that these sets of inferior parietal neurons constitute a neural basis for encoding the semantic equivalence of various actions across different agents and contexts. The neurons have mirror neuron properties, and they encoded generalization of agents, differentiation of outcomes, and categorization of actions that led to common functions. By integrating the activities of these mirror neurons with various codings, we further suggest that in the ancestral primates' brains, these various representations of meaningful action led to the gradual establishment of equivalence relations among the different types of actions, by sharing common action semantics. Such differential codings of the components of actions might represent precursors to the parts of protolanguage, such as gestural communication, which are shared among various members of a society. Finally, we suggest that the inferior parietal cortex serves as an interface between this action semantics system and other higher semantic systems, through common structures of action representation that mimic language syntax.

Potential role of monkey inferior parietal neurons coding action semantic equivalences as precursors of parts of speech

PubMed Central

Yamazaki, Yumiko; Yokochi, Hiroko; Tanaka, Michio; Okanoya, Kazuo; Iriki, Atsushi

2010-01-01

The anterior portion of the inferior parietal cortex possesses comprehensive representations of actions embedded in behavioural contexts. Mirror neurons, which respond to both self-executed and observed actions, exist in this brain region in addition to those originally found in the premotor cortex. We found that parietal mirror neurons responded differentially to identical actions embedded in different contexts. Another type of parietal mirror neuron represents an inverse and complementary property of responding equally to dissimilar actions made by itself and others for an identical purpose. Here, we propose a hypothesis that these sets of inferior parietal neurons constitute a neural basis for encoding the semantic equivalence of various actions across different agents and contexts. The neurons have mirror neuron properties, and they encoded generalization of agents, differentiation of outcomes, and categorization of actions that led to common functions. By integrating the activities of these mirror neurons with various codings, we further suggest that in the ancestral primates' brains, these various representations of meaningful action led to the gradual establishment of equivalence relations among the different types of actions, by sharing common action semantics. Such differential codings of the components of actions might represent precursors to the parts of protolanguage, such as gestural communication, which are shared among various members of a society. Finally, we suggest that the inferior parietal cortex serves as an interface between this action semantics system and other higher semantic systems, through common structures of action representation that mimic language syntax. PMID:20119879

Feature-Selective Attentional Modulations in Human Frontoparietal Cortex.

PubMed

Ester, Edward F; Sutterer, David W; Serences, John T; Awh, Edward

2016-08-03

Control over visual selection has long been framed in terms of a dichotomy between "source" and "site," where top-down feedback signals originating in frontoparietal cortical areas modulate or bias sensory processing in posterior visual areas. This distinction is motivated in part by observations that frontoparietal cortical areas encode task-level variables (e.g., what stimulus is currently relevant or what motor outputs are appropriate), while posterior sensory areas encode continuous or analog feature representations. Here, we present evidence that challenges this distinction. We used fMRI, a roving searchlight analysis, and an inverted encoding model to examine representations of an elementary feature property (orientation) across the entire human cortical sheet while participants attended either the orientation or luminance of a peripheral grating. Orientation-selective representations were present in a multitude of visual, parietal, and prefrontal cortical areas, including portions of the medial occipital cortex, the lateral parietal cortex, and the superior precentral sulcus (thought to contain the human homolog of the macaque frontal eye fields). Additionally, representations in many-but not all-of these regions were stronger when participants were instructed to attend orientation relative to luminance. Collectively, these findings challenge models that posit a strict segregation between sources and sites of attentional control on the basis of representational properties by demonstrating that simple feature values are encoded by cortical regions throughout the visual processing hierarchy, and that representations in many of these areas are modulated by attention. Influential models of visual attention posit a distinction between top-down control and bottom-up sensory processing networks. These models are motivated in part by demonstrations showing that frontoparietal cortical areas associated with top-down control represent abstract or categorical stimulus information, while visual areas encode parametric feature information. Here, we show that multivariate activity in human visual, parietal, and frontal cortical areas encode representations of a simple feature property (orientation). Moreover, representations in several (though not all) of these areas were modulated by feature-based attention in a similar fashion. These results provide an important challenge to models that posit dissociable top-down control and sensory processing networks on the basis of representational properties. Copyright © 2016 the authors 0270-6474/16/368188-12$15.00/0.

Learning with Multiple Representations: Extending Multimedia Learning beyond the Lab

ERIC Educational Resources Information Center

Eilam, Billie; Poyas, Yael

2008-01-01

The present study extended multimedia learning principles beyond the lab to an ecologically valid setting (homework). Eighteen information cards were used to perform three homework tasks. The control group students learned from single representation (SR) cards that presented all information as printed text. The multiple representation (MR) group…

Uncovering Mental Representations with Markov Chain Monte Carlo

ERIC Educational Resources Information Center

Sanborn, Adam N.; Griffiths, Thomas L.; Shiffrin, Richard M.

2010-01-01

A key challenge for cognitive psychology is the investigation of mental representations, such as object categories, subjective probabilities, choice utilities, and memory traces. In many cases, these representations can be expressed as a non-negative function defined over a set of objects. We present a behavioral method for estimating these…

All Numbers Are Not Equal: An Electrophysiological Investigation of Small and Large Number Representations

ERIC Educational Resources Information Center

Hyde, Daniel C.; Spelke, Elizabeth S.

2009-01-01

Behavioral and brain imaging research indicates that human infants, humans adults, and many nonhuman animals represent large nonsymbolic numbers approximately, discriminating between sets with a ratio limit on accuracy. Some behavioral evidence, especially with human infants, suggests that these representations differ from representations of small…

Set size, individuation, and attention to shape

PubMed Central

Cantrell, Lisa; Smith, Linda B.

2013-01-01

Much research has demonstrated a shape bias in categorizing and naming solid objects. This research has shown that when an entity is conceptualized as an individual object, adults and children attend to the object’s shape. Separate research in the domain of numerical cognition suggest that there are distinct processes for quantifying small and large sets of discrete items. This research shows that small set discrimination, comparison, and apprehension is often precise for 1–3 and sometimes 4 items; however, large numerosity representation is imprecise. Results from three experiments suggest a link between the processes for small and large number representation and the shape bias in a forced choice categorization task using naming and non-naming procedures. Experiment 1 showed that adults generalized a newly learned name for an object to new instances of the same shape only when those instances were presented in sets of less than 3 or 4. Experiment 2 showed that preschool children who were monolingual speakers of three different languages were also influenced by set size when categorizing objects in sets. Experiment 3 extended these results and showed the same effect in a non-naming task and when the novel noun was presented in a count-noun syntax frame. The results are discussed in terms of a relation between the precision of object representation and the precision of small and large number representation. PMID:23167969

Set size, individuation, and attention to shape.

PubMed

Cantrell, Lisa; Smith, Linda B

2013-02-01

Much research has demonstrated a shape bias in categorizing and naming solid objects. This research has shown that when an entity is conceptualized as an individual object, adults and children attend to the object's shape. Separate research in the domain of numerical cognition suggest that there are distinct processes for quantifying small and large sets of discrete items. This research shows that small set discrimination, comparison, and apprehension is often precise for 1-3 and sometimes 4 items; however, large numerosity representation is imprecise. Results from three experiments suggest a link between the processes for small and large number representation and the shape bias in a forced choice categorization task using naming and non-naming procedures. Experiment 1 showed that adults generalized a newly learned name for an object to new instances of the same shape only when those instances were presented in sets of less than 3 or 4. Experiment 2 showed that preschool children who were monolingual speakers of three different languages were also influenced by set size when categorizing objects in sets. Experiment 3 extended these results and showed the same effect in a non-naming task and when the novel noun was presented in a count-noun syntax frame. The results are discussed in terms of a relation between the precision of object representation and the precision of small and large number representation. Copyright © 2012 Elsevier B.V. All rights reserved.

A Review on Human Activity Recognition Using Vision-Based Method.

PubMed

Zhang, Shugang; Wei, Zhiqiang; Nie, Jie; Huang, Lei; Wang, Shuang; Li, Zhen

2017-01-01

Human activity recognition (HAR) aims to recognize activities from a series of observations on the actions of subjects and the environmental conditions. The vision-based HAR research is the basis of many applications including video surveillance, health care, and human-computer interaction (HCI). This review highlights the advances of state-of-the-art activity recognition approaches, especially for the activity representation and classification methods. For the representation methods, we sort out a chronological research trajectory from global representations to local representations, and recent depth-based representations. For the classification methods, we conform to the categorization of template-based methods, discriminative models, and generative models and review several prevalent methods. Next, representative and available datasets are introduced. Aiming to provide an overview of those methods and a convenient way of comparing them, we classify existing literatures with a detailed taxonomy including representation and classification methods, as well as the datasets they used. Finally, we investigate the directions for future research.

A Review on Human Activity Recognition Using Vision-Based Method

PubMed Central

Nie, Jie

2017-01-01

Human activity recognition (HAR) aims to recognize activities from a series of observations on the actions of subjects and the environmental conditions. The vision-based HAR research is the basis of many applications including video surveillance, health care, and human-computer interaction (HCI). This review highlights the advances of state-of-the-art activity recognition approaches, especially for the activity representation and classification methods. For the representation methods, we sort out a chronological research trajectory from global representations to local representations, and recent depth-based representations. For the classification methods, we conform to the categorization of template-based methods, discriminative models, and generative models and review several prevalent methods. Next, representative and available datasets are introduced. Aiming to provide an overview of those methods and a convenient way of comparing them, we classify existing literatures with a detailed taxonomy including representation and classification methods, as well as the datasets they used. Finally, we investigate the directions for future research. PMID:29065585

Self-Taught Learning Based on Sparse Autoencoder for E-Nose in Wound Infection Detection

PubMed Central

He, Peilin; Jia, Pengfei; Qiao, Siqi; Duan, Shukai

2017-01-01

For an electronic nose (E-nose) in wound infection distinguishing, traditional learning methods have always needed large quantities of labeled wound infection samples, which are both limited and expensive; thus, we introduce self-taught learning combined with sparse autoencoder and radial basis function (RBF) into the field. Self-taught learning is a kind of transfer learning that can transfer knowledge from other fields to target fields, can solve such problems that labeled data (target fields) and unlabeled data (other fields) do not share the same class labels, even if they are from entirely different distribution. In our paper, we obtain numerous cheap unlabeled pollutant gas samples (benzene, formaldehyde, acetone and ethylalcohol); however, labeled wound infection samples are hard to gain. Thus, we pose self-taught learning to utilize these gas samples, obtaining a basis vector θ. Then, using the basis vector θ, we reconstruct the new representation of wound infection samples under sparsity constraint, which is the input of classifiers. We compare RBF with partial least squares discriminant analysis (PLSDA), and reach a conclusion that the performance of RBF is superior to others. We also change the dimension of our data set and the quantity of unlabeled data to search the input matrix that produces the highest accuracy. PMID:28991154

Tests of the Grobner Basis Solution for Lightning Ground Flash Fraction Retrieval

NASA Technical Reports Server (NTRS)

Koshak, William; Solakiewicz, Richard; Attele, Rohan

2011-01-01

Satellite lightning imagers such as the NASA Tropical Rainfall Measuring Mission Lightning Imaging Sensor (TRMM/LIS) and the future GOES-R Geostationary Lightning Mapper (GLM) are designed to detect total lightning (ground flashes + cloud flashes). However, there is a desire to discriminate ground flashes from cloud flashes from the vantage point of space since this would enhance the overall information content of the satellite lightning data and likely improve its operational and scientific applications (e.g., in severe weather warning, lightning nitrogen oxides studies, and global electric circuit analyses). A Bayesian inversion method was previously introduced for retrieving the fraction of ground flashes in a set of flashes observed from a satellite lightning imager. The method employed a constrained mixed exponential distribution model to describe the lightning optical measurements. To obtain the optimum model parameters (one of which is the ground flash fraction), a scalar function was minimized by a numerical method. In order to improve this optimization, a Grobner basis solution was introduced to obtain analytic representations of the model parameters that serve as a refined initialization scheme to the numerical optimization. In this study, we test the efficacy of the Grobner basis initialization using actual lightning imager measurements and ground flash truth derived from the national lightning network.

A high level interface to SCOP and ASTRAL implemented in python.

PubMed

Casbon, James A; Crooks, Gavin E; Saqi, Mansoor A S

2006-01-10

Benchmarking algorithms in structural bioinformatics often involves the construction of datasets of proteins with given sequence and structural properties. The SCOP database is a manually curated structural classification which groups together proteins on the basis of structural similarity. The ASTRAL compendium provides non redundant subsets of SCOP domains on the basis of sequence similarity such that no two domains in a given subset share more than a defined degree of sequence similarity. Taken together these two resources provide a 'ground truth' for assessing structural bioinformatics algorithms. We present a small and easy to use API written in python to enable construction of datasets from these resources. We have designed a set of python modules to provide an abstraction of the SCOP and ASTRAL databases. The modules are designed to work as part of the Biopython distribution. Python users can now manipulate and use the SCOP hierarchy from within python programs, and use ASTRAL to return sequences of domains in SCOP, as well as clustered representations of SCOP from ASTRAL. The modules make the analysis and generation of datasets for use in structural genomics easier and more principled.

Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals

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

Kutepov, A. L.; Oudovenko, V. S.; Kotliar, G.

We present a code implementing the linearized self-consistent quasiparticle GW method (QSGW) in the LAPW basis. Our approach is based on the linearization of the self-energy around zero frequency which differs it from the existing implementations of the QSGW method. The linearization allows us to use Matsubara frequencies instead of working on the real axis. This results in efficiency gains by switching to the imaginary time representation in the same way as in the space time method. The all electron LAPW basis set eliminates the need for pseudopotentials. We discuss the advantages of our approach, such as its N 3more » scaling with the system size N, as well as its shortcomings. We apply our approach to study the electronic properties of selected semiconductors, insulators, and simple metals and show that our code produces the results very close to the previously published QSGW data. Our implementation is a good platform for further many body diagrammatic resummations such as the vertex-corrected GW approach and the GW+DMFT method.« less

Determining building interior structures using compressive sensing

NASA Astrophysics Data System (ADS)

Lagunas, Eva; Amin, Moeness G.; Ahmad, Fauzia; Nájar, Montse

2013-04-01

We consider imaging of the building interior structures using compressive sensing (CS) with applications to through-the-wall imaging and urban sensing. We consider a monostatic synthetic aperture radar imaging system employing stepped frequency waveform. The proposed approach exploits prior information of building construction practices to form an appropriate sparse representation of the building interior layout. We devise a dictionary of possible wall locations, which is consistent with the fact that interior walls are typically parallel or perpendicular to the front wall. The dictionary accounts for the dominant normal angle reflections from exterior and interior walls for the monostatic imaging system. CS is applied to a reduced set of observations to recover the true positions of the walls. Additional information about interior walls can be obtained using a dictionary of possible corner reflectors, which is the response of the junction of two walls. Supporting results based on simulation and laboratory experiments are provided. It is shown that the proposed sparsifying basis outperforms the conventional through-the-wall CS model, the wavelet sparsifying basis, and the block sparse model for building interior layout detection.

Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals

DOE PAGES

Kutepov, A. L.; Oudovenko, V. S.; Kotliar, G.

2017-06-23

We present a code implementing the linearized self-consistent quasiparticle GW method (QSGW) in the LAPW basis. Our approach is based on the linearization of the self-energy around zero frequency which differs it from the existing implementations of the QSGW method. The linearization allows us to use Matsubara frequencies instead of working on the real axis. This results in efficiency gains by switching to the imaginary time representation in the same way as in the space time method. The all electron LAPW basis set eliminates the need for pseudopotentials. We discuss the advantages of our approach, such as its N 3more » scaling with the system size N, as well as its shortcomings. We apply our approach to study the electronic properties of selected semiconductors, insulators, and simple metals and show that our code produces the results very close to the previously published QSGW data. Our implementation is a good platform for further many body diagrammatic resummations such as the vertex-corrected GW approach and the GW+DMFT method.« less

Spatial Bayesian Latent Factor Regression Modeling of Coordinate-based Meta-analysis Data

PubMed Central

Montagna, Silvia; Wager, Tor; Barrett, Lisa Feldman; Johnson, Timothy D.; Nichols, Thomas E.

2017-01-01

Summary Now over 20 years old, functional MRI (fMRI) has a large and growing literature that is best synthesised with meta-analytic tools. As most authors do not share image data, only the peak activation coordinates (foci) reported in the paper are available for Coordinate-Based Meta-Analysis (CBMA). Neuroimaging meta-analysis is used to 1) identify areas of consistent activation; and 2) build a predictive model of task type or cognitive process for new studies (reverse inference). To simultaneously address these aims, we propose a Bayesian point process hierarchical model for CBMA. We model the foci from each study as a doubly stochastic Poisson process, where the study-specific log intensity function is characterised as a linear combination of a high-dimensional basis set. A sparse representation of the intensities is guaranteed through latent factor modeling of the basis coefficients. Within our framework, it is also possible to account for the effect of study-level covariates (meta-regression), significantly expanding the capabilities of the current neuroimaging meta-analysis methods available. We apply our methodology to synthetic data and neuroimaging meta-analysis datasets. PMID:28498564

GRACE L1b inversion through a self-consistent modified radial basis function approach

NASA Astrophysics Data System (ADS)

Yang, Fan; Kusche, Juergen; Rietbroek, Roelof; Eicker, Annette

2016-04-01

Implementing a regional geopotential representation such as mascons or, more general, RBFs (radial basis functions) has been widely accepted as an efficient and flexible approach to recover the gravity field from GRACE (Gravity Recovery and Climate Experiment), especially at higher latitude region like Greenland. This is since RBFs allow for regionally specific regularizations over areas which have sufficient and dense GRACE observations. Although existing RBF solutions show a better resolution than classical spherical harmonic solutions, the applied regularizations cause spatial leakage which should be carefully dealt with. It has been shown that leakage is a main error source which leads to an evident underestimation of yearly trend of ice-melting over Greenland. Unlike some popular post-processing techniques to mitigate leakage signals, this study, for the first time, attempts to reduce the leakage directly in the GRACE L1b inversion by constructing an innovative modified (MRBF) basis in place of the standard RBFs to retrieve a more realistic temporal gravity signal along the coastline. Our point of departure is that the surface mass loading associated with standard RBF is smooth but disregards physical consistency between continental mass and passive ocean response. In this contribution, based on earlier work by Clarke et al.(2007), a physically self-consistent MRBF representation is constructed from standard RBFs, with the help of the sea level equation: for a given standard RBF basis, the corresponding MRBF basis is first obtained by keeping the surface load over the continent unchanged, but imposing global mass conservation and equilibrium response of the oceans. Then, the updated set of MRBFs as well as standard RBFs are individually employed as the basis function to determine the temporal gravity field from GRACE L1b data. In this way, in the MRBF GRACE solution, the passive (e.g. ice melting and land hydrology response) sea level is automatically separated from ocean dynamic effects, and our hypothesis is that in this way we improve the partitioning of the GRACE signals into land and ocean contributions along the coastline. In particular, we inspect the ice-melting over Greenland from real GRACE data, and we evaluate the ability of the MRBF approach to recover true mass variations along the coastline. Finally, using independent measurements from multiple techniques including GPS vertical motion and altimetry, a validation will be presented to quantify to what extent it is possible to reduce the leakage through the MRBF approach.

Spatial Relation Predicates in Topographic Feature Semantics

USGS Publications Warehouse

Varanka, Dalia E.; Caro, Holly K.

2013-01-01

Topographic data are designed and widely used for base maps of diverse applications, yet the power of these information sources largely relies on the interpretive skills of map readers and relational database expert users once the data are in map or geographic information system (GIS) form. Advances in geospatial semantic technology offer data model alternatives for explicating concepts and articulating complex data queries and statements. To understand and enrich the vocabulary of topographic feature properties for semantic technology, English language spatial relation predicates were analyzed in three standard topographic feature glossaries. The analytical approach drew from disciplinary concepts in geography, linguistics, and information science. Five major classes of spatial relation predicates were identified from the analysis; representations for most of these are not widely available. The classes are: part-whole (which are commonly modeled throughout semantic and linked-data networks), geometric, processes, human intention, and spatial prepositions. These are commonly found in the ‘real world’ and support the environmental science basis for digital topographical mapping. The spatial relation concepts are based on sets of relation terms presented in this chapter, though these lists are not prescriptive or exhaustive. The results of this study make explicit the concepts forming a broad set of spatial relation expressions, which in turn form the basis for expanding the range of possible queries for topographical data analysis and mapping.

Spin Number Coherent States and the Problem of Two Coupled Oscillators

NASA Astrophysics Data System (ADS)

Ojeda-Guillén, D.; Mota, R. D.; Granados, V. D.

2015-07-01

From the definition of the standard Perelomov coherent states we introduce the Perelomov number coherent states for any su(2) Lie algebra. With the displacement operator we apply a similarity transformation to the su(2) generators and construct a new set of operators which also close the su(2) Lie algebra, being the Perelomov number coherent states the new basis for its unitary irreducible representation. We apply our results to obtain the energy spectrum, the eigenstates and the partition function of two coupled oscillators. We show that the eigenstates of two coupled oscillators are the SU(2) Perelomov number coherent states of the two-dimensional harmonic oscillator with an appropriate choice of the coherent state parameters. Supported by SNI-México, COFAA-IPN, EDD-IPN, EDI-IPN, SIP-IPN Project No. 20150935

Reaction schemes visualized in network form: the syntheses of strychnine as an example.

PubMed

Proudfoot, John R

2013-05-24

Representation of synthesis sequences in a network form provides an effective method for the comparison of multiple reaction schemes and an opportunity to emphasize features such as reaction scale that are often relegated to experimental sections. An example of data formatting that allows construction of network maps in Cytoscape is presented, along with maps that illustrate the comparison of multiple reaction sequences, comparison of scaffold changes within sequences, and consolidation to highlight common key intermediates used across sequences. The 17 different synthetic routes reported for strychnine are used as an example basis set. The reaction maps presented required a significant data extraction and curation, and a standardized tabular format for reporting reaction information, if applied in a consistent way, could allow the automated combination of reaction information across different sources.

Method of optimum channel switching in equipment of infocommunication network in conditions of cyber attacks to their telecommunication infrastructure.

NASA Astrophysics Data System (ADS)

Kochedykov, S. S.; Noev, A. N.; Dushkin, A. V.; Gubin, I. A.

2018-05-01

On the basis of the mathematical graph theory, the method of optimum switching of infocommunication networks in the conditions of cyber attacks is developed. The idea of representation of a set of possible ways on the graph in the form of the multilevel tree ordered by rules of algebra of a logic theory is the cornerstone of a method. As a criterion of optimization, the maximum of network transmission capacity to which assessment Ford- Falkerson's theorem is applied is used. The method is realized in the form of a numerical algorithm, which can be used not only for design, but also for operational management of infocommunication networks in conditions of violation of the functioning of their switching centers.

Potential energy surface and vibrational band origins of the triatomic lithium cation

NASA Astrophysics Data System (ADS)

Searles, Debra J.; Dunne, Simon J.; von Nagy-Felsobuki, Ellak I.

The 104 point CISD Li +3 potential energy surface and its analytical representation is reported. The calculations predict the minimum energy geometry to be an equilateral triangle of side RLiLi = 3.0 Å and of energy - 22.20506 E h. A fifth-order Morse—Dunham type analytical force field is used in the Carney—Porter normal co-ordinate vibrational Hamiltonian, the corresponding eigenvalue problem being solved variationally using a 560 configurational finite-element basis set. The predicted assignment of the vibrational band origins is in accord with that reported for H +3. Moreover, for 6Li +3 and 7Li +3 the lowest i.r. accessible band origin is the overlineν0,1,±1 predicted to be at 243.6 and 226.0 cm -1 respectively.

Is autism partly a consolidation disorder?

PubMed

Femia, Lisa A; Hasselmo, Michael E

2002-12-01

Computational modeling has been useful for understanding processes of encoding and consolidation in cortical structures. In particular, this work suggests a role of neuromodulators in setting dynamics for consolidation processes during different stages of waking and sleep. Because autistic individuals show symptoms of a cognitive nature coupled with a high prevalence of comorbid conditions such as epileptiform discharge during sleep and sleep disorders, it is possible that autism could involve a breakdown in consolidation processes, which are essential to build effective cognitive representations of the environment on the basis of individual experiences. In this article, theories of consolidation during different stages of waking and sleep and the role of different neuromodulators in these consolidation processes are reviewed in conjunction with different features of autism, which may be understood in the context of these theories.

Design of chemical space networks on the basis of Tversky similarity

NASA Astrophysics Data System (ADS)

Wu, Mengjun; Vogt, Martin; Maggiora, Gerald M.; Bajorath, Jürgen

2016-01-01

Chemical space networks (CSNs) have been introduced as a coordinate-free representation of chemical space. In CSNs, nodes represent compounds and edges pairwise similarity relationships. These network representations are mostly used to navigate sections of biologically relevant chemical space. Different types of CSNs have been designed on the basis of alternative similarity measures including continuous numerical similarity values or substructure-based similarity criteria. CSNs can be characterized and compared on the basis of statistical concepts from network science. Herein, a new CSN design is introduced that is based upon asymmetric similarity assessment using the Tversky coefficient and termed TV-CSN. Compared to other CSNs, TV-CSNs have unique features. While CSNs typically contain separate compound communities and exhibit small world character, many TV-CSNs are also scale-free in nature and contain hubs, i.e., extensively connected central compounds. Compared to other CSNs, these hubs are a characteristic of TV-CSN topology. Hub-containing compound communities are of particular interest for the exploration of structure-activity relationships.

Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces

NASA Astrophysics Data System (ADS)

Bajaj, Pushp; Wang, Xiao-Gang; Carrington, Tucker; Paesani, Francesco

2018-03-01

Full-dimensional vibrational spectra are calculated for both X-(H2O) and X-(D2O) dimers (X = F, Cl, Br, I) at the quantum-mechanical level. The calculations are carried out on two sets of recently developed potential energy functions (PEFs), namely, Thole-type model energy (TTM-nrg) and many-body energy (MB-nrg), using the symmetry-adapted Lanczos algorithm with a product basis set including all six vibrational coordinates. Although both TTM-nrg and MB-nrg PEFs are derived from coupled-cluster single double triple-F12 data obtained in the complete basis set limit, they differ in how many-body effects are represented at short range. Specifically, while both models describe long-range interactions through the combination of two-body dispersion and many-body classical electrostatics, the relatively simple Born-Mayer functions employed in the TTM-nrg PEFs to represent short-range interactions are replaced in the MB-nrg PEFs by permutationally invariant polynomials to achieve chemical accuracy. For all dimers, the MB-nrg vibrational spectra are in close agreement with the available experimental data, correctly reproducing anharmonic and nuclear quantum effects. In contrast, the vibrational frequencies calculated with the TTM-nrg PEFs exhibit significant deviations from the experimental values. The comparison between the TTM-nrg and MB-nrg results thus reinforces the notion that an accurate representation of both short-range interactions associated with electron density overlap and long-range many-body electrostatic interactions is necessary for a correct description of hydration phenomena at the molecular level.

Visualization of diversity in large multivariate data sets.

PubMed

Pham, Tuan; Hess, Rob; Ju, Crystal; Zhang, Eugene; Metoyer, Ronald

2010-01-01

Understanding the diversity of a set of multivariate objects is an important problem in many domains, including ecology, college admissions, investing, machine learning, and others. However, to date, very little work has been done to help users achieve this kind of understanding. Visual representation is especially appealing for this task because it offers the potential to allow users to efficiently observe the objects of interest in a direct and holistic way. Thus, in this paper, we attempt to formalize the problem of visualizing the diversity of a large (more than 1000 objects), multivariate (more than 5 attributes) data set as one worth deeper investigation by the information visualization community. In doing so, we contribute a precise definition of diversity, a set of requirements for diversity visualizations based on this definition, and a formal user study design intended to evaluate the capacity of a visual representation for communicating diversity information. Our primary contribution, however, is a visual representation, called the Diversity Map, for visualizing diversity. An evaluation of the Diversity Map using our study design shows that users can judge elements of diversity consistently and as or more accurately than when using the only other representation specifically designed to visualize diversity.

Searching while loaded: Visual working memory does not interfere with hybrid search efficiency but hybrid search uses working memory capacity.

PubMed

Drew, Trafton; Boettcher, Sage E P; Wolfe, Jeremy M

2016-02-01

In "hybrid search" tasks, such as finding items on a grocery list, one must search the scene for targets while also searching the list in memory. How is the representation of a visual item compared with the representations of items in the memory set? Predominant theories would propose a role for visual working memory (VWM) either as the site of the comparison or as a conduit between visual and memory systems. In seven experiments, we loaded VWM in different ways and found little or no effect on hybrid search performance. However, the presence of a hybrid search task did reduce the measured capacity of VWM by a constant amount regardless of the size of the memory or visual sets. These data are broadly consistent with an account in which VWM must dedicate a fixed amount of its capacity to passing visual representations to long-term memory for comparison to the items in the memory set. The data cast doubt on models in which the search template resides in VWM or where memory set item representations are moved from LTM through VWM to earlier areas for comparison to visual items.

The best of both Reps—Diabatized Gaussians on adiabatic surfaces

NASA Astrophysics Data System (ADS)

Meek, Garrett A.; Levine, Benjamin G.

2016-11-01

When simulating nonadiabatic molecular dynamics, choosing an electronic representation requires consideration of well-known trade-offs. The uniqueness and spatially local couplings of the adiabatic representation come at the expense of an electronic wave function that changes discontinuously with nuclear motion and associated singularities in the nonadiabatic coupling matrix elements. The quasi-diabatic representation offers a smoothly varying wave function and finite couplings, but identification of a globally well-behaved quasi-diabatic representation is a system-specific challenge. In this work, we introduce the diabatized Gaussians on adiabatic surfaces (DGAS) approximation, a variant of the ab initio multiple spawning (AIMS) method that preserves the advantages of both electronic representations while avoiding their respective pitfalls. The DGAS wave function is expanded in a basis of vibronic functions that are continuous in both electronic and nuclear coordinates, but potentially discontinuous in time. Because the time-dependent Schrödinger equation contains only first-order derivatives with respect to time, singularities in the second-derivative nonadiabatic coupling terms (i.e., diagonal Born-Oppenheimer correction; DBOC) at conical intersections are rigorously absent, though singular time-derivative couplings remain. Interpolation of the electronic wave function allows the accurate prediction of population transfer probabilities even in the presence of the remaining singularities. We compare DGAS calculations of the dynamics of photoexcited ethene to AIMS calculations performed in the adiabatic representation, including the DBOC. The 28 fs excited state lifetime observed in DGAS simulations is considerably shorter than the 50 fs lifetime observed in the adiabatic simulations. The slower decay in the adiabatic representation is attributable to the large, repulsive DBOC in the neighborhood of conical intersections. These repulsive DBOC terms are artifacts of the discontinuities in the individual adiabatic vibronic basis functions and therefore cannot reflect the behavior of the exact molecular wave function, which must be continuous.

Yangians and Yang-Baxter R-operators for ortho-symplectic superalgebras

NASA Astrophysics Data System (ADS)

Fuksa, J.; Isaev, A. P.; Karakhanyan, D.; Kirschner, R.

2017-04-01

Yang-Baxter relations symmetric with respect to the ortho-symplectic superalgebras are studied. We start with the formulation of graded algebras and the linear superspace carrying the vector (fundamental) representation of the ortho-symplectic supergroup. On this basis we study the analogy of the Yang-Baxter operators considered earlier for the cases of orthogonal and symplectic symmetries: the vector (fundamental) R-matrix, the L-operator defining the Yangian algebra and its first and second order evaluations. We investigate the condition for L (u) in the case of the truncated expansion in inverse powers of u and give examples of Lie algebra representations obeying these conditions. We construct the R-operator intertwining two superspinor representations and study the fusion of L-operators involving the tensor product of such representations.

The Emergence of a Novel Representation from Action: Evidence from Preschoolers

ERIC Educational Resources Information Center

Boncoddo, Rebecca; Dixon, James A.; Kelley, Elizabeth

2010-01-01

Recent work in embodied cognition has proposed that representations and actions are inextricably linked. The current study examines a developmental account of this relationship. Specifically, we propose that children's actions are foundational for novel representations. Thirty-two preschoolers, aged 3.4 to 5.7 years, were asked to solve a set of…

A "Natural Experiment" in Childrearing Ecologies and Adolescents' Attachment and Separation Representations.

ERIC Educational Resources Information Center

Scharf, Miri

2001-01-01

Explored long-term effects of different childrearing contexts on attachment and separation representations of Israeli 16- to 18-year-olds. Found that adolescents raised in a kibbutz communal setting showed higher incidence of nonautonomous attachment representations and less competent coping with imagined separations than adolescents raised in a…

A representational basis for the development of a distributed expert system for Space Shuttle flight control

NASA Technical Reports Server (NTRS)

Helly, J. J., Jr.; Bates, W. V.; Cutler, M.; Kelem, S.

1984-01-01

A new representation of malfunction procedure logic which permits the automation of these procedures using Boolean normal forms is presented. This representation is discussed in the context of the development of an expert system for space shuttle flight control including software and hardware implementation modes, and a distributed architecture. The roles and responsibility of the flight control team as well as previous work toward the development of expert systems for flight control support at Johnson Space Center are discussed. The notion of malfunction procedures as graphs is introduced as well as the concept of hardware-equivalence.

Body representation in patients after vascular brain injuries.

PubMed

Razmus, Magdalena

2017-11-01

Neuropsychological literature suggests that body representation is a multidimensional concept consisting of various types of representations. Previous studies have demonstrated dissociations between three types of body representation specified by the kind of data and processes, i.e. body schema, body structural description, and body semantics. The aim of the study was to describe the state of body representation in patients after vascular brain injuries and to provide evidence for the different types of body representation. The question about correlations between body representation deficits and neuropsychological dysfunctions was also investigated. Fifty patients after strokes and 50 control individuals participated in the study. They were examined with tasks referring to dynamic representation of body parts positions, topological body map, and lexical and semantic knowledge about the body. Data analysis showed that vascular brain injuries result in deficits of body representation, which may co-occur with cognitive dysfunctions, but the latter are a possible risk factor for body representation deficits rather than sufficient or imperative requisites for them. The study suggests that types of body representation may be separated on the basis not only of their content, but also of their relation with self. Principal component analysis revealed three factors, which explained over 66% of results variance. The factors, which may be interpreted as types or dimensions of mental model of a body, represent different degrees of connection with self. The results indicate another possibility of body representation types classification, which should be verified in future research.

VLSI architectures for computing multiplications and inverses in GF(2m)

NASA Technical Reports Server (NTRS)

Wang, C. C.; Truong, T. K.; Shao, H. M.; Deutsch, L. J.; Omura, J. K.

1985-01-01

Finite field arithmetic logic is central in the implementation of Reed-Solomon coders and in some cryptographic algorithms. There is a need for good multiplication and inversion algorithms that are easily realized on VLSI chips. Massey and Omura recently developed a new multiplication algorithm for Galois fields based on a normal basis representation. A pipeline structure is developed to realize the Massey-Omura multiplier in the finite field GF(2m). With the simple squaring property of the normal-basis representation used together with this multiplier, a pipeline architecture is also developed for computing inverse elements in GF(2m). The designs developed for the Massey-Omura multiplier and the computation of inverse elements are regular, simple, expandable and, therefore, naturally suitable for VLSI implementation.

VLSI architectures for computing multiplications and inverses in GF(2-m)

NASA Technical Reports Server (NTRS)

Wang, C. C.; Truong, T. K.; Shao, H. M.; Deutsch, L. J.; Omura, J. K.; Reed, I. S.

1983-01-01

Finite field arithmetic logic is central in the implementation of Reed-Solomon coders and in some cryptographic algorithms. There is a need for good multiplication and inversion algorithms that are easily realized on VLSI chips. Massey and Omura recently developed a new multiplication algorithm for Galois fields based on a normal basis representation. A pipeline structure is developed to realize the Massey-Omura multiplier in the finite field GF(2m). With the simple squaring property of the normal-basis representation used together with this multiplier, a pipeline architecture is also developed for computing inverse elements in GF(2m). The designs developed for the Massey-Omura multiplier and the computation of inverse elements are regular, simple, expandable and, therefore, naturally suitable for VLSI implementation.

VLSI architectures for computing multiplications and inverses in GF(2m).

PubMed

Wang, C C; Truong, T K; Shao, H M; Deutsch, L J; Omura, J K; Reed, I S

1985-08-01

Finite field arithmetic logic is central in the implementation of Reed-Solomon coders and in some cryptographic algorithms. There is a need for good multiplication and inversion algorithms that can be easily realized on VLSI chips. Massey and Omura recently developed a new multiplication algorithm for Galois fields based on a normal basis representation. In this paper, a pipeline structure is developed to realize the Massey-Omura multiplier in the finite field GF(2m). With the simple squaring property of the normal basis representation used together with this multiplier, a pipeline architecture is developed for computing inverse elements in GF(2m). The designs developed for the Massey-Omura multiplier and the computation of inverse elements are regular, simple, expandable, and therefore, naturally suitable for VLSI implementation.

Correlation consistent basis sets for the atoms In–Xe

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

Mahler, Andrew; Wilson, Angela K., E-mail: akwilson@unt.edu

In this work, the correlation consistent family of Gaussian basis sets has been expanded to include all-electron basis sets for In–Xe. The methodology for developing these basis sets is described, and several examples of the performance and utility of the new sets have been provided. Dissociation energies and bond lengths for both homonuclear and heteronuclear diatomics demonstrate the systematic convergence behavior with respect to increasing basis set quality expected by the family of correlation consistent basis sets in describing molecular properties. Comparison with recently developed correlation consistent sets designed for use with the Douglas-Kroll Hamiltonian is provided.

Fractals, Fuzzy Sets And Image Representation

NASA Astrophysics Data System (ADS)

Dodds, D. R.

1988-10-01

This paper addresses some uses of fractals, fuzzy sets and image representation as it pertains to robotic grip planning and autonomous vehicle navigation AVN. The robot/vehicle is assumed to be equipped with multimodal sensors including ultrashort pulse imaging laser rangefinder. With a temporal resolution of 50 femtoseconds a time of flight laser rangefinder can resolve distances within approximately half an inch or 1.25 centimeters. (Fujimoto88)

Visualization of a Large Set of Hydrogen Atomic Orbital Contours Using New and Expanded Sets of Parametric Equations

ERIC Educational Resources Information Center

Rhile, Ian J.

2014-01-01

Atomic orbitals are a theme throughout the undergraduate chemistry curriculum, and visualizing them has been a theme in this journal. Contour plots as isosurfaces or contour lines in a plane are the most familiar representations of the hydrogen wave functions. In these representations, a surface of a fixed value of the wave function ? is plotted…

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2010-04-02

... Composite International Fund, Ltd. (the DE Shaw Fund), a hedge fund organized outside the United States, to... applicant has requested a change in representation 1, as set forth in the SFR on page 58997, column 2, lines... in the third paragraph of representation 3, as set forth in the SFR on page 58997, column 3, lines 7...

The categorical structure of semantic memory for famous people: a new approach using release from proactive interference.

PubMed

Darling, Stephen; Valentine, Tim

2005-05-01

Memory for familiar people is essential to understand their identity and guide social interaction. Nevertheless, we know surprisingly little about the structure of such memory. Previous research has assumed that semantic memory for people has a categorical structure, but recently it was proposed that memory for people consists only of associations and lacks any categorical structure. Four experiments are reported that use a novel approach by adapting the 'release from proactive interference' (RPI) methodology for use with lists of famous names. Proactive interference occurs when items presented on successive trials are drawn from the same category. Recall can improve following a change to a different category. Sets of names were selected relating to aspects previously demonstrated, on the basis of reaction time data, to form a category (occupation) and a property (nationality) of celebrities (Johnston & Bruce, 1990). RPI was observed for a change at both levels of representation but was only present without explicitly cueing the change of set when the stimuli differed at the category level. At the property level, RPI was only evident when change of set was explicitly cued. RPI was absent at the set change in a novel, ad hoc distinction suggesting that the effect reflected the underlying memory structure.

Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation

NASA Astrophysics Data System (ADS)

Benner, Peter; Dolgov, Sergey; Khoromskaia, Venera; Khoromskij, Boris N.

2017-04-01

In this paper, we propose and study two approaches to approximate the solution of the Bethe-Salpeter equation (BSE) by using structured iterative eigenvalue solvers. Both approaches are based on the reduced basis method and low-rank factorizations of the generating matrices. We also propose to represent the static screen interaction part in the BSE matrix by a small active sub-block, with a size balancing the storage for rank-structured representations of other matrix blocks. We demonstrate by various numerical tests that the combination of the diagonal plus low-rank plus reduced-block approximation exhibits higher precision with low numerical cost, providing as well a distinct two-sided error estimate for the smallest eigenvalues of the Bethe-Salpeter operator. The complexity is reduced to O (Nb2) in the size of the atomic orbitals basis set, Nb, instead of the practically intractable O (Nb6) scaling for the direct diagonalization. In the second approach, we apply the quantized-TT (QTT) tensor representation to both, the long eigenvectors and the column vectors in the rank-structured BSE matrix blocks, and combine this with the ALS-type iteration in block QTT format. The QTT-rank of the matrix entities possesses almost the same magnitude as the number of occupied orbitals in the molecular systems, No

7 CFR 924.26 - Vacancies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... an alternate member of the committee to qualify, or in the event of the death, removal, resignation... vacancy without regard to nominations, which selection shall be made on the basis of representation...

7 CFR 929.26 - Vacancies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... member of the committee to qualify, or in the event of the death, removal, resignation, or... regard to nominations, which selection shall be made on the basis of representation provided for in...

Using an iterative eigensolver to compute vibrational energies with phase-spaced localized basis functions.

PubMed

Brown, James; Carrington, Tucker

2015-07-28

Although phase-space localized Gaussians are themselves poor basis functions, they can be used to effectively contract a discrete variable representation basis [A. Shimshovitz and D. J. Tannor, Phys. Rev. Lett. 109, 070402 (2012)]. This works despite the fact that elements of the Hamiltonian and overlap matrices labelled by discarded Gaussians are not small. By formulating the matrix problem as a regular (i.e., not a generalized) matrix eigenvalue problem, we show that it is possible to use an iterative eigensolver to compute vibrational energy levels in the Gaussian basis.

Training models of anatomic shape variability

PubMed Central

Merck, Derek; Tracton, Gregg; Saboo, Rohit; Levy, Joshua; Chaney, Edward; Pizer, Stephen; Joshi, Sarang

2008-01-01

Learning probability distributions of the shape of anatomic structures requires fitting shape representations to human expert segmentations from training sets of medical images. The quality of statistical segmentation and registration methods is directly related to the quality of this initial shape fitting, yet the subject is largely overlooked or described in an ad hoc way. This article presents a set of general principles to guide such training. Our novel method is to jointly estimate both the best geometric model for any given image and the shape distribution for the entire population of training images by iteratively relaxing purely geometric constraints in favor of the converging shape probabilities as the fitted objects converge to their target segmentations. The geometric constraints are carefully crafted both to obtain legal, nonself-interpenetrating shapes and to impose the model-to-model correspondences required for useful statistical analysis. The paper closes with example applications of the method to synthetic and real patient CT image sets, including same patient male pelvis and head and neck images, and cross patient kidney and brain images. Finally, we outline how this shape training serves as the basis for our approach to IGRT∕ART. PMID:18777919

Quantifying the Relationships among Drug Classes

PubMed Central

Hert, Jérôme; Keiser, Michael J.; Irwin, John J.; Oprea, Tudor I.; Shoichet, Brian K.

2009-01-01

The similarity of drug targets is typically measured using sequence or structural information. Here, we consider chemo-centric approaches that measure target similarity on the basis of their ligands, asking how chemoinformatics similarities differ from those derived bioinformatically, how stable the ligand networks are to changes in chemoinformatics metrics, and which network is the most reliable for prediction of pharmacology. We calculated the similarities between hundreds of drug targets and their ligands and mapped the relationship between them in a formal network. Bioinformatics networks were based on the BLAST similarity between sequences, while chemoinformatics networks were based on the ligand-set similarities calculated with either the Similarity Ensemble Approach (SEA) or a method derived from Bayesian statistics. By multiple criteria, bioinformatics and chemoinformatics networks differed substantially, and only occasionally did a high sequence similarity correspond to a high ligand-set similarity. In contrast, the chemoinformatics networks were stable to the method used to calculate the ligand-set similarities and to the chemical representation of the ligands. Also, the chemoinformatics networks were more natural and more organized, by network theory, than their bioinformatics counterparts: ligand-based networks were found to be small-world and broad-scale. PMID:18335977

Building Hierarchical Representations for Oracle Character and Sketch Recognition.

PubMed

Jun Guo; Changhu Wang; Roman-Rangel, Edgar; Hongyang Chao; Yong Rui

2016-01-01

In this paper, we study oracle character recognition and general sketch recognition. First, a data set of oracle characters, which are the oldest hieroglyphs in China yet remain a part of modern Chinese characters, is collected for analysis. Second, typical visual representations in shape- and sketch-related works are evaluated. We analyze the problems suffered when addressing these representations and determine several representation design criteria. Based on the analysis, we propose a novel hierarchical representation that combines a Gabor-related low-level representation and a sparse-encoder-related mid-level representation. Extensive experiments show the effectiveness of the proposed representation in both oracle character recognition and general sketch recognition. The proposed representation is also complementary to convolutional neural network (CNN)-based models. We introduce a solution to combine the proposed representation with CNN-based models, and achieve better performances over both approaches. This solution has beaten humans at recognizing general sketches.

Numerical Integration Techniques for Curved-Element Discretizations of Molecule–Solvent Interfaces

PubMed Central

Bardhan, Jaydeep P.; Altman, Michael D.; Willis, David J.; Lippow, Shaun M.; Tidor, Bruce; White, Jacob K.

2012-01-01

Surface formulations of biophysical modeling problems offer attractive theoretical and computational properties. Numerical simulations based on these formulations usually begin with discretization of the surface under consideration; often, the surface is curved, possessing complicated structure and possibly singularities. Numerical simulations commonly are based on approximate, rather than exact, discretizations of these surfaces. To assess the strength of the dependence of simulation accuracy on the fidelity of surface representation, we have developed methods to model several important surface formulations using exact surface discretizations. Following and refining Zauhar’s work (J. Comp.-Aid. Mol. Des. 9:149-159, 1995), we define two classes of curved elements that can exactly discretize the van der Waals, solvent-accessible, and solvent-excluded (molecular) surfaces. We then present numerical integration techniques that can accurately evaluate nonsingular and singular integrals over these curved surfaces. After validating the exactness of the surface discretizations and demonstrating the correctness of the presented integration methods, we present a set of calculations that compare the accuracy of approximate, planar-triangle-based discretizations and exact, curved-element-based simulations of surface-generalized-Born (sGB), surface-continuum van der Waals (scvdW), and boundary-element method (BEM) electrostatics problems. Results demonstrate that continuum electrostatic calculations with BEM using curved elements, piecewise-constant basis functions, and centroid collocation are nearly ten times more accurate than planartriangle BEM for basis sets of comparable size. The sGB and scvdW calculations give exceptional accuracy even for the coarsest obtainable discretized surfaces. The extra accuracy is attributed to the exact representation of the solute–solvent interface; in contrast, commonly used planar-triangle discretizations can only offer improved approximations with increasing discretization and associated increases in computational resources. The results clearly demonstrate that our methods for approximate integration on an exact geometry are far more accurate than exact integration on an approximate geometry. A MATLAB implementation of the presented integration methods and sample data files containing curved-element discretizations of several small molecules are available online at http://web.mit.edu/tidor. PMID:17627358

77 FR 59995 - Self-Regulatory Organizations; NYSE Arca, Inc.; Notice of Filing of Proposed Rule Change Amending...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-01

... fair representation of its members in the selection of its directors and administration of its affairs... boards thus are sometimes referred to as ``fair representation directors.'' NYSE Arca Rule 3.2 sets forth.... 78f(b)(3). The Exchange proposes to expand the eligibility for fair representation directors to...

Calculus Students' Representation Use in Group-Work and Individual Settings

ERIC Educational Resources Information Center

Zazkis, Dov

2013-01-01

The study of student representation use and specifically the distinction between analytic and visual representations has fueled a long line of mathematics education literature that began more than 35 years ago. This literature can be partitioned into two bodies of work, one that is primarily cognitive and one that is primarily social. In spite of…

Neural Representation. A Survey-Based Analysis of the Notion

PubMed Central

Vilarroya, Oscar

2017-01-01

The word representation (as in “neural representation”), and many of its related terms, such as to represent, representational and the like, play a central explanatory role in neuroscience literature. For instance, in “place cell” literature, place cells are extensively associated with their role in “the representation of space.” In spite of its extended use, we still lack a clear, universal and widely accepted view on what it means for a nervous system to represent something, on what makes a neural activity a representation, and on what is re-presented. The lack of a theoretical foundation and definition of the notion has not hindered actual research. My aim here is to identify how active scientists use the notion of neural representation, and eventually to list a set of criteria, based on actual use, that can help in distinguishing between genuine or non-genuine neural-representation candidates. In order to attain this objective, I present first the results of a survey of authors within two domains, place-cell and multivariate pattern analysis (MVPA) research. Based on the authors’ replies, and on a review of neuroscientific research, I outline a set of common properties that an account of neural representation seems to require. I then apply these properties to assess the use of the notion in two domains of the survey, place-cell and MVPA studies. I conclude by exploring a shift in the notion of representation suggested by recent literature. PMID:28900406

A new transform for the analysis of complex fractionated atrial electrograms

PubMed Central

2011-01-01

Background Representation of independent biophysical sources using Fourier analysis can be inefficient because the basis is sinusoidal and general. When complex fractionated atrial electrograms (CFAE) are acquired during atrial fibrillation (AF), the electrogram morphology depends on the mix of distinct nonsinusoidal generators. Identification of these generators using efficient methods of representation and comparison would be useful for targeting catheter ablation sites to prevent arrhythmia reinduction. Method A data-driven basis and transform is described which utilizes the ensemble average of signal segments to identify and distinguish CFAE morphologic components and frequencies. Calculation of the dominant frequency (DF) of actual CFAE, and identification of simulated independent generator frequencies and morphologies embedded in CFAE, is done using a total of 216 recordings from 10 paroxysmal and 10 persistent AF patients. The transform is tested versus Fourier analysis to detect spectral components in the presence of phase noise and interference. Correspondence is shown between ensemble basis vectors of highest power and corresponding synthetic drivers embedded in CFAE. Results The ensemble basis is orthogonal, and efficient for representation of CFAE components as compared with Fourier analysis (p ≤ 0.002). When three synthetic drivers with additive phase noise and interference were decomposed, the top three peaks in the ensemble power spectrum corresponded to the driver frequencies more closely as compared with top Fourier power spectrum peaks (p ≤ 0.005). The synthesized drivers with phase noise and interference were extractable from their corresponding ensemble basis with a mean error of less than 10%. Conclusions The new transform is able to efficiently identify CFAE features using DF calculation and by discerning morphologic differences. Unlike the Fourier transform method, it does not distort CFAE signals prior to analysis, and is relatively robust to jitter in periodic events. Thus the ensemble method can provide a useful alternative for quantitative characterization of CFAE during clinical study. PMID:21569421

Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

NASA Astrophysics Data System (ADS)

Witte, Jonathon; Neaton, Jeffrey B.; Head-Gordon, Martin

2016-05-01

With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methods and systems examined, the most complete basis is Jensen's pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.

Analysis of Complexity Evolution Management and Human Performance Issues in Commercial Aircraft Automation Systems

NASA Technical Reports Server (NTRS)

Vakil, Sanjay S.; Hansman, R. John

2000-01-01

Autoflight systems in the current generation of aircraft have been implicated in several recent incidents and accidents. A contributory aspect to these incidents may be the manner in which aircraft transition between differing behaviours or 'modes.' The current state of aircraft automation was investigated and the incremental development of the autoflight system was tracked through a set of aircraft to gain insight into how these systems developed. This process appears to have resulted in a system without a consistent global representation. In order to evaluate and examine autoflight systems, a 'Hybrid Automation Representation' (HAR) was developed. This representation was used to examine several specific problems known to exist in aircraft systems. Cyclomatic complexity is an analysis tool from computer science which counts the number of linearly independent paths through a program graph. This approach was extended to examine autoflight mode transitions modelled with the HAR. A survey was conducted of pilots to identify those autoflight mode transitions which airline pilots find difficult. The transitions identified in this survey were analyzed using cyclomatic complexity to gain insight into the apparent complexity of the autoflight system from the perspective of the pilot. Mode transitions which had been identified as complex by pilots were found to have a high cyclomatic complexity. Further examination was made into a set of specific problems identified in aircraft: the lack of a consistent representation of automation, concern regarding appropriate feedback from the automation, and the implications of physical limitations on the autoflight systems. Mode transitions involved in changing to and leveling at a new altitude were identified across multiple aircraft by numerous pilots. Where possible, evaluation and verification of the behaviour of these autoflight mode transitions was investigated via aircraft-specific high fidelity simulators. Three solution approaches to concerns regarding autoflight systems, and mode transitions in particular, are presented in this thesis. The first is to use training to modify pilot behaviours, or procedures to work around known problems. The second approach is to mitigate problems by enhancing feedback. The third approach is to modify the process by which automation is designed. The Operator Directed Process forces the consideration and creation of an automation model early in the design process for use as the basis of the software specification and training.

The sentient self.

PubMed

Craig, A D Bud

2010-06-01

This article addresses the neuroanatomical evidence for a progression of integrative representations of affective feelings from the body that lead to an ultimate representation of all feelings in the bilateral anterior insulae, or "the sentient self." Evidence for somatotopy in the primary interoceptive sensory cortex is presented, and the organization of the mid-insula and the anterior insula is discussed. Issues that need to be addressed are highlighted. A possible basis for subjectivity in a cinemascopic model of awareness is presented.

7 CFR 958.30 - Vacancies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... alternate, to qualify, or in the event of the death, removal, resignation, or disqualification of any... shall be made on the basis of the representation provided for in this subpart. Expenses and Assessments ...

7 CFR 923.26 - Vacancies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... committee to qualify, or in the event of the death, removal, resignation, or disqualification of any member..., which selection shall be made on the basis of representation provided for in § 923.20. ...

Nursing Minimum Data Set Based on EHR Archetypes Approach.

PubMed

Spigolon, Dandara N; Moro, Cláudia M C

2012-01-01

The establishment of a Nursing Minimum Data Set (NMDS) can facilitate the use of health information systems. The adoption of these sets and represent them based on archetypes are a way of developing and support health systems. The objective of this paper is to describe the definition of a minimum data set for nursing in endometriosis represent with archetypes. The study was divided into two steps: Defining the Nursing Minimum Data Set to endometriosis, and Development archetypes related to the NMDS. The nursing data set to endometriosis was represented in the form of archetype, using the whole perception of the evaluation item, organs and senses. This form of representation is an important tool for semantic interoperability and knowledge representation for health information systems.

Nursing Minimum Data Set Based on EHR Archetypes Approach

PubMed Central

Spigolon, Dandara N.; Moro, Cláudia M.C.

2012-01-01

The establishment of a Nursing Minimum Data Set (NMDS) can facilitate the use of health information systems. The adoption of these sets and represent them based on archetypes are a way of developing and support health systems. The objective of this paper is to describe the definition of a minimum data set for nursing in endometriosis represent with archetypes. The study was divided into two steps: Defining the Nursing Minimum Data Set to endometriosis, and Development archetypes related to the NMDS. The nursing data set to endometriosis was represented in the form of archetype, using the whole perception of the evaluation item, organs and senses. This form of representation is an important tool for semantic interoperability and knowledge representation for health information systems. PMID:24199126

The role of phonological alternation in speech production: evidence from Mandarin tone sandhi

PubMed Central

Politzer-Ahles, Stephen; Zhang, Jie

2014-01-01

We investigate the role of phonological alternation during speech production in Mandarin using implicit priming, a paradigm in which participants respond faster to words in sets that are phonologically homogeneous than in sets that are phonologically heterogeneous. We test whether priming is obtained when words in a set share the same tones at the underlying level but have different tones at the surface level-i.e., when the set includes a word that undergoes a phonological alternation which changes the tone. Sets that are heterogeneous at the surface level (in which the heterogeneity is due to a phonological operation) failed to elicit priming, as did sets that are heterogeneous at the underlying and surface levels (in which the heterogeneity is due to the lexical representations). This finding suggests that the phonological alternation was computed before the initiation of articulation, offering evidence that the progression from underlying phonological representations to articulatory execution may be mediated online by phonological input-to-output mapping. Furthermore, sets of words that are heterogeneous only at the surface level showed a different trend than sets of words that are heterogeneous at both levels, suggesting that both the surface and underlying levels of representation play a role during speech production. PMID:24967001

Identification of DNA-Binding Proteins Using Mixed Feature Representation Methods.

PubMed

Qu, Kaiyang; Han, Ke; Wu, Song; Wang, Guohua; Wei, Leyi

2017-09-22

DNA-binding proteins play vital roles in cellular processes, such as DNA packaging, replication, transcription, regulation, and other DNA-associated activities. The current main prediction method is based on machine learning, and its accuracy mainly depends on the features extraction method. Therefore, using an efficient feature representation method is important to enhance the classification accuracy. However, existing feature representation methods cannot efficiently distinguish DNA-binding proteins from non-DNA-binding proteins. In this paper, a multi-feature representation method, which combines three feature representation methods, namely, K-Skip-N-Grams, Information theory, and Sequential and structural features (SSF), is used to represent the protein sequences and improve feature representation ability. In addition, the classifier is a support vector machine. The mixed-feature representation method is evaluated using 10-fold cross-validation and a test set. Feature vectors, which are obtained from a combination of three feature extractions, show the best performance in 10-fold cross-validation both under non-dimensional reduction and dimensional reduction by max-relevance-max-distance. Moreover, the reduced mixed feature method performs better than the non-reduced mixed feature technique. The feature vectors, which are a combination of SSF and K-Skip-N-Grams, show the best performance in the test set. Among these methods, mixed features exhibit superiority over the single features.

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

Guedes, Carlos; Oriti, Daniele; Raasakka, Matti

The phase space given by the cotangent bundle of a Lie group appears in the context of several models for physical systems. A representation for the quantum system in terms of non-commutative functions on the (dual) Lie algebra, and a generalized notion of (non-commutative) Fourier transform, different from standard harmonic analysis, has been recently developed, and found several applications, especially in the quantum gravity literature. We show that this algebra representation can be defined on the sole basis of a quantization map of the classical Poisson algebra, and identify the conditions for its existence. In particular, the corresponding non-commutative star-productmore » carried by this representation is obtained directly from the quantization map via deformation quantization. We then clarify under which conditions a unitary intertwiner between such algebra representation and the usual group representation can be constructed giving rise to the non-commutative plane waves and consequently, the non-commutative Fourier transform. The compact groups U(1) and SU(2) are considered for different choices of quantization maps, such as the symmetric and the Duflo map, and we exhibit the corresponding star-products, algebra representations, and non-commutative plane waves.« less

Seeing the mean: ensemble coding for sets of faces.

PubMed

Haberman, Jason; Whitney, David

2009-06-01

We frequently encounter groups of similar objects in our visual environment: a bed of flowers, a basket of oranges, a crowd of people. How does the visual system process such redundancy? Research shows that rather than code every element in a texture, the visual system favors a summary statistical representation of all the elements. The authors demonstrate that although it may facilitate texture perception, ensemble coding also occurs for faces-a level of processing well beyond that of textures. Observers viewed sets of faces varying in emotionality (e.g., happy to sad) and assessed the mean emotion of each set. Although observers retained little information about the individual set members, they had a remarkably precise representation of the mean emotion. Observers continued to discriminate the mean emotion accurately even when they viewed sets of 16 faces for 500 ms or less. Modeling revealed that perceiving the average facial expression in groups of faces was not due to noisy representation or noisy discrimination. These findings support the hypothesis that ensemble coding occurs extremely fast at multiple levels of visual analysis. (c) 2009 APA, all rights reserved.

The association of personal semantic memory to identity representations: insight into higher-order networks of autobiographical contents.

PubMed

Grilli, Matthew D

2017-11-01

Identity representations are higher-order knowledge structures that organise autobiographical memories on the basis of personality and role-based themes of one's self-concept. In two experiments, the extent to which different types of personal semantic content are reflected in these higher-order networks of memories was investigated. Healthy, young adult participants generated identity representations that varied in remoteness of formation and verbally reflected on these themes in an open-ended narrative task. The narrative responses were scored for retrieval of episodic, experience-near personal semantic and experience-far (i.e., abstract) personal semantic contents. Results revealed that to reflect on remotely formed identity representations, experience-far personal semantic contents were retrieved more than experience-near personal semantic contents. In contrast, to reflect on recently formed identity representations, experience-near personal semantic contents were retrieved more than experience-far personal semantic contents. Although episodic memory contents were retrieved less than both personal semantic content types to reflect on remotely formed identity representations, this content type was retrieved at a similar frequency as experience-far personal semantic content to reflect on recently formed identity representations. These findings indicate that the association of personal semantic content to identity representations is robust and related to time since acquisition of these knowledge structures.

4D Hyperspherical Harmonic (HyperSPHARM) Representation of Surface Anatomy: A Holistic Treatment of Multiple Disconnected Anatomical Structures

PubMed Central

Hosseinbor, A. Pasha; Chung, Moo K.; Koay, Cheng Guan; Schaefer, Stacey M.; van Reekum, Carien M.; Schmitz, Lara Peschke; Sutterer, Matt; Alexander, Andrew L.; Davidson, Richard J.

2015-01-01

Image-based parcellation of the brain often leads to multiple disconnected anatomical structures, which pose significant challenges for analyses of morphological shapes. Existing shape models, such as the widely used spherical harmonic (SPHARM) representation, assume topological invariance, so are unable to simultaneously parameterize multiple disjoint structures. In such a situation, SPHARM has to be applied separately to each individual structure. We present a novel surface parameterization technique using 4D hyperspherical harmonics in representing multiple disjoint objects as a single analytic function, terming it HyperSPHARM. The underlying idea behind Hyper-SPHARM is to stereographically project an entire collection of disjoint 3D objects onto the 4D hypersphere and subsequently simultaneously parameterize them with the 4D hyperspherical harmonics. Hence, HyperSPHARM allows for a holistic treatment of multiple disjoint objects, unlike SPHARM. In an imaging dataset of healthy adult human brains, we apply HyperSPHARM to the hippocampi and amygdalae. The HyperSPHARM representations are employed as a data smoothing technique, while the HyperSPHARM coefficients are utilized in a support vector machine setting for object classification. HyperSPHARM yields nearly identical results as SPHARM, as will be shown in the paper. Its key advantage over SPHARM lies computationally; Hyper-SPHARM possess greater computational efficiency than SPHARM because it can parameterize multiple disjoint structures using much fewer basis functions and stereographic projection obviates SPHARM's burdensome surface flattening. In addition, HyperSPHARM can handle any type of topology, unlike SPHARM, whose analysis is confined to topologically invariant structures. PMID:25828650

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

Witte, Jonathon; Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720; Neaton, Jeffrey B.

With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methodsmore » and systems examined, the most complete basis is Jensen’s pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.« less

7 CFR 947.34 - Vacancies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... as a committee member or as an alternate to qualify, or in the event of the death, removal... without regard to nominations, which selection shall be made on the basis of the representation provided...

7 CFR 987.26 - Vacancies.

Code of Federal Regulations, 2010 CFR

2010-01-01

..., resignation, disqualification, or death of any person nominated to serve on the Committee, or any member or... without regard to nominations, and the selection shall be made on the basis of representation provided in...

7 CFR 920.26 - Vacancies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... member or as an alternate member of the committee to qualify, or in the event of the death, removal... vacancy without regard to nominations, which selection shall be made on the basis of representation...

The connection-set algebra--a novel formalism for the representation of connectivity structure in neuronal network models.

PubMed

Djurfeldt, Mikael

2012-07-01

The connection-set algebra (CSA) is a novel and general formalism for the description of connectivity in neuronal network models, from small-scale to large-scale structure. The algebra provides operators to form more complex sets of connections from simpler ones and also provides parameterization of such sets. CSA is expressive enough to describe a wide range of connection patterns, including multiple types of random and/or geometrically dependent connectivity, and can serve as a concise notation for network structure in scientific writing. CSA implementations allow for scalable and efficient representation of connectivity in parallel neuronal network simulators and could even allow for avoiding explicit representation of connections in computer memory. The expressiveness of CSA makes prototyping of network structure easy. A C+ + version of the algebra has been implemented and used in a large-scale neuronal network simulation (Djurfeldt et al., IBM J Res Dev 52(1/2):31-42, 2008b) and an implementation in Python has been publicly released.

Character recognition using a neural network model with fuzzy representation

NASA Technical Reports Server (NTRS)

Tavakoli, Nassrin; Seniw, David

1992-01-01

The degree to which digital images are recognized correctly by computerized algorithms is highly dependent upon the representation and the classification processes. Fuzzy techniques play an important role in both processes. In this paper, the role of fuzzy representation and classification on the recognition of digital characters is investigated. An experimental Neural Network model with application to character recognition was developed. Through a set of experiments, the effect of fuzzy representation on the recognition accuracy of this model is presented.

A Novel Cylindrical Representation for Characterizing Intrinsic Properties of Protein Sequences.

PubMed

Yu, Jia-Feng; Dou, Xiang-Hua; Wang, Hong-Bo; Sun, Xiao; Zhao, Hui-Ying; Wang, Ji-Hua

2015-06-22

The composition and sequence order of amino acid residues are the two most important characteristics to describe a protein sequence. Graphical representations facilitate visualization of biological sequences and produce biologically useful numerical descriptors. In this paper, we propose a novel cylindrical representation by placing the 20 amino acid residue types in a circle and sequence positions along the z axis. This representation allows visualization of the composition and sequence order of amino acids at the same time. Ten numerical descriptors and one weighted numerical descriptor have been developed to quantitatively describe intrinsic properties of protein sequences on the basis of the cylindrical model. Their applications to similarity/dissimilarity analysis of nine ND5 proteins indicated that these numerical descriptors are more effective than several classical numerical matrices. Thus, the cylindrical representation obtained here provides a new useful tool for visualizing and charactering protein sequences. An online server is available at http://biophy.dzu.edu.cn:8080/CNumD/input.jsp .

Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules

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

Choi, Sunghwan; Hong, Kwangwoo; Kim, Jaewook

2015-03-07

We developed a self-consistent field program based on Kohn-Sham density functional theory using Lagrange-sinc functions as a basis set and examined its numerical accuracy for atoms and molecules through comparison with the results of Gaussian basis sets. The result of the Kohn-Sham inversion formula from the Lagrange-sinc basis set manifests that the pseudopotential method is essential for cost-effective calculations. The Lagrange-sinc basis set shows faster convergence of the kinetic and correlation energies of benzene as its size increases than the finite difference method does, though both share the same uniform grid. Using a scaling factor smaller than or equal tomore » 0.226 bohr and pseudopotentials with nonlinear core correction, its accuracy for the atomization energies of the G2-1 set is comparable to all-electron complete basis set limits (mean absolute deviation ≤1 kcal/mol). The same basis set also shows small mean absolute deviations in the ionization energies, electron affinities, and static polarizabilities of atoms in the G2-1 set. In particular, the Lagrange-sinc basis set shows high accuracy with rapid convergence in describing density or orbital changes by an external electric field. Moreover, the Lagrange-sinc basis set can readily improve its accuracy toward a complete basis set limit by simply decreasing the scaling factor regardless of systems.« less

An Analysis of Different Representations for Vectors and Planes in R[superscript 3]: Learning Challenges

ERIC Educational Resources Information Center

Sandoval, Ivonne; Possani, Edgar

2016-01-01

The purpose of this paper is to present an analysis of the difficulties faced by students when working with different representations of vectors, planes and their intersections in R[superscript 3]. Duval's theoretical framework on semiotic representations is used to design a set of evaluating activities, and later to analyze student work. The…

Orienting numbers in mental space: horizontal organization trumps vertical.

PubMed

Holmes, Kevin J; Lourenco, Stella F

2012-01-01

While research on the spatial representation of number has provided substantial evidence for a horizontally oriented mental number line, recent studies suggest vertical organization as well. Directly comparing the relative strength of horizontal and vertical organization, however, we found no evidence of spontaneous vertical orientation (upward or downward), and horizontal trumped vertical when pitted against each other (Experiment 1). Only when numbers were conceptualized as magnitudes (as opposed to nonmagnitude ordinal sequences) did reliable vertical organization emerge, with upward orientation preferred (Experiment 2). Altogether, these findings suggest that horizontal representations predominate, and that vertical representations, when elicited, may be relatively inflexible. Implications for spatial organization beyond number, and its ontogenetic basis, are discussed.

Optimization of selected molecular orbitals in group basis sets.

PubMed

Ferenczy, György G; Adams, William H

2009-04-07

We derive a local basis equation which may be used to determine the orbitals of a group of electrons in a system when the orbitals of that group are represented by a group basis set, i.e., not the basis set one would normally use but a subset suited to a specific electronic group. The group orbitals determined by the local basis equation minimize the energy of a system when a group basis set is used and the orbitals of other groups are frozen. In contrast, under the constraint of a group basis set, the group orbitals satisfying the Huzinaga equation do not minimize the energy. In a test of the local basis equation on HCl, the group basis set included only 12 of the 21 functions in a basis set one might ordinarily use, but the calculated active orbital energies were within 0.001 hartree of the values obtained by solving the Hartree-Fock-Roothaan (HFR) equation using all 21 basis functions. The total energy found was just 0.003 hartree higher than the HFR value. The errors with the group basis set approximation to the Huzinaga equation were larger by over two orders of magnitude. Similar results were obtained for PCl(3) with the group basis approximation. Retaining more basis functions allows an even higher accuracy as shown by the perfect reproduction of the HFR energy of HCl with 16 out of 21 basis functions in the valence basis set. When the core basis set was also truncated then no additional error was introduced in the calculations performed for HCl with various basis sets. The same calculations with fixed core orbitals taken from isolated heavy atoms added a small error of about 10(-4) hartree. This offers a practical way to calculate wave functions with predetermined fixed core and reduced base valence orbitals at reduced computational costs. The local basis equation can also be used to combine the above approximations with the assignment of local basis sets to groups of localized valence molecular orbitals and to derive a priori localized orbitals. An appropriately chosen localization and basis set assignment allowed a reproduction of the energy of n-hexane with an error of 10(-5) hartree, while the energy difference between its two conformers was reproduced with a similar accuracy for several combinations of localizations and basis set assignments. These calculations include localized orbitals extending to 4-5 heavy atoms and thus they require to solve reduced dimension secular equations. The dimensions are not expected to increase with increasing system size and thus the local basis equation may find use in linear scaling electronic structure calculations.

19 CFR 181.11 - Certificate of Origin.

Code of Federal Regulations, 2012 CFR

2012-04-01

... Certificate on the basis of: (1) Its knowledge of whether the good qualifies as an originating good; (2) Its reasonable reliance on the producer's written representation that the good qualifies as an originating good...

19 CFR 181.11 - Certificate of Origin.

Code of Federal Regulations, 2010 CFR

2010-04-01

... Certificate on the basis of: (1) Its knowledge of whether the good qualifies as an originating good; (2) Its reasonable reliance on the producer's written representation that the good qualifies as an originating good...

7 CFR 945.28 - Vacancies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... member or as an alternate to qualify, or in the event of the death, removal, resignation, or... nominations, which selection shall be made on the basis of the representation provided for in § 945.24. ...

A complete active space valence bond method with nonorthogonal orbitals

NASA Astrophysics Data System (ADS)

Hirao, Kimihiko; Nakano, Haruyuki; Nakayama, Kenichi

1997-12-01

A complete active space self-consistent field (SCF) wave function is transformed into a valence bond type representation built from nonorthogonal orbitals, each strongly localized on a single atom. Nonorthogonal complete active space SCF orbitals are constructed by Ruedenberg's projected localization procedure so that they have maximal overlaps with the corresponding minimum basis set of atomic orbitals of the free-atoms. The valence bond structures which are composed of such nonorthogonal quasiatomic orbitals constitute the wave function closest to the concept of the oldest and most simple valence bond method. The method is applied to benzene, butadiene, hydrogen, and methane molecules and compared to the previously proposed complete active space valence bond approach with orthogonal orbitals. The results demonstrate the validity of the method as a powerful tool for describing the electronic structure of various molecules.

Reverse engineering of aircraft wing data using a partial differential equation surface model

NASA Astrophysics Data System (ADS)

Huband, Jacalyn Mann

Reverse engineering is a multi-step process used in industry to determine a production representation of an existing physical object. This representation is in the form of mathematical equations that are compatible with computer-aided design and computer-aided manufacturing (CAD/CAM) equipment. The four basic steps to the reverse engineering process are data acquisition, data separation, surface or curve fitting, and CAD/CAM production. The surface fitting step determines the design representation of the object, and thus is critical to the success or failure of the reverse engineering process. Although surface fitting methods described in the literature are used to model a variety of surfaces, they are not suitable for reversing aircraft wings. In this dissertation, we develop and demonstrate a new strategy for reversing a mathematical representation of an aircraft wing. The basis of our strategy is to take an aircraft design model and determine if an inverse model can be derived. A candidate design model for this research is the partial differential equation (PDE) surface model, proposed by Bloor and Wilson and used in the Rapid Airplane Parameter Input Design (RAPID) tool at the NASA-LaRC Geolab. There are several basic mathematical problems involved in reversing the PDE surface model: (i) deriving a computational approximation of the surface function; (ii) determining a radial parametrization of the wing; (iii) choosing mathematical models or classes of functions for representation of the boundary functions; (iv) fitting the boundary data points by the chosen boundary functions; and (v) simultaneously solving for the axial parameterization and the derivative boundary functions. The study of the techniques to solve the above mathematical problems has culminated in a reverse PDE surface model and two reverse PDE surface algorithms. One reverse PDE surface algorithm recovers engineering design parameters for the RAPID tool from aircraft wing data and the other generates a PDE surface model with spline boundary functions from an arbitrary set of grid points. Our numerical tests show that the reverse PDE surface model and the reverse PDE surface algorithms can be used for the reverse engineering of aircraft wing data.

Accurate Methods for Large Molecular Systems (Preprint)

DTIC Science & Technology

2009-01-06

tensor, EFP calculations are basis set dependent. The smallest recommended basis set is 6- 31++G( d , p )52 The dependence of the computational cost of...and second order perturbation theory (MP2) levels with the 6-31G( d , p ) basis set. Additional SFM tests are presented for a small set of alpha...helices using the 6-31++G( d , p ) basis set. The larger 6-311++G(3df,2p) basis set is employed for creating all EFPs used for non- bonded interactions, since

The metaphors of collaboration, or the social construction of collaborative interactions between health professionals.

PubMed

Tomelleri, Stefano; Lusardi, Roberto; Artioli, Giovanna

2015-03-13

This article illustrates the ways in which symbolic representations of reality, embodied in metaphors and language, can affect collaborative interactions in the current situation of social and economic change. We assume that corporate transformation and organizational configurations influence health professionals' representations in largely unconscious ways and, with these, their everyday practice. On the basis of empirical data collected through 13 focus groups in an Italian hospital, our intention is to show the extent to which joint working can be linked to three main metaphors each matching specific forms of social and professional interaction. The three metaphors of collaboration constitute different attempts to interpret social and organizational changes in proactive - encouraging social innovation - or defensive terms - as actions of cultural resistance. The three metaphors are: apparatus, family and team. In different ways, the first two represent forms of resistance to change and are widely present within organizations. The latter, on the other hand, consists of a proactive way to deal with ongoing social and organizational change. This metaphor testifies to the existence of a different approach to collaborative interactions, a perspective related to specific combinations of organizational and professional characteristics. This study indicates that organizational change and collaboration can be strengthened by metaphors that illustrate open, plural and highly heterogeneous professional settings.

Sources of PCR-induced distortions in high-throughput sequencing data sets

PubMed Central

Kebschull, Justus M.; Zador, Anthony M.

2015-01-01

PCR permits the exponential and sequence-specific amplification of DNA, even from minute starting quantities. PCR is a fundamental step in preparing DNA samples for high-throughput sequencing. However, there are errors associated with PCR-mediated amplification. Here we examine the effects of four important sources of error—bias, stochasticity, template switches and polymerase errors—on sequence representation in low-input next-generation sequencing libraries. We designed a pool of diverse PCR amplicons with a defined structure, and then used Illumina sequencing to search for signatures of each process. We further developed quantitative models for each process, and compared predictions of these models to our experimental data. We find that PCR stochasticity is the major force skewing sequence representation after amplification of a pool of unique DNA amplicons. Polymerase errors become very common in later cycles of PCR but have little impact on the overall sequence distribution as they are confined to small copy numbers. PCR template switches are rare and confined to low copy numbers. Our results provide a theoretical basis for removing distortions from high-throughput sequencing data. In addition, our findings on PCR stochasticity will have particular relevance to quantification of results from single cell sequencing, in which sequences are represented by only one or a few molecules. PMID:26187991

Characterizing optical chirality

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

Bliokh, Konstantin Y.; Advanced Science Institute, RIKEN, Wako-shi, Saitama 351-0198; Nori, Franco

We examine the recently introduced measure of chirality of a monochromatic optical field [Y. Tang and A. E. Cohen, Phys. Rev. Lett. 104, 163901 (2010)] using the momentum (plane-wave) representation and helicity basis. Our analysis clarifies the physical meaning of the measure of chirality and unveils its close relation to the polarization helicity, spin angular momentum, energy density, and Poynting energy flow. We derive the operators of the optical chirality and of the corresponding chiral momentum, which acquire remarkably simple forms in the helicity representation.

One, two, three, four, nothing more: an investigation of the conceptual sources of the verbal counting principles.

PubMed

Le Corre, Mathieu; Carey, Susan

2007-11-01

Since the publication of [Gelman, R., & Gallistel, C. R. (1978). The child's understanding of number. Cambridge, MA: Harvard University Press.] seminal work on the development of verbal counting as a representation of number, the nature of the ontogenetic sources of the verbal counting principles has been intensely debated. The present experiments explore proposals according to which the verbal counting principles are acquired by mapping numerals in the count list onto systems of numerical representation for which there is evidence in infancy, namely, analog magnitudes, parallel individuation, and set-based quantification. By asking 3- and 4-year-olds to estimate the number of elements in sets without counting, we investigate whether the numerals that are assigned cardinal meaning as part of the acquisition process display the signatures of what we call "enriched parallel individuation" (which combines properties of parallel individuation and of set-based quantification) or analog magnitudes. Two experiments demonstrate that while "one" to "four" are mapped onto core representations of small sets prior to the acquisition of the counting principles, numerals beyond "four" are only mapped onto analog magnitudes about six months after the acquisition of the counting principles. Moreover, we show that children's numerical estimates of sets from 1 to 4 elements fail to show the signature of numeral use based on analog magnitudes - namely, scalar variability. We conclude that, while representations of small sets provided by parallel individuation, enriched by the resources of set-based quantification are recruited in the acquisition process to provide the first numerical meanings for "one" to "four", analog magnitudes play no role in this process.

Capuchin monkeys (Cebus apella) treat small and large numbers of items similarly during a relative quantity judgment task.

PubMed

Beran, Michael J; Parrish, Audrey E

2016-08-01

A key issue in understanding the evolutionary and developmental emergence of numerical cognition is to learn what mechanism(s) support perception and representation of quantitative information. Two such systems have been proposed, one for dealing with approximate representation of sets of items across an extended numerical range and another for highly precise representation of only small numbers of items. Evidence for the first system is abundant across species and in many tests with human adults and children, whereas the second system is primarily evident in research with children and in some tests with non-human animals. A recent paper (Choo & Franconeri, Psychonomic Bulletin & Review, 21, 93-99, 2014) with adult humans also reported "superprecise" representation of small sets of items in comparison to large sets of items, which would provide more support for the presence of a second system in human adults. We first presented capuchin monkeys with a test similar to that of Choo and Franconeri in which small or large sets with the same ratios had to be discriminated. We then presented the same monkeys with an expanded range of comparisons in the small number range (all comparisons of 1-9 items) and the large number range (all comparisons of 10-90 items in 10-item increments). Capuchin monkeys showed no increased precision for small over large sets in making these discriminations in either experiment. These data indicate a difference in the performance of monkeys to that of adult humans, and specifically that monkeys do not show improved discrimination performance for small sets relative to large sets when the relative numerical differences are held constant.

Learning semantic histopathological representation for basal cell carcinoma classification

NASA Astrophysics Data System (ADS)

Gutiérrez, Ricardo; Rueda, Andrea; Romero, Eduardo

2013-03-01

Diagnosis of a histopathology glass slide is a complex process that involves accurate recognition of several structures, their function in the tissue and their relation with other structures. The way in which the pathologist represents the image content and the relations between those objects yields a better and accurate diagnoses. Therefore, an appropriate semantic representation of the image content will be useful in several analysis tasks such as cancer classification, tissue retrieval and histopahological image analysis, among others. Nevertheless, to automatically recognize those structures and extract their inner semantic meaning are still very challenging tasks. In this paper we introduce a new semantic representation that allows to describe histopathological concepts suitable for classification. The approach herein identify local concepts using a dictionary learning approach, i.e., the algorithm learns the most representative atoms from a set of random sampled patches, and then models the spatial relations among them by counting the co-occurrence between atoms, while penalizing the spatial distance. The proposed approach was compared with a bag-of-features representation in a tissue classification task. For this purpose, 240 histological microscopical fields of view, 24 per tissue class, were collected. Those images fed a Support Vector Machine classifier per class, using 120 images as train set and the remaining ones for testing, maintaining the same proportion of each concept in the train and test sets. The obtained classification results, averaged from 100 random partitions of training and test sets, shows that our approach is more sensitive in average than the bag-of-features representation in almost 6%.

Operator algebra as an application of logarithmic representation of infinitesimal generators

NASA Astrophysics Data System (ADS)

Iwata, Yoritaka

2018-02-01

The operator algebra is introduced based on the framework of logarithmic representation of infinitesimal generators. In conclusion a set of generally-unbounded infinitesimal generators is characterized as a module over the Banach algebra.

Implicit kernel sparse shape representation: a sparse-neighbors-based objection segmentation framework.

PubMed

Yao, Jincao; Yu, Huimin; Hu, Roland

2017-01-01

This paper introduces a new implicit-kernel-sparse-shape-representation-based object segmentation framework. Given an input object whose shape is similar to some of the elements in the training set, the proposed model can automatically find a cluster of implicit kernel sparse neighbors to approximately represent the input shape and guide the segmentation. A distance-constrained probabilistic definition together with a dualization energy term is developed to connect high-level shape representation and low-level image information. We theoretically prove that our model not only derives from two projected convex sets but is also equivalent to a sparse-reconstruction-error-based representation in the Hilbert space. Finally, a "wake-sleep"-based segmentation framework is applied to drive the evolutionary curve to recover the original shape of the object. We test our model on two public datasets. Numerical experiments on both synthetic images and real applications show the superior capabilities of the proposed framework.

A depictive neural model for the representation of motion verbs.

PubMed

Rao, Sunil; Aleksander, Igor

2011-11-01

In this paper, we present a depictive neural model for the representation of motion verb semantics in neural models of visual awareness. The problem of modelling motion verb representation is shown to be one of function application, mapping a set of given input variables defining the moving object and the path of motion to a defined output outcome in the motion recognition context. The particular function-applicative implementation and consequent recognition model design presented are seen as arising from a noun-adjective recognition model enabling the recognition of colour adjectives as applied to a set of shapes representing objects to be recognised. The presence of such a function application scheme and a separately implemented position identification and path labelling scheme are accordingly shown to be the primitives required to enable the design and construction of a composite depictive motion verb recognition scheme. Extensions to the presented design to enable the representation of transitive verbs are also discussed.

Data graphing methods, articles of manufacture, and computing devices

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

Wong, Pak Chung; Mackey, Patrick S.; Cook, Kristin A.

Data graphing methods, articles of manufacture, and computing devices are described. In one aspect, a method includes accessing a data set, displaying a graphical representation including data of the data set which is arranged according to a first of different hierarchical levels, wherein the first hierarchical level represents the data at a first of a plurality of different resolutions which respectively correspond to respective ones of the hierarchical levels, selecting a portion of the graphical representation wherein the data of the portion is arranged according to the first hierarchical level at the first resolution, modifying the graphical representation by arrangingmore » the data of the portion according to a second of the hierarchal levels at a second of the resolutions, and after the modifying, displaying the graphical representation wherein the data of the portion is arranged according to the second hierarchal level at the second resolution.« less

Communication: Multiple-property-based diabatization for open-shell van der Waals molecules

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

Karman, Tijs; Avoird, Ad van der; Groenenboom, Gerrit C., E-mail: gerritg@theochem.ru.nl

2016-03-28

We derive a new multiple-property-based diabatization algorithm. The transformation between adiabatic and diabatic representations is determined by requiring a set of properties in both representations to be related by a similarity transformation. This set of properties is determined in the adiabatic representation by rigorous electronic structure calculations. In the diabatic representation, the same properties are determined using model diabatic states defined as products of undistorted monomer wave functions. This diabatic model is generally applicable to van der Waals molecules in arbitrary electronic states. Application to locating seams of conical intersections and collisional transfer of electronic excitation energy is demonstrated formore » O{sub 2} − O{sub 2} in low-lying excited states. Property-based diabatization for this test system included all components of the electric quadrupole tensor, orbital angular momentum, and spin-orbit coupling.« less

Chiral symmetry breaking and the spin content of hadrons

NASA Astrophysics Data System (ADS)

Glozman, L. Ya.; Lang, C. B.; Limmer, M.

2012-04-01

From the parton distributions in the infinite momentum frame, one finds that only about 30% of the nucleon spin is carried by spins of the valence quarks, which gave rise to the term “spin crisis”. Similar results hold for the lowest mesons, as it follows from the lattice simulations. We define the spin content of a meson in the rest frame and use a complete and orthogonal q¯q chiral basis and a unitary transformation from the chiral basis to the 2LJ basis. Then, given a mixture of different allowed chiral representations in the meson wave function at a given resolution scale, one can obtain its spin content at this scale. To obtain the mixture of the chiral representations in the meson, we measure in dynamical lattice simulations a ratio of couplings of interpolators with different chiral structure. For the ρ meson, we obtain practically the 3S1 state with no trace of the spin crisis. Then a natural question arises: which definition does reflect the spin content of a hadron?

Self-assessment procedure using fuzzy sets

NASA Astrophysics Data System (ADS)

Mimi, Fotini

2000-10-01

Self-Assessment processes, initiated by a company itself and carried out by its own people, are considered to be the starting point for a regular strategic or operative planning process to ensure a continuous quality improvement. Their importance has increased by the growing relevance and acceptance of international quality awards such as the Malcolm Baldrige National Quality Award, the European Quality Award and the Deming Prize. Especially award winners use the instrument of a systematic and regular Self-Assessment and not only because they have to verify their quality and business results for at least three years. The Total Quality Model of the European Foundation for Quality Management (EFQM), used for the European Quality Award, is the basis for Self-Assessment in Europe. This paper presents a self-assessment supporting method based on a methodology of fuzzy control systems providing an effective means of converting the linguistic approximation into an automatic control strategy. In particular, the elements of the Quality Model mentioned above are interpreted as linguistic variables. The LR-type of a fuzzy interval is used for their representation. The input data has a qualitative character based on empirical investigation and expert knowledge and therefore the base- variables are ordinal scaled. The aggregation process takes place on the basis of a hierarchical structure. Finally, in order to render the use of the method more practical a software system on PC basis is developed and implemented.

Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: the case of LiH.

PubMed

Usvyat, Denis; Civalleri, Bartolomeo; Maschio, Lorenzo; Dovesi, Roberto; Pisani, Cesare; Schütz, Martin

2011-06-07

The atomic orbital basis set limit is approached in periodic correlated calculations for solid LiH. The valence correlation energy is evaluated at the level of the local periodic second order Møller-Plesset perturbation theory (MP2), using basis sets of progressively increasing size, and also employing "bond"-centered basis functions in addition to the standard atom-centered ones. Extended basis sets, which contain linear dependencies, are processed only at the MP2 stage via a dual basis set scheme. The local approximation (domain) error has been consistently eliminated by expanding the orbital excitation domains. As a final result, it is demonstrated that the complete basis set limit can be reached for both HF and local MP2 periodic calculations, and a general scheme is outlined for the definition of high-quality atomic-orbital basis sets for solids. © 2011 American Institute of Physics

An expanded calibration study of the explicitly correlated CCSD(T)-F12b method using large basis set standard CCSD(T) atomization energies.

PubMed

Feller, David; Peterson, Kirk A

2013-08-28

The effectiveness of the recently developed, explicitly correlated coupled cluster method CCSD(T)-F12b is examined in terms of its ability to reproduce atomization energies derived from complete basis set extrapolations of standard CCSD(T). Most of the standard method findings were obtained with aug-cc-pV7Z or aug-cc-pV8Z basis sets. For a few homonuclear diatomic molecules it was possible to push the basis set to the aug-cc-pV9Z level. F12b calculations were performed with the cc-pVnZ-F12 (n = D, T, Q) basis set sequence and were also extrapolated to the basis set limit using a Schwenke-style, parameterized formula. A systematic bias was observed in the F12b method with the (VTZ-F12/VQZ-F12) basis set combination. This bias resulted in the underestimation of reference values associated with small molecules (valence correlation energies <0.5 E(h)) and an even larger overestimation of atomization energies for bigger systems. Consequently, caution should be exercised in the use of F12b for high accuracy studies. Root mean square and mean absolute deviation error metrics for this basis set combination were comparable to complete basis set values obtained with standard CCSD(T) and the aug-cc-pVDZ through aug-cc-pVQZ basis set sequence. However, the mean signed deviation was an order of magnitude larger. Problems partially due to basis set superposition error were identified with second row compounds which resulted in a weak performance for the smaller VDZ-F12/VTZ-F12 combination of basis sets.

A polygon soup representation for free viewpoint video

NASA Astrophysics Data System (ADS)

Colleu, T.; Pateux, S.; Morin, L.; Labit, C.

2010-02-01

This paper presents a polygon soup representation for multiview data. Starting from a sequence of multi-view video plus depth (MVD) data, the proposed representation takes into account, in a unified manner, different issues such as compactness, compression, and intermediate view synthesis. The representation is built in two steps. First, a set of 3D quads is extracted using a quadtree decomposition of the depth maps. Second, a selective elimination of the quads is performed in order to reduce inter-view redundancies and thus provide a compact representation. Moreover, the proposed methodology for extracting the representation allows to reduce ghosting artifacts. Finally, an adapted compression technique is proposed that limits coding artifacts. The results presented on two real sequences show that the proposed representation provides a good trade-off between rendering quality and data compactness.

Pertinent Factors that Affect the Representation of Women and Minorities in Scientific, Engineering, and Technical Careers

DTIC Science & Technology

1990-07-01

Upon the Supply of Minority and Women Scientists, Engineers , and Technologists (SETs) for Defense Industries and Installations." The purpose of the...the causes of the underrepresentation of minorities and women in scientific, engineering , and technolog- ical (SET) careers, and to establish a...DT ?copy- ARI Research Note 90-80 AD-A231 827 Pertinent Factors that Affect the Representation of Women and Minorities in Scientific, Engineering

Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

DOE PAGES

Krogel, Jaron T.; Reboredo, Fernando A.

2018-01-25

Quantum Monte Carlo calculations of defect properties of transition metal oxides have become feasible in recent years due to increases in computing power. As the system size has grown, availability of on-node memory has become a limiting factor. Saving memory while minimizing computational cost is now a priority. The main growth in memory demand stems from the B-spline representation of the single particle orbitals, especially for heavier elements such as transition metals where semi-core states are present. Despite the associated memory costs, splines are computationally efficient. In this paper, we explore alternatives to reduce the memory usage of splined orbitalsmore » without significantly affecting numerical fidelity or computational efficiency. We make use of the kinetic energy operator to both classify and smooth the occupied set of orbitals prior to splining. By using a partitioning scheme based on the per-orbital kinetic energy distributions, we show that memory savings of about 50% is possible for select transition metal oxide systems. Finally, for production supercells of practical interest, our scheme incurs a performance penalty of less than 5%.« less

On Applications of Pyramid Doubly Joint Bilateral Filtering in Dense Disparity Propagation

NASA Astrophysics Data System (ADS)

Abadpour, Arash

2014-06-01

Stereopsis is the basis for numerous tasks in machine vision, robotics, and 3D data acquisition and processing. In order for the subsequent algorithms to function properly, it is important that an affordable method exists that, given a pair of images taken by two cameras, can produce a representation of disparity or depth. This topic has been an active research field since the early days of work on image processing problems and rich literature is available on the topic. Joint bilateral filters have been recently proposed as a more affordable alternative to anisotropic diffusion. This class of image operators utilizes correlation in multiple modalities for purposes such as interpolation and upscaling. In this work, we develop the application of bilateral filtering for converting a large set of sparse disparity measurements into a dense disparity map. This paper develops novel methods for utilizing bilateral filters in joint, pyramid, and doubly joint settings, for purposes including missing value estimation and upscaling. We utilize images of natural and man-made scenes in order to exhibit the possibilities offered through the use of pyramid doubly joint bilateral filtering for stereopsis.

Computational modeling of cardiovascular response to orthostatic stress

NASA Technical Reports Server (NTRS)

Heldt, Thomas; Shim, Eun B.; Kamm, Roger D.; Mark, Roger G.

2002-01-01

The objective of this study is to develop a model of the cardiovascular system capable of simulating the short-term (< or = 5 min) transient and steady-state hemodynamic responses to head-up tilt and lower body negative pressure. The model consists of a closed-loop lumped-parameter representation of the circulation connected to set-point models of the arterial and cardiopulmonary baroreflexes. Model parameters are largely based on literature values. Model verification was performed by comparing the simulation output under baseline conditions and at different levels of orthostatic stress to sets of population-averaged hemodynamic data reported in the literature. On the basis of experimental evidence, we adjusted some model parameters to simulate experimental data. Orthostatic stress simulations are not statistically different from experimental data (two-sided test of significance with Bonferroni adjustment for multiple comparisons). Transient response characteristics of heart rate to tilt also compare well with reported data. A case study is presented on how the model is intended to be used in the future to investigate the effects of post-spaceflight orthostatic intolerance.

Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

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

Krogel, Jaron T.; Reboredo, Fernando A.

Quantum Monte Carlo calculations of defect properties of transition metal oxides have become feasible in recent years due to increases in computing power. As the system size has grown, availability of on-node memory has become a limiting factor. Saving memory while minimizing computational cost is now a priority. The main growth in memory demand stems from the B-spline representation of the single particle orbitals, especially for heavier elements such as transition metals where semi-core states are present. Despite the associated memory costs, splines are computationally efficient. In this paper, we explore alternatives to reduce the memory usage of splined orbitalsmore » without significantly affecting numerical fidelity or computational efficiency. We make use of the kinetic energy operator to both classify and smooth the occupied set of orbitals prior to splining. By using a partitioning scheme based on the per-orbital kinetic energy distributions, we show that memory savings of about 50% is possible for select transition metal oxide systems. Finally, for production supercells of practical interest, our scheme incurs a performance penalty of less than 5%.« less

Gaussian-windowed frame based method of moments formulation of surface-integral-equation for extended apertures

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

Shlivinski, A., E-mail: amirshli@ee.bgu.ac.il; Lomakin, V., E-mail: vlomakin@eng.ucsd.edu

2016-03-01

Scattering or coupling of electromagnetic beam-field at a surface discontinuity separating two homogeneous or inhomogeneous media with different propagation characteristics is formulated using surface integral equation, which are solved by the Method of Moments with the aid of the Gabor-based Gaussian window frame set of basis and testing functions. The application of the Gaussian window frame provides (i) a mathematically exact and robust tool for spatial-spectral phase-space formulation and analysis of the problem; (ii) a system of linear equations in a transmission-line like form relating mode-like wave objects of one medium with mode-like wave objects of the second medium; (iii)more » furthermore, an appropriate setting of the frame parameters yields mode-like wave objects that blend plane wave properties (as if solving in the spectral domain) with Green's function properties (as if solving in the spatial domain); and (iv) a representation of the scattered field with Gaussian-beam propagators that may be used in many large (in terms of wavelengths) systems.« less

Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Krogel, Jaron T.; Reboredo, Fernando A.

2018-01-01

Quantum Monte Carlo calculations of defect properties of transition metal oxides have become feasible in recent years due to increases in computing power. As the system size has grown, availability of on-node memory has become a limiting factor. Saving memory while minimizing computational cost is now a priority. The main growth in memory demand stems from the B-spline representation of the single particle orbitals, especially for heavier elements such as transition metals where semi-core states are present. Despite the associated memory costs, splines are computationally efficient. In this work, we explore alternatives to reduce the memory usage of splined orbitals without significantly affecting numerical fidelity or computational efficiency. We make use of the kinetic energy operator to both classify and smooth the occupied set of orbitals prior to splining. By using a partitioning scheme based on the per-orbital kinetic energy distributions, we show that memory savings of about 50% is possible for select transition metal oxide systems. For production supercells of practical interest, our scheme incurs a performance penalty of less than 5%.

An essay on dreaming, psychical working out and working through.

PubMed

da Rocha Barros, Elias M

2002-10-01

In this paper the author attempts to expand the idea put forward by Freud who considered dreams as a special form of unconscious thinking. It is the author's contention that the psychical working-out function performed by dreams is a form of unconscious thinking, which transforms affects into memories and mental structures. He also attempts to clarify the way in which meaning is built and transformed in mental life. In that respect the unconscious internal world is seen as a form of unconscious thinking, a private theatre where meaning is generated and transformed. He focuses on what happens to feelings in dreams in connection with the meanings as a result of and an expression of the several stages of working through. The dream world is described as the setting where the mind gives expressive pictorial representation to the emotions involved in a conflict: a first step towards thinkability. The dreamwork also constitutes a process through which meaning is apprehended, built on and transformed at an expressive non-discursive level, based on representation through figurative/pictorial images. The author draws on Meltzer's formulation to conjecture that the working-through function of dreams, mainly in response to interpretations, is performed by a process of progression in formal qualities of the representations made available by dreaming in the form he has called affective pictograms. It is through progression in formal qualities of the representation that the thinking capabilities of the affective life develop and become part of the process of what is called metaphorically the metabolisation of emotional life. This process takes place through migration of meaning across various levels of mental process. In this perspective the analyst's interpretations of dreams effect what linguists call transmutation of the symbolic basis, a process that is necessary to help the mind to improve its capacity to think. Something expressed on the evocative plane and condensed into a pictographic image is then transformed into verbal language that expresses meaning. These conceptions are illustrated by a detailed clinical case.

Optimized auxiliary basis sets for density fitted post-Hartree-Fock calculations of lanthanide containing molecules

NASA Astrophysics Data System (ADS)

Chmela, Jiří; Harding, Michael E.

2018-06-01

Optimised auxiliary basis sets for lanthanide atoms (Ce to Lu) for four basis sets of the Karlsruhe error-balanced segmented contracted def2 - series (SVP, TZVP, TZVPP and QZVPP) are reported. These auxiliary basis sets enable the use of the resolution-of-the-identity (RI) approximation in post Hartree-Fock methods - as for example, second-order perturbation theory (MP2) and coupled cluster (CC) theory. The auxiliary basis sets are tested on an enlarged set of about a hundred molecules where the test criterion is the size of the RI error in MP2 calculations. Our tests also show that the same auxiliary basis sets can be used together with different effective core potentials. With these auxiliary basis set calculations of MP2 and CC quality can now be performed efficiently on medium-sized molecules containing lanthanides.

The representation of object viewpoint in human visual cortex.

PubMed

Andresen, David R; Vinberg, Joakim; Grill-Spector, Kalanit

2009-04-01

Understanding the nature of object representations in the human brain is critical for understanding the neural basis of invariant object recognition. However, the degree to which object representations are sensitive to object viewpoint is unknown. Using fMRI we employed a parametric approach to examine the sensitivity to object view as a function of rotation (0 degrees-180 degrees ), category (animal/vehicle) and fMRI-adaptation paradigm (short or long-lagged). For both categories and fMRI-adaptation paradigms, object-selective regions recovered from adaptation when a rotated view of an object was shown after adaptation to a specific view of that object, suggesting that representations are sensitive to object rotation. However, we found evidence for differential representations across categories and ventral stream regions. Rotation cross-adaptation was larger for animals than vehicles, suggesting higher sensitivity to vehicle than animal rotation, and was largest in the left fusiform/occipito-temporal sulcus (pFUS/OTS), suggesting that this region has low sensitivity to rotation. Moreover, right pFUS/OTS and FFA responded more strongly to front than back views of animals (without adaptation) and rotation cross-adaptation depended both on the level of rotation and the adapting view. This result suggests a prevalence of neurons that prefer frontal views of animals in fusiform regions. Using a computational model of view-tuned neurons, we demonstrate that differential neural view tuning widths and relative distributions of neural-tuned populations in fMRI voxels can explain the fMRI results. Overall, our findings underscore the utility of parametric approaches for studying the neural basis of object invariance and suggest that there is no complete invariance to object view in the human ventral stream.

A Description of Exotic Nuclei by the Aid of Virtual States

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

Vertse, T.; University of Debrecen, Faculty of Information Science, H-4010 Debrecen, Pf. 12; Id Betan, R.

2005-11-21

A new unified shell model scheme is introduced in which the single particle basis is a generalization of the Berggren representation. This repesentation includes virtual i.e. antibound basis states as well. We apply the new scheme to the ground state of the exotic nucleus 11Li. Here the antibound pole and the complex continuum both have large contributions and neither of them can be neglected.

40 CFR 1620.3 - Administrative claim; who may file.

Code of Federal Regulations, 2010 CFR

2010-07-01

...) A claim based on death may be presented by the executor or administrator of the decedent's estate... that the basis for the representation is documented in writing. (d) A claim for loss totally...

Where do we store the memory representations that guide attention?

PubMed Central

Woodman, Geoffrey F.; Carlisle, Nancy B.; Reinhart, Robert M. G.

2013-01-01

During the last decade one of the most contentious and heavily studied topics in the attention literature has been the role that working memory representations play in controlling perceptual selection. The hypothesis has been advanced that to have attention select a certain perceptual input from the environment, we only need to represent that item in working memory. Here we summarize the work indicating that the relationship between what representations are maintained in working memory and what perceptual inputs are selected is not so simple. First, it appears that attentional selection is also determined by high-level task goals that mediate the relationship between working memory storage and attentional selection. Second, much of the recent work from our laboratory has focused on the role of long-term memory in controlling attentional selection. We review recent evidence supporting the proposal that working memory representations are critical during the initial configuration of attentional control settings, but that after those settings are established long-term memory representations play an important role in controlling which perceptual inputs are selected by mechanisms of attention. PMID:23444390

Vision and the representation of the surroundings in spatial memory

PubMed Central

Tatler, Benjamin W.; Land, Michael F.

2011-01-01

One of the paradoxes of vision is that the world as it appears to us and the image on the retina at any moment are not much like each other. The visual world seems to be extensive and continuous across time. However, the manner in which we sample the visual environment is neither extensive nor continuous. How does the brain reconcile these differences? Here, we consider existing evidence from both static and dynamic viewing paradigms together with the logical requirements of any representational scheme that would be able to support active behaviour. While static scene viewing paradigms favour extensive, but perhaps abstracted, memory representations, dynamic settings suggest sparser and task-selective representation. We suggest that in dynamic settings where movement within extended environments is required to complete a task, the combination of visual input, egocentric and allocentric representations work together to allow efficient behaviour. The egocentric model serves as a coding scheme in which actions can be planned, but also offers a potential means of providing the perceptual stability that we experience. PMID:21242146

Representation of molecular structure using quantum topology with inductive logic programming in structure-activity relationships.

PubMed

Buttingsrud, Bård; Ryeng, Einar; King, Ross D; Alsberg, Bjørn K

2006-06-01

The requirement of aligning each individual molecule in a data set severely limits the type of molecules which can be analysed with traditional structure activity relationship (SAR) methods. A method which solves this problem by using relations between objects is inductive logic programming (ILP). Another advantage of this methodology is its ability to include background knowledge as 1st-order logic. However, previous molecular ILP representations have not been effective in describing the electronic structure of molecules. We present a more unified and comprehensive representation based on Richard Bader's quantum topological atoms in molecules (AIM) theory where critical points in the electron density are connected through a network. AIM theory provides a wealth of chemical information about individual atoms and their bond connections enabling a more flexible and chemically relevant representation. To obtain even more relevant rules with higher coverage, we apply manual postprocessing and interpretation of ILP rules. We have tested the usefulness of the new representation in SAR modelling on classifying compounds of low/high mutagenicity and on a set of factor Xa inhibitors of high and low affinity.

Representational constraints on children's suggestibility.

PubMed

Ceci, Stephen J; Papierno, Paul B; Kulkofsky, Sarah

2007-06-01

In a multistage experiment, twelve 4- and 9-year-old children participated in a triad rating task. Their ratings were mapped with multidimensional scaling, from which euclidean distances were computed to operationalize semantic distance between items in target pairs. These children and age-mates then participated in an experiment that employed these target pairs in a story, which was followed by a misinformation manipulation. Analyses linked individual and developmental differences in suggestibility to children's representations of the target items. Semantic proximity was a strong predictor of differences in suggestibility: The closer a suggested distractor was to the original item's representation, the greater was the distractor's suggestive influence. The triad participants' semantic proximity subsequently served as the basis for correctly predicting memory performance in the larger group. Semantic proximity enabled a priori counterintuitive predictions of reverse age-related trends to be confirmed whenever the distance between representations of items in a target pair was greater for younger than for older children.

Is the asymmetry in young infants' categorization of humans versus nonhuman animals based on head, body, or global gestalt information?

PubMed

Quinn, Paul C

2004-02-01

Quinn and Eimas (1998) reported an asymmetry in the exclusivity of the category representations that young infants form for humans and nonhuman animals: category representations for nonhuman animal species were found to exclude humans, whereas a category representation for humans was found to include nonhuman animal species (i.e., cats, horses). The present experiment utilized the familiarization/novelty-preference procedure with 3- and 4-month-olds to determine the perceptual cues (i.e., whole stimulus, head alone, body alone) that provided the basis for this asymmetry. The data revealed the asymmetry to be observable only with the whole animal stimuli and not when infants were provided with information from just the head or the body of the exemplars. The results indicate that the incorporation of nonhuman animal species into a category representation for humans is based on holistic information.

Linking Neural and Symbolic Representation and Processing of Conceptual Structures

PubMed Central

van der Velde, Frank; Forth, Jamie; Nazareth, Deniece S.; Wiggins, Geraint A.

2017-01-01

We compare and discuss representations in two cognitive architectures aimed at representing and processing complex conceptual (sentence-like) structures. First is the Neural Blackboard Architecture (NBA), which aims to account for representation and processing of complex and combinatorial conceptual structures in the brain. Second is IDyOT (Information Dynamics of Thinking), which derives sentence-like structures by learning statistical sequential regularities over a suitable corpus. Although IDyOT is designed at a level more abstract than the neural, so it is a model of cognitive function, rather than neural processing, there are strong similarities between the composite structures developed in IDyOT and the NBA. We hypothesize that these similarities form the basis of a combined architecture in which the individual strengths of each architecture are integrated. We outline and discuss the characteristics of this combined architecture, emphasizing the representation and processing of conceptual structures. PMID:28848460

Multiscale 3-D shape representation and segmentation using spherical wavelets.

PubMed

Nain, Delphine; Haker, Steven; Bobick, Aaron; Tannenbaum, Allen

2007-04-01

This paper presents a novel multiscale shape representation and segmentation algorithm based on the spherical wavelet transform. This work is motivated by the need to compactly and accurately encode variations at multiple scales in the shape representation in order to drive the segmentation and shape analysis of deep brain structures, such as the caudate nucleus or the hippocampus. Our proposed shape representation can be optimized to compactly encode shape variations in a population at the needed scale and spatial locations, enabling the construction of more descriptive, nonglobal, nonuniform shape probability priors to be included in the segmentation and shape analysis framework. In particular, this representation addresses the shortcomings of techniques that learn a global shape prior at a single scale of analysis and cannot represent fine, local variations in a population of shapes in the presence of a limited dataset. Specifically, our technique defines a multiscale parametric model of surfaces belonging to the same population using a compact set of spherical wavelets targeted to that population. We further refine the shape representation by separating into groups wavelet coefficients that describe independent global and/or local biological variations in the population, using spectral graph partitioning. We then learn a prior probability distribution induced over each group to explicitly encode these variations at different scales and spatial locations. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior for segmentation. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to two different brain structures, the caudate nucleus and the hippocampus, of interest in the study of schizophrenia. We show: 1) a reconstruction task of a test set to validate the expressiveness of our multiscale prior and 2) a segmentation task. In the reconstruction task, our results show that for a given training set size, our algorithm significantly improves the approximation of shapes in a testing set over the Point Distribution Model, which tends to oversmooth data. In the segmentation task, our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm, by capturing finer shape details.

Multiscale 3-D Shape Representation and Segmentation Using Spherical Wavelets

PubMed Central

Nain, Delphine; Haker, Steven; Bobick, Aaron

2013-01-01

This paper presents a novel multiscale shape representation and segmentation algorithm based on the spherical wavelet transform. This work is motivated by the need to compactly and accurately encode variations at multiple scales in the shape representation in order to drive the segmentation and shape analysis of deep brain structures, such as the caudate nucleus or the hippocampus. Our proposed shape representation can be optimized to compactly encode shape variations in a population at the needed scale and spatial locations, enabling the construction of more descriptive, nonglobal, nonuniform shape probability priors to be included in the segmentation and shape analysis framework. In particular, this representation addresses the shortcomings of techniques that learn a global shape prior at a single scale of analysis and cannot represent fine, local variations in a population of shapes in the presence of a limited dataset. Specifically, our technique defines a multiscale parametric model of surfaces belonging to the same population using a compact set of spherical wavelets targeted to that population. We further refine the shape representation by separating into groups wavelet coefficients that describe independent global and/or local biological variations in the population, using spectral graph partitioning. We then learn a prior probability distribution induced over each group to explicitly encode these variations at different scales and spatial locations. Based on this representation, we derive a parametric active surface evolution using the multiscale prior coefficients as parameters for our optimization procedure to naturally include the prior for segmentation. Additionally, the optimization method can be applied in a coarse-to-fine manner. We apply our algorithm to two different brain structures, the caudate nucleus and the hippocampus, of interest in the study of schizophrenia. We show: 1) a reconstruction task of a test set to validate the expressiveness of our multiscale prior and 2) a segmentation task. In the reconstruction task, our results show that for a given training set size, our algorithm significantly improves the approximation of shapes in a testing set over the Point Distribution Model, which tends to oversmooth data. In the segmentation task, our validation shows our algorithm is computationally efficient and outperforms the Active Shape Model algorithm, by capturing finer shape details. PMID:17427745

Quantity judgments of sequentially presented food items by capuchin monkeys (Cebus apella).

PubMed

Evans, Theodore A; Beran, Michael J; Harris, Emily H; Rice, Daniel F

2009-01-01

Recent assessments have shown that capuchin monkeys, like chimpanzees and other Old World primate species, are sensitive to quantitative differences between sets of visible stimuli. In the present study, we examined capuchins' performance in a more sophisticated quantity judgment task that required the ability to form representations of food quantities while viewing the quantities only one piece at a time. In three experiments, we presented monkeys with the choice between two sets of discrete homogeneous food items and allowed the monkeys to consume the set of their choice. In Experiments 1 and 2, monkeys compared an entirely visible food set to a second set, presented item-by-item into an opaque container. All monkeys exhibited high accuracy in choosing the larger set, even when the entirely visible set was presented last, preventing the use of one-to-one item correspondence to compare quantities. In Experiment 3, monkeys compared two sets that were each presented item-by-item into opaque containers, but at different rates to control for temporal cues. Some monkeys performed well in this experiment, though others exhibited near-chance performance, suggesting that this species' ability to form representations of food quantities may be limited compared to previously tested species such as chimpanzees. Overall, these findings support the analog magnitude model of quantity representation as an explanation for capuchin monkeys' quantification of sequentially presented food items.

Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions.

PubMed

Boström, Jonas; Aquilante, Francesco; Pedersen, Thomas Bondo; Lindh, Roland

2009-06-09

The accuracy of auxiliary basis sets derived by Cholesky decompositions of the electron repulsion integrals is assessed in a series of benchmarks on total ground state energies and dipole moments of a large test set of molecules. The test set includes molecules composed of atoms from the first three rows of the periodic table as well as transition metals. The accuracy of the auxiliary basis sets are tested for the 6-31G**, correlation consistent, and atomic natural orbital basis sets at the Hartree-Fock, density functional theory, and second-order Møller-Plesset levels of theory. By decreasing the decomposition threshold, a hierarchy of auxiliary basis sets is obtained with accuracies ranging from that of standard auxiliary basis sets to that of conventional integral treatments.

Some comparisons of complexity in dictionary-based and linear computational models.

PubMed

Gnecco, Giorgio; Kůrková, Věra; Sanguineti, Marcello

2011-03-01

Neural networks provide a more flexible approximation of functions than traditional linear regression. In the latter, one can only adjust the coefficients in linear combinations of fixed sets of functions, such as orthogonal polynomials or Hermite functions, while for neural networks, one may also adjust the parameters of the functions which are being combined. However, some useful properties of linear approximators (such as uniqueness, homogeneity, and continuity of best approximation operators) are not satisfied by neural networks. Moreover, optimization of parameters in neural networks becomes more difficult than in linear regression. Experimental results suggest that these drawbacks of neural networks are offset by substantially lower model complexity, allowing accuracy of approximation even in high-dimensional cases. We give some theoretical results comparing requirements on model complexity for two types of approximators, the traditional linear ones and so called variable-basis types, which include neural networks, radial, and kernel models. We compare upper bounds on worst-case errors in variable-basis approximation with lower bounds on such errors for any linear approximator. Using methods from nonlinear approximation and integral representations tailored to computational units, we describe some cases where neural networks outperform any linear approximator. Copyright © 2010 Elsevier Ltd. All rights reserved.

Maximally Entangled States of a Two-Qubit System

NASA Astrophysics Data System (ADS)

Singh, Manu P.; Rajput, B. S.

2013-12-01

Entanglement has been explored as one of the key resources required for quantum computation, the functional dependence of the entanglement measures on spin correlation functions has been established, correspondence between evolution of maximally entangled states (MES) of two-qubit system and representation of SU(2) group has been worked out and the evolution of MES under a rotating magnetic field has been investigated. Necessary and sufficient conditions for the general two-qubit state to be maximally entangled state (MES) have been obtained and a new set of MES constituting a very powerful and reliable eigen basis (different from magic bases) of two-qubit systems has been constructed. In terms of the MES constituting this basis, Bell’s States have been generated and all the qubits of two-qubit system have been obtained. It has shown that a MES corresponds to a point in the SO(3) sphere and an evolution of MES corresponds to a trajectory connecting two points on this sphere. Analysing the evolution of MES under a rotating magnetic field, it has been demonstrated that a rotating magnetic field is equivalent to a three dimensional rotation in real space leading to the evolution of a MES.

Spatial Bayesian latent factor regression modeling of coordinate-based meta-analysis data.

PubMed

Montagna, Silvia; Wager, Tor; Barrett, Lisa Feldman; Johnson, Timothy D; Nichols, Thomas E

2018-03-01

Now over 20 years old, functional MRI (fMRI) has a large and growing literature that is best synthesised with meta-analytic tools. As most authors do not share image data, only the peak activation coordinates (foci) reported in the article are available for Coordinate-Based Meta-Analysis (CBMA). Neuroimaging meta-analysis is used to (i) identify areas of consistent activation; and (ii) build a predictive model of task type or cognitive process for new studies (reverse inference). To simultaneously address these aims, we propose a Bayesian point process hierarchical model for CBMA. We model the foci from each study as a doubly stochastic Poisson process, where the study-specific log intensity function is characterized as a linear combination of a high-dimensional basis set. A sparse representation of the intensities is guaranteed through latent factor modeling of the basis coefficients. Within our framework, it is also possible to account for the effect of study-level covariates (meta-regression), significantly expanding the capabilities of the current neuroimaging meta-analysis methods available. We apply our methodology to synthetic data and neuroimaging meta-analysis datasets. © 2017, The International Biometric Society.

An embedded system for face classification in infrared video using sparse representation

NASA Astrophysics Data System (ADS)

Saavedra M., Antonio; Pezoa, Jorge E.; Zarkesh-Ha, Payman; Figueroa, Miguel

2017-09-01

We propose a platform for robust face recognition in Infrared (IR) images using Compressive Sensing (CS). In line with CS theory, the classification problem is solved using a sparse representation framework, where test images are modeled by means of a linear combination of the training set. Because the training set constitutes an over-complete dictionary, we identify new images by finding their sparsest representation based on the training set, using standard l1-minimization algorithms. Unlike conventional face-recognition algorithms, we feature extraction is performed using random projections with a precomputed binary matrix, as proposed in the CS literature. This random sampling reduces the effects of noise and occlusions such as facial hair, eyeglasses, and disguises, which are notoriously challenging in IR images. Thus, the performance of our framework is robust to these noise and occlusion factors, achieving an average accuracy of approximately 90% when the UCHThermalFace database is used for training and testing purposes. We implemented our framework on a high-performance embedded digital system, where the computation of the sparse representation of IR images was performed by a dedicated hardware using a deeply pipelined architecture on an Field-Programmable Gate Array (FPGA).

Opaque models: Using drugs and dreams to explore the neurobiological basis of mental phenomena.

PubMed

Langlitz, Nicolas

2017-01-01

On the basis of four historical and ethnographic case studies of modeling in neuroscience laboratories, this chapter introduces a distinction between transparent and opaque models. A transparent model is a simplified representation of a real world phenomenon. If it is not patently clear, it is at least much better comprehended than its objects of representation. An opaque model, by contrast, looks at one only partially understood phenomenon to stand in for another partially understood phenomenon. Here, the model is often just as complex as its target. Examples of such opaque models discussed in this chapter are the use of hallucinogen intoxication in humans and animals as well as the dreaming brain as models of psychosis as well as the dreaming brain as a model of consciousness in general. Several functions of opaque models are discussed, ranging from the generation of funding to the formulation of new research questions. While science studies scholars have often emphasized the epistemic fertility of failures of representation, the opacity of hallucinogen intoxications and dreams seems to have diminished the potential to produce positive knowledge from the representational relationship between the supposed models and their targets. Bidirectional comparisons between inebriation, dreaming, and psychosis, however, proved to be generative on the level of basic science. Moreover, the opaque models discussed in this chapter implicated cosmologies that steered research endeavors into certain directions rather than others. © 2017 Elsevier B.V. All rights reserved.

Multimodal representation of limb endpoint position in the posterior parietal cortex.

PubMed

Shi, Ying; Apker, Gregory; Buneo, Christopher A

2013-04-01

Understanding the neural representation of limb position is important for comprehending the control of limb movements and the maintenance of body schema, as well as for the development of neuroprosthetic systems designed to replace lost limb function. Multiple subcortical and cortical areas contribute to this representation, but its multimodal basis has largely been ignored. Regarding the parietal cortex, previous results suggest that visual information about arm position is not strongly represented in area 5, although these results were obtained under conditions in which animals were not using their arms to interact with objects in their environment, which could have affected the relative weighting of relevant sensory signals. Here we examined the multimodal basis of limb position in the superior parietal lobule (SPL) as monkeys reached to and actively maintained their arm position at multiple locations in a frontal plane. On half of the trials both visual and nonvisual feedback of the endpoint of the arm were available, while on the other trials visual feedback was withheld. Many neurons were tuned to arm position, while a smaller number were modulated by the presence/absence of visual feedback. Visual modulation generally took the form of a decrease in both firing rate and variability with limb vision and was associated with more accurate decoding of position at the population level under these conditions. These findings support a multimodal representation of limb endpoint position in the SPL but suggest that visual signals are relatively weakly represented in this area, and only at the population level.

Navigation based on a sensorimotor representation: a virtual reality study

NASA Astrophysics Data System (ADS)

Zetzsche, Christoph; Galbraith, Christopher; Wolter, Johannes; Schill, Kerstin

2007-02-01

We investigate the hypothesis that the basic representation of space which underlies human navigation does not resemble an image-like map and is not restricted by the laws of Euclidean geometry. For this we developed a new experimental technique in which we use the properties of a virtual environment (VE) to directly influence the development of the representation. We compared the navigation performance of human observers under two conditions. Either the VE is consistent with the geometrical properties of physical space and could hence be represented in a map-like fashion, or it contains severe violations of Euclidean metric and planar topology, and would thus pose difficulties for the correct development of such a representation. Performance is not influenced by this difference, suggesting that a map-like representation is not the major basis of human navigation. Rather, the results are consistent with a representation which is similar to a non-planar graph augmented with path length information, or with a sensorimotor representation which combines sensory properties and motor actions. The latter may be seen as part of a revised view of perceptual processes due to recent results in psychology and neurobiology, which indicate that the traditional strict separation of sensory and motor systems is no longer tenable.

Fusion basis for lattice gauge theory and loop quantum gravity

NASA Astrophysics Data System (ADS)

Delcamp, Clement; Dittrich, Bianca; Riello, Aldo

2017-02-01

We introduce a new basis for the gauge-invariant Hilbert space of lattice gauge theory and loop quantum gravity in (2 + 1) dimensions, the fusion basis. In doing so, we shift the focus from the original lattice (or spin-network) structure directly to that of the magnetic (curvature) and electric (torsion) excitations themselves. These excitations are classified by the irreducible representations of the Drinfel'd double of the gauge group, and can be readily "fused" together by studying the tensor product of such representations. We will also describe in detail the ribbon operators that create and measure these excitations and make the quasi-local structure of the observable algebra explicit. Since the fusion basis allows for both magnetic and electric excitations from the onset, it turns out to be a precious tool for studying the large scale structure and coarse-graining flow of lattice gauge theories and loop quantum gravity. This is in neat contrast with the widely used spin-network basis, in which it is much more complicated to account for electric excitations, i.e. for Gauß constraint violations, emerging at larger scales. Moreover, since the fusion basis comes equipped with a hierarchical structure, it readily provides the language to design states with sophisticated multi-scale structures. Another way to employ this hierarchical structure is to encode a notion of subsystems for lattice gauge theories and (2 + 1) gravity coupled to point particles. In a follow-up work, we have exploited this notion to provide a new definition of entanglement entropy for these theories.

Representations and uses of light distribution functions

NASA Astrophysics Data System (ADS)

Lalonde, Paul Albert

1998-11-01

At their lowest level, all rendering algorithms depend on models of local illumination to define the interplay of light with the surfaces being rendered. These models depend both on the representations of light scattering at a surface due to reflection and to an equal extent on the representation of light sources and light fields. Both emission and reflection have in common that they describe how light leaves a surface as a function of direction. Reflection also depends on an incident light direction. Emission can depend on the position on the light source We call the functions representing emission and reflection light distribution functions (LDF's). There are some difficulties to using measured light distribution functions. The data sets are very large-the size of the data grows with the fourth power of the sampling resolution. For example, a bidirectional reflectance distribution function (BRDF) sampled at five degrees angular resolution, which is arguably insufficient to capture highlights and other high frequency effects in the reflection, can easily require one and a half million samples. Once acquired this data requires some form of interpolation to use them. Any compression method used must be efficient, both in space and in the time required to evaluate the function at a point or over a range of points. This dissertation examines a wavelet representation of light distribution functions that addresses these issues. A data structure is presented that allows efficient reconstruction of LDFs for a given set of parameters, making the wavelet representation feasible for rendering tasks. Texture mapping methods that take advantage of our LDF representations are examined, as well as techniques for filtering LDFs, and methods for using wavelet compressed bidirection reflectance distribution functions (BRDFs) and light sources with Monte Carlo path tracing algorithms. The wavelet representation effectively compresses BRDF and emission data while inducing only a small error in the reconstructed signal. The representation can be used to evaluate efficiently some integrals that appear in shading computation which allows fast, accurate computation of local shading. The representation can be used to represent light fields and is used to reconstruct views of environments interactively from a precomputed set of views. The representation of the BRDF also allows the efficient generation of reflected directions for Monte Carlo array tracing applications. The method can be integrated into many different global illumination algorithms, including ray tracers and wavelet radiosity systems.

Tracing the footsteps of Sherlock Holmes: cognitive representations of hypothesis testing.

PubMed

Van Wallendael, L R; Hastie, R

1990-05-01

A well-documented phenomenon in opinion-revision literature is subjects' failure to revise probability estimates for an exhaustive set of mutually exclusive hypotheses in a complementary manner. However, prior research has not addressed the question of whether such behavior simply represents a misunderstanding of mathematical rules, or whether it is a consequence of a cognitive representation of hypotheses that is at odds with the Bayesian notion of a set relationship. Two alternatives to the Bayesian representation, a belief system (Shafer, 1976) and a system of independent hypotheses, were proposed, and three experiments were conducted to examine cognitive representations of hypothesis sets in the testing of multiple competing hypotheses. Subjects were given brief murder mysteries to solve and allowed to request various types of information about the suspects; after having received each new piece of information, subjects rated each suspect's probability of being the murderer. Presence and timing of suspect eliminations were varied in the first two experiments; the final experiment involved the varying of percentages of clues that referred to more than one suspect (for example, all of the female suspects). The noncomplementarity of opinion revisions remained a strong phenomenon in all conditions. Information-search data refuted the idea that subjects represented hypotheses as a Bayesian set; further study of the independent hypotheses theory and Shaferian belief functions as descriptive models is encouraged.

Visual Memories Bypass Normalization.

PubMed

Bloem, Ilona M; Watanabe, Yurika L; Kibbe, Melissa M; Ling, Sam

2018-05-01

How distinct are visual memory representations from visual perception? Although evidence suggests that briefly remembered stimuli are represented within early visual cortices, the degree to which these memory traces resemble true visual representations remains something of a mystery. Here, we tested whether both visual memory and perception succumb to a seemingly ubiquitous neural computation: normalization. Observers were asked to remember the contrast of visual stimuli, which were pitted against each other to promote normalization either in perception or in visual memory. Our results revealed robust normalization between visual representations in perception, yet no signature of normalization occurring between working memory stores-neither between representations in memory nor between memory representations and visual inputs. These results provide unique insight into the nature of visual memory representations, illustrating that visual memory representations follow a different set of computational rules, bypassing normalization, a canonical visual computation.

Visual Memories Bypass Normalization

PubMed Central

Bloem, Ilona M.; Watanabe, Yurika L.; Kibbe, Melissa M.; Ling, Sam

2018-01-01

How distinct are visual memory representations from visual perception? Although evidence suggests that briefly remembered stimuli are represented within early visual cortices, the degree to which these memory traces resemble true visual representations remains something of a mystery. Here, we tested whether both visual memory and perception succumb to a seemingly ubiquitous neural computation: normalization. Observers were asked to remember the contrast of visual stimuli, which were pitted against each other to promote normalization either in perception or in visual memory. Our results revealed robust normalization between visual representations in perception, yet no signature of normalization occurring between working memory stores—neither between representations in memory nor between memory representations and visual inputs. These results provide unique insight into the nature of visual memory representations, illustrating that visual memory representations follow a different set of computational rules, bypassing normalization, a canonical visual computation. PMID:29596038

[Sociophysiology: basic processes of empathy].

PubMed

Haker, Helene; Schimansky, Jenny; Rössler, Wulf

2010-01-01

The aim of this review is to describe sociophysiological and social cognitive processes that underlie the complex phenomenon of human empathy. Automatic reflexive processes such as physiological contagion and action mirroring are mediated by the mirror neuron system. They are a basis for further processing of social signals and a physiological link between two individuals. This link comprises simultaneous activation of shared motor representations. Shared representations lead implicitly via individual associations in the limbic and vegetative system to a shared affective state. These processes are called sociophysiology. Further controlled- reflective, self-referential processing of those social signals leads to explicit, conscious representations of others' minds. Those higher-order processes are called social cognition. The interaction of physiological and cognitive social processes lets arise the phenomenon of human empathy.

Students' meaning making in science: solving energy resource problems in virtual worlds combined with spreadsheets to develop graphs

NASA Astrophysics Data System (ADS)

Krange, Ingeborg; Arnseth, Hans Christian

2012-09-01

The aim of this study is to scrutinize the characteristics of conceptual meaning making when students engage with virtual worlds in combination with a spreadsheet with the aim to develop graphs. We study how these tools and the representations they contain or enable students to construct serve to influence their understanding of energy resource consumption. The data were gathered in 1st grade upper-secondary science classes and they constitute the basis for the interaction analysis of students' meaning making with representations. Our analyses demonstrate the difficulties involved in developing students' orientation toward more conceptual orientations to representations of the knowledge domain. Virtual worlds do not in themselves represent a solution to this problem.

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

Rossi, Tuomas P., E-mail: tuomas.rossi@alumni.aalto.fi; Sakko, Arto; Puska, Martti J.

We present an approach for generating local numerical basis sets of improving accuracy for first-principles nanoplasmonics simulations within time-dependent density functional theory. The method is demonstrated for copper, silver, and gold nanoparticles that are of experimental interest but computationally demanding due to the semi-core d-electrons that affect their plasmonic response. The basis sets are constructed by augmenting numerical atomic orbital basis sets by truncated Gaussian-type orbitals generated by the completeness-optimization scheme, which is applied to the photoabsorption spectra of homoatomic metal atom dimers. We obtain basis sets of improving accuracy up to the complete basis set limit and demonstrate thatmore » the performance of the basis sets transfers to simulations of larger nanoparticles and nanoalloys as well as to calculations with various exchange-correlation functionals. This work promotes the use of the local basis set approach of controllable accuracy in first-principles nanoplasmonics simulations and beyond.« less

Importance of perceptual representation in the visual control of action

NASA Astrophysics Data System (ADS)

Loomis, Jack M.; Beall, Andrew C.; Kelly, Jonathan W.; Macuga, Kristen L.

2005-03-01

In recent years, many experiments have demonstrated that optic flow is sufficient for visually controlled action, with the suggestion that perceptual representations of 3-D space are superfluous. In contrast, recent research in our lab indicates that some visually controlled actions, including some thought to be based on optic flow, are indeed mediated by perceptual representations. For example, we have demonstrated that people are able to perform complex spatial behaviors, like walking, driving, and object interception, in virtual environments which are rendered visible solely by cyclopean stimulation (random-dot cinematograms). In such situations, the absence of any retinal optic flow that is correlated with the objects and surfaces within the virtual environment means that people are using stereo-based perceptual representations to perform the behavior. The fact that people can perform such behaviors without training suggests that the perceptual representations are likely the same as those used when retinal optic flow is present. Other research indicates that optic flow, whether retinal or a more abstract property of the perceptual representation, is not the basis for postural control, because postural instability is related to perceived relative motion between self and the visual surroundings rather than to optic flow, even in the abstract sense.

Rapid tuning shifts in human auditory cortex enhance speech intelligibility

PubMed Central

Holdgraf, Christopher R.; de Heer, Wendy; Pasley, Brian; Rieger, Jochem; Crone, Nathan; Lin, Jack J.; Knight, Robert T.; Theunissen, Frédéric E.

2016-01-01

Experience shapes our perception of the world on a moment-to-moment basis. This robust perceptual effect of experience parallels a change in the neural representation of stimulus features, though the nature of this representation and its plasticity are not well-understood. Spectrotemporal receptive field (STRF) mapping describes the neural response to acoustic features, and has been used to study contextual effects on auditory receptive fields in animal models. We performed a STRF plasticity analysis on electrophysiological data from recordings obtained directly from the human auditory cortex. Here, we report rapid, automatic plasticity of the spectrotemporal response of recorded neural ensembles, driven by previous experience with acoustic and linguistic information, and with a neurophysiological effect in the sub-second range. This plasticity reflects increased sensitivity to spectrotemporal features, enhancing the extraction of more speech-like features from a degraded stimulus and providing the physiological basis for the observed ‘perceptual enhancement' in understanding speech. PMID:27996965

Image restoration for three-dimensional fluorescence microscopy using an orthonormal basis for efficient representation of depth-variant point-spread functions

PubMed Central

Patwary, Nurmohammed; Preza, Chrysanthe

2015-01-01

A depth-variant (DV) image restoration algorithm for wide field fluorescence microscopy, using an orthonormal basis decomposition of DV point-spread functions (PSFs), is investigated in this study. The efficient PSF representation is based on a previously developed principal component analysis (PCA), which is computationally intensive. We present an approach developed to reduce the number of DV PSFs required for the PCA computation, thereby making the PCA-based approach computationally tractable for thick samples. Restoration results from both synthetic and experimental images show consistency and that the proposed algorithm addresses efficiently depth-induced aberration using a small number of principal components. Comparison of the PCA-based algorithm with a previously-developed strata-based DV restoration algorithm demonstrates that the proposed method improves performance by 50% in terms of accuracy and simultaneously reduces the processing time by 64% using comparable computational resources. PMID:26504634

Adaptive Sparse Representation for Source Localization with Gain/Phase Errors

PubMed Central

Sun, Ke; Liu, Yimin; Meng, Huadong; Wang, Xiqin

2011-01-01

Sparse representation (SR) algorithms can be implemented for high-resolution direction of arrival (DOA) estimation. Additionally, SR can effectively separate the coherent signal sources because the spectrum estimation is based on the optimization technique, such as the L1 norm minimization, but not on subspace orthogonality. However, in the actual source localization scenario, an unknown gain/phase error between the array sensors is inevitable. Due to this nonideal factor, the predefined overcomplete basis mismatches the actual array manifold so that the estimation performance is degraded in SR. In this paper, an adaptive SR algorithm is proposed to improve the robustness with respect to the gain/phase error, where the overcomplete basis is dynamically adjusted using multiple snapshots and the sparse solution is adaptively acquired to match with the actual scenario. The simulation results demonstrate the estimation robustness to the gain/phase error using the proposed method. PMID:22163875

Adaptive eigenspace method for inverse scattering problems in the frequency domain

NASA Astrophysics Data System (ADS)

Grote, Marcus J.; Kray, Marie; Nahum, Uri

2017-02-01

A nonlinear optimization method is proposed for the solution of inverse scattering problems in the frequency domain, when the scattered field is governed by the Helmholtz equation. The time-harmonic inverse medium problem is formulated as a PDE-constrained optimization problem and solved by an inexact truncated Newton-type iteration. Instead of a grid-based discrete representation, the unknown wave speed is projected to a particular finite-dimensional basis of eigenfunctions, which is iteratively adapted during the optimization. Truncating the adaptive eigenspace (AE) basis at a (small and slowly increasing) finite number of eigenfunctions effectively introduces regularization into the inversion and thus avoids the need for standard Tikhonov-type regularization. Both analytical and numerical evidence underpins the accuracy of the AE representation. Numerical experiments demonstrate the efficiency and robustness to missing or noisy data of the resulting adaptive eigenspace inversion method.

Analytic representation of FK/Fπ in two loop chiral perturbation theory

NASA Astrophysics Data System (ADS)

Ananthanarayan, B.; Bijnens, Johan; Friot, Samuel; Ghosh, Shayan

2018-05-01

We present an analytic representation of FK/Fπ as calculated in three-flavor two-loop chiral perturbation theory, which involves expressing three mass scale sunsets in terms of Kampé de Fériet series. We demonstrate how approximations may be made to obtain relatively compact analytic representations. An illustrative set of fits using lattice data is also presented, which shows good agreement with existing fits.

Text-to-phonemic transcription and parsing into mono-syllables of English text

NASA Astrophysics Data System (ADS)

Jusgir Mullick, Yugal; Agrawal, S. S.; Tayal, Smita; Goswami, Manisha

2004-05-01

The present paper describes a program that converts the English text (entered through the normal computer keyboard) into its phonemic representation and then parses it into mono-syllables. For every letter a set of context based rules is defined in lexical order. A default rule is also defined separately for each letter. Beginning from the first letter of the word the rules are checked and the most appropriate rule is applied on the letter to find its actual orthographic representation. If no matching rule is found, then the default rule is applied. Current rule sets the next position to be analyzed. Proceeding in the same manner orthographic representation for each word can be found. For example, ``reading'' is represented as ``rEdiNX'' by applying the following rules: r-->r move 1 position ahead ead-->Ed move 3 position ahead i-->i move 1 position ahead ng-->NX move 2 position ahead, i.e., end of word. The phonemic representations obtained from the above procedure are parsed to get mono-syllabic representation for various combinations such as CVC, CVCC, CV, CVCVC, etc. For example, the above phonemic representation will be parsed as rEdiNX---> /rE/ /diNX/. This study is a part of developing TTS for Indian English.

Community representation in hospital decision making: a literature review.

PubMed

Murray, Zoë

2015-06-01

Advancing quality in health services requires structures and processes that are informed by consumer input. Although this agenda is well recognised, few researchers have focussed on the establishment and maintenance of customer input throughout the structures and processes used to produce high-quality, safe care. We present an analysis of literature outlining the barriers and enablers involved in community representation in hospital governance. The review aimed to explore how community representation in hospital governance is achieved. Studies spanning 1997-2012 were analysed using Donabedian' s model of quality systems as a guide for categories of interest: structure, in relation to administration of quality; process, which is particularly concerned with cooperation and culture; and outcome, considered, in this case, to be the achievement of effective community representation on quality of care. There are limited published studies on community representation in hospital governance in Australia. What can be gleaned from the literature is: 1) quality subcommittees set up to assist Hospital Boards are a key structure for involving community representation in decision making around quality of care, and 2) there are a number of challenges to effectively developing the process of community representation in hospital governance: ambiguity and the potential for escalated indecision; inadequate value and consideration given to it by decision makers resulting in a lack of time and resources needed to support the community engagement strategy (time, facilitation, budgets); poor support and attitude amongst staff; and consumer issues, such as feeling isolated and intimidated by expert opinion. The analysis indicates that: quality subcommittees set up to assist boards are a key structure for involving community representation in decision making around quality of care. There are clearly a number of challenges to effectively developing the process of community representation in hospital governance, associated with ambiguity, organisational and consumer issues. For an inclusive agenda to real life, work must be done on understanding the representatives' role and the decision making process, adequately supporting the representational process, and developing organisational cooperation and culture regarding community representation.

Rapid production of optimal-quality reduced-resolution representations of very large databases

DOEpatents

Sigeti, David E.; Duchaineau, Mark; Miller, Mark C.; Wolinsky, Murray; Aldrich, Charles; Mineev-Weinstein, Mark B.

2001-01-01

View space representation data is produced in real time from a world space database representing terrain features. The world space database is first preprocessed. A database is formed having one element for each spatial region corresponding to a finest selected level of detail. A multiresolution database is then formed by merging elements and a strict error metric is computed for each element at each level of detail that is independent of parameters defining the view space. The multiresolution database and associated strict error metrics are then processed in real time for real time frame representations. View parameters for a view volume comprising a view location and field of view are selected. The error metric with the view parameters is converted to a view-dependent error metric. Elements with the coarsest resolution are chosen for an initial representation. Data set first elements from the initial representation data set are selected that are at least partially within the view volume. The first elements are placed in a split queue ordered by the value of the view-dependent error metric. If the number of first elements in the queue meets or exceeds a predetermined number of elements or whether the largest error metric is less than or equal to a selected upper error metric bound, the element at the head of the queue is force split and the resulting elements are inserted into the queue. Force splitting is continued until the determination is positive to form a first multiresolution set of elements. The first multiresolution set of elements is then outputted as reduced resolution view space data representing the terrain features.

Choosing Meteorological Input for the Global Modeling Initiative Assessment of High Speed Aircraft

NASA Technical Reports Server (NTRS)

Douglas, A. R.; Prather, M. P.; Hall, T. M.; Strahan, S. E.; Rasch, P. J.; Sparling, L. C.; Coy, L.; Rodriquez, J. M.

1998-01-01

The Global Modeling Initiative (GMI) science team is developing a three dimensional chemistry and transport model (CTM) to be used in assessment of the atmospheric effects of aviation. Requirements are that this model be documented, be validated against observations, use a realistic atmospheric circulation, and contain numerical transport and photochemical modules representing atmospheric processes. The model must also retain computational efficiency to be tractable to use for multiple scenarios and sensitivity studies. To meet these requirements, a facility model concept was developed in which the different components of the CTM are evaluated separately. The first use of the GMI model will be to evaluate the impact of the exhaust of supersonic aircraft on the stratosphere. The assessment calculations will depend strongly on the wind and temperature fields used by the CTM. Three meteorological data sets for the stratosphere are available to GMI: the National Center for Atmospheric Research Community Climate Model (CCM2), the Goddard Earth Observing System Data Assimilation System (GEOS DAS), and the Goddard Institute for Space Studies general circulation model (GISS). Objective criteria were established by the GMI team to identify the data set which provides the best representation of the stratosphere. Simulations of gases with simple chemical control were chosen to test various aspects of model transport. The three meteorological data sets were evaluated and graded based on their ability to simulate these aspects of stratospheric measurements. This paper describes the criteria used in grading the meteorological fields. The meteorological data set which has the highest score and therefore was selected for GMI is CCM2. This type of objective model evaluation establishes a physical basis for interpretation of differences between models and observations. Further, the method provides a quantitative basis for defining model errors, for discriminating between different models, and for ready re-evaluation of improved models. These in turn will lead to a higher level of confidence in assessment calculations.

A Galerkin Approach to Define Measured Terrain Surfaces with Analytic Basis Vectors to Produce a Compact Representation

DTIC Science & Technology

2010-11-01

defined herein as terrain whose surface deformation due to a single vehicle traversing the surface is negligible, such as paved roads (both asphalt ...ground vehicle reliability predictions. Current application of this work is limited to the analysis of U.S. Highways, comprised of both asphalt and...Highways that are consistent between asphalt and concrete roads b. The principle terrain characteristics are defined with analytic basis vectors

Representation of Time-Relevant Common Data Elements in the Cancer Data Standards Repository: Statistical Evaluation of an Ontological Approach

PubMed Central

Chen, Henry W; Du, Jingcheng; Song, Hsing-Yi; Liu, Xiangyu; Jiang, Guoqian

2018-01-01

Background Today, there is an increasing need to centralize and standardize electronic health data within clinical research as the volume of data continues to balloon. Domain-specific common data elements (CDEs) are emerging as a standard approach to clinical research data capturing and reporting. Recent efforts to standardize clinical study CDEs have been of great benefit in facilitating data integration and data sharing. The importance of the temporal dimension of clinical research studies has been well recognized; however, very few studies have focused on the formal representation of temporal constraints and temporal relationships within clinical research data in the biomedical research community. In particular, temporal information can be extremely powerful to enable high-quality cancer research. Objective The objective of the study was to develop and evaluate an ontological approach to represent the temporal aspects of cancer study CDEs. Methods We used CDEs recorded in the National Cancer Institute (NCI) Cancer Data Standards Repository (caDSR) and created a CDE parser to extract time-relevant CDEs from the caDSR. Using the Web Ontology Language (OWL)–based Time Event Ontology (TEO), we manually derived representative patterns to semantically model the temporal components of the CDEs using an observing set of randomly selected time-related CDEs (n=600) to create a set of TEO ontological representation patterns. In evaluating TEO’s ability to represent the temporal components of the CDEs, this set of representation patterns was tested against two test sets of randomly selected time-related CDEs (n=425). Results It was found that 94.2% (801/850) of the CDEs in the test sets could be represented by the TEO representation patterns. Conclusions In conclusion, TEO is a good ontological model for representing the temporal components of the CDEs recorded in caDSR. Our representative model can harness the Semantic Web reasoning and inferencing functionalities and present a means for temporal CDEs to be machine-readable, streamlining meaningful searches. PMID:29472179

Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C

NASA Astrophysics Data System (ADS)

Witte, Jonathon; Neaton, Jeffrey B.; Head-Gordon, Martin

2017-06-01

With the aim of mitigating the basis set error in density functional theory (DFT) calculations employing local basis sets, we herein develop two empirical corrections for basis set superposition error (BSSE) in the def2-SVPD basis, a basis which—when stripped of BSSE—is capable of providing near-complete-basis DFT results for non-covalent interactions. Specifically, we adapt the existing pairwise geometrical counterpoise (gCP) approach to the def2-SVPD basis, and we develop a beyond-pairwise approach, DFT-C, which we parameterize across a small set of intermolecular interactions. Both gCP and DFT-C are evaluated against the traditional Boys-Bernardi counterpoise correction across a set of 3402 non-covalent binding energies and isomerization energies. We find that the DFT-C method represents a significant improvement over gCP, particularly for non-covalently-interacting molecular clusters. Moreover, DFT-C is transferable among density functionals and can be combined with existing functionals—such as B97M-V—to recover large-basis results at a fraction of the cost.

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

Maiolo, M., E-mail: massimo.maiolo@zhaw.ch; ZHAW, Institut für Angewandte Simulation, Grüental, CH-8820 Wädenswil; Vancheri, A., E-mail: alberto.vancheri@supsi.ch

In this paper, we apply Multiresolution Analysis (MRA) to develop sparse but accurate representations for the Multiscale Coarse-Graining (MSCG) approximation to the many-body potential of mean force. We rigorously framed the MSCG method into MRA so that all the instruments of this theory become available together with a multitude of new basis functions, namely the wavelets. The coarse-grained (CG) force field is hierarchically decomposed at different resolution levels enabling to choose the most appropriate wavelet family for each physical interaction without requiring an a priori knowledge of the details localization. The representation of the CG potential in this new efficientmore » orthonormal basis leads to a compression of the signal information in few large expansion coefficients. The multiresolution property of the wavelet transform allows to isolate and remove the noise from the CG force-field reconstruction by thresholding the basis function coefficients from each frequency band independently. We discuss the implementation of our wavelet-based MSCG approach and demonstrate its accuracy using two different condensed-phase systems, i.e. liquid water and methanol. Simulations of liquid argon have also been performed using a one-to-one mapping between atomistic and CG sites. The latter model allows to verify the accuracy of the method and to test different choices of wavelet families. Furthermore, the results of the computer simulations show that the efficiency and sparsity of the representation of the CG force field can be traced back to the mathematical properties of the chosen family of wavelets. This result is in agreement with what is known from the theory of multiresolution analysis of signals.« less

Modeling salt-mediated electrostatics of macromolecules: the discrete surface charge optimization algorithm and its application to the nucleosome.

PubMed

Beard, D A; Schlick, T

2001-01-01

Much progress has been achieved on quantitative assessment of electrostatic interactions on the all-atom level by molecular mechanics and dynamics, as well as on the macroscopic level by models of continuum solvation. Bridging of the two representations-an area of active research-is necessary for studying integrated functions of large systems of biological importance. Following perspectives of both discrete (N-body) interaction and continuum solvation, we present a new algorithm, DiSCO (Discrete Surface Charge Optimization), for economically describing the electrostatic field predicted by Poisson-Boltzmann theory using a discrete set of Debye-Hückel charges distributed on a virtual surface enclosing the macromolecule. The procedure in DiSCO relies on the linear behavior of the Poisson-Boltzmann equation in the far zone; thus contributions from a number of molecules may be superimposed, and the electrostatic potential, or equivalently the electrostatic field, may be quickly and efficiently approximated by the summation of contributions from the set of charges. The desired accuracy of this approximation is achieved by minimizing the difference between the Poisson-Boltzmann electrostatic field and that produced by the linearized Debye-Hückel approximation using our truncated Newton optimization package. DiSCO is applied here to describe the salt-dependent electrostatic environment of the nucleosome core particle in terms of several hundred surface charges. This representation forms the basis for modeling-by dynamic simulations (or Monte Carlo)-the folding of chromatin. DiSCO can be applied more generally to many macromolecular systems whose size and complexity warrant a model resolution between the all-atom and macroscopic levels. Copyright 2000 John Wiley & Sons, Inc.

Chronic non-communicable diseases, risk and health promotion: social construction of VIGITEL participants.

PubMed

Mássimo, Erika de Azevedo Leitão; de Souza, Hercília Najara Ferreira; Freitas, Maria Imaculada de Fátima

2015-03-01

The dimension of choice and adherence to healthy lifestyles is in the area of social constructions made in representations of individuals and had not yet been included in the Surveillance of Risk and Protective Factors for Chronic Diseases by Telephone Survey (VIGITEL) analysis systems. This article aims to understand, in individual narratives, representations contained in the trajectories of people's lives selected from the 2010 VIGITEL sample, in Belo Horizonte, Minas Gerais. It is a qualitative study based on Social Representation Theory. Thirty in-depth and open interviews with subjects selected from the 2010 VIGITEL sample were conducted in Belo Horizonte in the State of Minas Gerais. The Structural Analysis of Narrative technique was used to reveal the content of speeches. Age and heredity representations related to NCDs are part of the spectrum of current scientific information. Learning from childhood onwards is the basis of care. The lack of comprehension of the pathophysiology of NCDs, and the depth of representations of illness and death related to communicable diseases, is partly responsible for the difficulty of preventing NCDs.

fMRI-based Multivariate Pattern Analyses Reveal Imagery Modality and Imagery Content Specific Representations in Primary Somatosensory, Motor and Auditory Cortices.

PubMed

de Borst, Aline W; de Gelder, Beatrice

2017-08-01

Previous studies have shown that the early visual cortex contains content-specific representations of stimuli during visual imagery, and that these representational patterns of imagery content have a perceptual basis. To date, there is little evidence for the presence of a similar organization in the auditory and tactile domains. Using fMRI-based multivariate pattern analyses we showed that primary somatosensory, auditory, motor, and visual cortices are discriminative for imagery of touch versus sound. In the somatosensory, motor and visual cortices the imagery modality discriminative patterns were similar to perception modality discriminative patterns, suggesting that top-down modulations in these regions rely on similar neural representations as bottom-up perceptual processes. Moreover, we found evidence for content-specific representations of the stimuli during auditory imagery in the primary somatosensory and primary motor cortices. Both the imagined emotions and the imagined identities of the auditory stimuli could be successfully classified in these regions. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

A study of different modeling choices for simulating platelets within the immersed boundary method

PubMed Central

Shankar, Varun; Wright, Grady B.; Fogelson, Aaron L.; Kirby, Robert M.

2012-01-01

The Immersed Boundary (IB) method is a widely-used numerical methodology for the simulation of fluid–structure interaction problems. The IB method utilizes an Eulerian discretization for the fluid equations of motion while maintaining a Lagrangian representation of structural objects. Operators are defined for transmitting information (forces and velocities) between these two representations. Most IB simulations represent their structures with piecewise linear approximations and utilize Hookean spring models to approximate structural forces. Our specific motivation is the modeling of platelets in hemodynamic flows. In this paper, we study two alternative representations – radial basis functions (RBFs) and Fourier-based (trigonometric polynomials and spherical harmonics) representations – for the modeling of platelets in two and three dimensions within the IB framework, and compare our results with the traditional piecewise linear approximation methodology. For different representative shapes, we examine the geometric modeling errors (position and normal vectors), force computation errors, and computational cost and provide an engineering trade-off strategy for when and why one might select to employ these different representations. PMID:23585704

Testing the Hydrological Coherence of High-Resolution Gridded Precipitation and Temperature Data Sets

NASA Astrophysics Data System (ADS)

Laiti, L.; Mallucci, S.; Piccolroaz, S.; Bellin, A.; Zardi, D.; Fiori, A.; Nikulin, G.; Majone, B.

2018-03-01

Assessing the accuracy of gridded climate data sets is highly relevant to climate change impact studies, since evaluation, bias correction, and statistical downscaling of climate models commonly use these products as reference. Among all impact studies those addressing hydrological fluxes are the most affected by errors and biases plaguing these data. This paper introduces a framework, coined Hydrological Coherence Test (HyCoT), for assessing the hydrological coherence of gridded data sets with hydrological observations. HyCoT provides a framework for excluding meteorological forcing data sets not complying with observations, as function of the particular goal at hand. The proposed methodology allows falsifying the hypothesis that a given data set is coherent with hydrological observations on the basis of the performance of hydrological modeling measured by a metric selected by the modeler. HyCoT is demonstrated in the Adige catchment (southeastern Alps, Italy) for streamflow analysis, using a distributed hydrological model. The comparison covers the period 1989-2008 and includes five gridded daily meteorological data sets: E-OBS, MSWEP, MESAN, APGD, and ADIGE. The analysis highlights that APGD and ADIGE, the data sets with highest effective resolution, display similar spatiotemporal precipitation patterns and produce the largest hydrological efficiency indices. Lower performances are observed for E-OBS, MESAN, and MSWEP, especially in small catchments. HyCoT reveals deficiencies in the representation of spatiotemporal patterns of gridded climate data sets, which cannot be corrected by simply rescaling the meteorological forcing fields, as often done in bias correction of climate model outputs. We recommend this framework to assess the hydrological coherence of gridded data sets to be used in large-scale hydroclimatic studies.

Orthogonal bases of invariants in tensor models

NASA Astrophysics Data System (ADS)

Diaz, Pablo; Rey, Soo-Jong

2018-02-01

Representation theory provides an efficient framework to count and classify invariants in tensor models of (gauge) symmetry G d = U( N 1) ⊗ · · · ⊗ U( N d ) . We show that there are two natural ways of counting invariants, one for arbitrary G d and another valid for large rank of G d . We construct basis of invariant operators based on the counting, and compute correlators of their elements. The basis associated with finite rank of G d diagonalizes two-point function. It is analogous to the restricted Schur basis used in matrix models. We comment on future directions for investigation.

Predictive Biomarkers for Linking Disease Pathology and Drug Effect.

PubMed

Mayer, Bernd; Heinzel, Andreas; Lukas, Arno; Perco, Paul

2017-01-01

Productivity in drug R&D continues seeing significant attrition in clinical stage testing. Approval of new molecular entities proceeds with slow pace specifically when it comes to chronic, age-related diseases, calling for new conceptual approaches, methodological implementation and organizational adoption in drug development. Detailed phenotyping of disease presentation together with comprehensive representation of drug mechanism of action is considered as a path forward, and a big data spectrum has become available covering behavioral, clinical and molecular characteristics, the latter combining reductionist and explorative strategies. On this basis integrative analytics in the realm of Systems Biology has emerged, essentially aiming at traversing associations into causal relationships for bridging molecular disease specifics and clinical phenotype surrogates and finally explaining drug response and outcome. From a conceptual perspective bottom-up modeling approaches are available, with dynamical hierarchies as formalism capable of describing clinical findings as emergent properties of an underlying molecular process network comprehensively resembling disease pathology. In such representation biomarker candidates serve as proxy of a molecular process set, at the interface of a corresponding representation of drug mechanism of action allowing patient stratification and prediction of drug response. In practical implementation network analytics on a protein coding gene level has provided a number of example cases for matching disease presentation and drug molecular effect, and workflows combining computational hypothesis generation and experimental evaluation have become available for systematically optimizing biomarker candidate selection. With biomarker-based enrichment strategies in adaptive clinical trials, implementation routes for tackling development attrition are provided. Predictive biomarkers add precision in drug development and as companion diagnostics in clinical practice. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Local unitary representation of braids and N-qubit entanglements

NASA Astrophysics Data System (ADS)

Yu, Li-Wei

2018-03-01

In this paper, by utilizing the idea of stabilizer codes, we give some relationships between one local unitary representation of braid group in N-qubit tensor space and the corresponding entanglement properties of the N-qubit pure state |Ψ >, where the N-qubit state |Ψ > is obtained by applying the braiding operation on the natural basis. Specifically, we show that the separability of |Ψ > =B|0> ^{⊗ N} is closely related to the diagrammatic version of the braid operator B. This may provide us more insights about the topological entanglement and quantum entanglement.

Separability criteria based on Heisenberg–Weyl representation of density matrices

NASA Astrophysics Data System (ADS)

Chang, Jingmei; Cui, Meiyu; Zhang, Tinggui; Fei, Shao-Ming

2018-03-01

Separability is an important problem in theory of quantum entanglement. By using the Bloch representation of quantum states in terms of the Heisenberg–Weyl observable basis, we present a new separability criterion for bipartite quantum systems. It is shown that this criterion can be better than the previous ones in detecting entanglement. The results are generalized to multipartite quantum states. Project supported by the National Natural Science Foundation of China (Grant Nos. 11501153, 11661031, and 11675113) and the National Natural Science Foundation of Hainan Province, China (Grant No. 20161006).

Genetic basis of mitochondrial sorting in cucumber

USDA-ARS?s Scientific Manuscript database

Regeneration of cucumber from cell cultures produces plants with distinct mosaic (MSC) phenotypes, misshapen cotyledons and leaves, reduced fertility, and low seed germination. The MSC phenotypes are paternally transmitted and associated with deletions or under-representations of specific regions of...

Genetic basis of mitochondrial sorting in cucumber

USDA-ARS?s Scientific Manuscript database

Regeneration of cucumber (Cucumis sativus) from cell cultures produces plants with distinct mosaic (MSC) phenotypes, misshapen cotyledons and leaves, reduced fertility, and low seed germination. The MSC phenotypes are paternally transmitted and associated with deletions or under-representations of s...

Robust kernel collaborative representation for face recognition

NASA Astrophysics Data System (ADS)

Huang, Wei; Wang, Xiaohui; Ma, Yanbo; Jiang, Yuzheng; Zhu, Yinghui; Jin, Zhong

2015-05-01

One of the greatest challenges of representation-based face recognition is that the training samples are usually insufficient. In other words, the training set usually does not include enough samples to show varieties of high-dimensional face images caused by illuminations, facial expressions, and postures. When the test sample is significantly different from the training samples of the same subject, the recognition performance will be sharply reduced. We propose a robust kernel collaborative representation based on virtual samples for face recognition. We think that the virtual training set conveys some reasonable and possible variations of the original training samples. Hence, we design a new object function to more closely match the representation coefficients generated from the original and virtual training sets. In order to further improve the robustness, we implement the corresponding representation-based face recognition in kernel space. It is noteworthy that any kind of virtual training samples can be used in our method. We use noised face images to obtain virtual face samples. The noise can be approximately viewed as a reflection of the varieties of illuminations, facial expressions, and postures. Our work is a simple and feasible way to obtain virtual face samples to impose Gaussian noise (and other types of noise) specifically to the original training samples to obtain possible variations of the original samples. Experimental results on the FERET, Georgia Tech, and ORL face databases show that the proposed method is more robust than two state-of-the-art face recognition methods, such as CRC and Kernel CRC.

Theory of quantized systems: formal basis for DEVS/HLA distributed simulation environment

NASA Astrophysics Data System (ADS)

Zeigler, Bernard P.; Lee, J. S.

1998-08-01

In the context of a DARPA ASTT project, we are developing an HLA-compliant distributed simulation environment based on the DEVS formalism. This environment will provide a user- friendly, high-level tool-set for developing interoperable discrete and continuous simulation models. One application is the study of contract-based predictive filtering. This paper presents a new approach to predictive filtering based on a process called 'quantization' to reduce state update transmission. Quantization, which generates state updates only at quantum level crossings, abstracts a sender model into a DEVS representation. This affords an alternative, efficient approach to embedding continuous models within distributed discrete event simulations. Applications of quantization to message traffic reduction are discussed. The theory has been validated by DEVSJAVA simulations of test cases. It will be subject to further test in actual distributed simulations using the DEVS/HLA modeling and simulation environment.

Analytic EoS and PTW strength model recommendation for Starck Ta

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

Sjue, Sky K.; Prime, Michael B.

2016-09-01

The purpose of this document is to provide an analytic EoS and PTW strength model for Starck Ta that can be consistently used between different platforms and simulations at three labs. This should provide a consistent basis for comparison of the results of calculations, but not the best implementation for matching a wide variety of experimental data. Another version using SESAME tables should follow, which will provide a better physical representation over a broader range of conditions. The data sets available at the time only include one Hopkinson bar at a strain rate of 1800/s; a broader range of high-ratemore » calibration data would be preferred. The resulting fit gives the PTW parameter p = 0. To avoid numerical issues, p = 0:001 has been used in FLAG. The PTW parameters that apply above the maximum strain rate in the data use the values from the original publication.« less

An ab initio variationally computed room-temperature line list for (32)S(16)O3.

PubMed

Underwood, Daniel S; Tennyson, Jonathan; Yurchenko, Sergei N

2013-07-07

Ab initio potential energy and dipole moment surfaces are computed for sulfur trioxide (SO3) at the CCSD(T)-F12b level of theory with appropriate triple-zeta basis sets. The analytical representations of these surfaces are used, with a slight correction, to compute pure rotational and rotation-vibration spectra of (32)S(16)O3 using the variational nuclear motion program TROVE. The calculations considered transitions in the region 0-4000 cm(-1) with rotational states up to J = 85. The resulting line list of 174,674,257 transitions is appropriate for modelling room temperature (32)S(16)O3 spectra. Good agreement is found with the observed infrared absorption spectra and the calculations are used to place the measured relative intensities on an absolute scale. A list of 10,878 experimental transitions is provided in a form suitable for inclusion in standard atmospheric and planetary spectroscopic databases.

The OBO Foundry: coordinated evolution of ontologies to support biomedical data integration

PubMed Central

Smith, Barry; Ashburner, Michael; Rosse, Cornelius; Bard, Jonathan; Bug, William; Ceusters, Werner; Goldberg, Louis J; Eilbeck, Karen; Ireland, Amelia; Mungall, Christopher J; Leontis, Neocles; Rocca-Serra, Philippe; Ruttenberg, Alan; Sansone, Susanna-Assunta; Scheuermann, Richard H; Shah, Nigam; Whetzel, Patricia L; Lewis, Suzanna

2010-01-01

The value of any kind of data is greatly enhanced when it exists in a form that allows it to be integrated with other data. One approach to integration is through the annotation of multiple bodies of data using common controlled vocabularies or ‘ontologies’. Unfortunately, the very success of this approach has led to a proliferation of ontologies, which itself creates obstacles to integration. The Open Biomedical Ontologies (OBO) consortium is pursuing a strategy to overcome this problem. Existing OBO ontologies, including the Gene Ontology, are undergoing coordinated reform, and new ontologies are being created on the basis of an evolving set of shared principles governing ontology development. The result is an expanding family of ontologies designed to be interoperable and logically well formed and to incorporate accurate representations of biological reality. We describe this OBO Foundry initiative and provide guidelines for those who might wish to become involved. PMID:17989687

Wavepacket propagation using time-sliced semiclassical initial value methods

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

Wallace, Brett B.; Reimers, Jeffrey R.; School of Chemistry, University of Sydney, Sydney NSW 2006

2004-12-22

A new semiclassical initial value representation (SC-IVR) propagator and a SC-IVR propagator originally introduced by Kay [J. Chem. Phys. 100, 4432 (1994)], are investigated for use in the split-operator method for solving the time-dependent Schroedinger equation. It is shown that the SC-IVR propagators can be derived from a procedure involving modified Filinov filtering of the Van Vleck expression for the semiclassical propagator. The two SC-IVR propagators have been selected for investigation because they avoid the need to perform a coherent state basis set expansion that is necessary in other time-slicing propagation schemes. An efficient scheme for solving the propagators ismore » introduced and can be considered to be a semiclassical form of the effective propagators of Makri [Chem. Phys. Lett. 159, 489 (1989)]. Results from applications to a one-dimensional, two-dimensional, and three-dimensional Hamiltonian for a double-well potential are presented.« less

Dissociative recombination by frame transformation to Siegert pseudostates: A comparison with a numerically solvable model

NASA Astrophysics Data System (ADS)

Hvizdoš, Dávid; Váňa, Martin; Houfek, Karel; Greene, Chris H.; Rescigno, Thomas N.; McCurdy, C. William; Čurík, Roman

2018-02-01

We present a simple two-dimensional model of the indirect dissociative recombination process. The model has one electronic and one nuclear degree of freedom and it can be solved to high precision, without making any physically motivated approximations, by employing the exterior complex scaling method together with the finite-elements method and discrete variable representation. The approach is applied to solve a model for dissociative recombination of H2 + in the singlet ungerade channels, and the results serve as a benchmark to test validity of several physical approximations commonly used in the computational modeling of dissociative recombination for real molecular targets. The second, approximate, set of calculations employs a combination of multichannel quantum defect theory and frame transformation into a basis of Siegert pseudostates. The cross sections computed with the two methods are compared in detail for collision energies from 0 to 2 eV.

Simplification rules for birdtrack operators

NASA Astrophysics Data System (ADS)

Alcock-Zeilinger, J.; Weigert, H.

2017-05-01

This paper derives a set of easy-to-use tools designed to simplify calculations with birdtrack operators comprised of symmetrizers and antisymmetrizers. In particular, we present cancellation rules allowing one to shorten the birdtrack expressions of operators and propagation rules identifying the circumstances under which it is possible to propagate symmetrizers past antisymmetrizers and vice versa. We exhibit the power of these simplification rules by means of a short example in which we apply the tools derived in this paper on a typical operator that can be encountered in the representation theory of 𝖲𝖴 (N ) over the product space V⊗m. These rules form the basis for the construction of compact Hermitian Young projection operators and their transition operators addressed in companion papers [J. Alcock-Zeilinger and H. Weigert, "Compact Hermitian Young projection operators," e-print arXiv:1610.10088 [math-ph] and J. Alcock-Zeilinger and H. Weigert, "Transition operators," e-print arXiv:1610.08802 [math-ph

Managing Spatial Selections With Contextual Snapshots

PubMed Central

Mindek, P; Gröller, M E; Bruckner, S

2014-01-01

Spatial selections are a ubiquitous concept in visualization. By localizing particular features, they can be analysed and compared in different views. However, the semantics of such selections often depend on specific parameter settings and it can be difficult to reconstruct them without additional information. In this paper, we present the concept of contextual snapshots as an effective means for managing spatial selections in visualized data. The selections are automatically associated with the context in which they have been created. Contextual snapshots can also be used as the basis for interactive integrated and linked views, which enable in-place investigation and comparison of multiple visual representations of data. Our approach is implemented as a flexible toolkit with well-defined interfaces for integration into existing systems. We demonstrate the power and generality of our techniques by applying them to several distinct scenarios such as the visualization of simulation data, the analysis of historical documents and the display of anatomical data. PMID:25821284

Set of Frequent Word Item sets as Feature Representation for Text with Indonesian Slang

NASA Astrophysics Data System (ADS)

Sa'adillah Maylawati, Dian; Putri Saptawati, G. A.

2017-01-01

Indonesian slang are commonly used in social media. Due to their unstructured syntax, it is difficult to extract their features based on Indonesian grammar for text mining. To do so, we propose Set of Frequent Word Item sets (SFWI) as text representation which is considered match for Indonesian slang. Besides, SFWI is able to keep the meaning of Indonesian slang with regard to the order of appearance sentence. We use FP-Growth algorithm with adding separation sentence function into the algorithm to extract the feature of SFWI. The experiments is done with text data from social media such as Facebook, Twitter, and personal website. The result of experiments shows that Indonesian slang were more correctly interpreted based on SFWI.

Set processing in a network environment. [data bases and magnetic disks and tapes

NASA Technical Reports Server (NTRS)

Hardgrave, W. T.

1975-01-01

A combination of a local network, a mass storage system, and an autonomous set processor serving as a data/storage management machine is described. Its characteristics include: content-accessible data bases usable from all connected devices; efficient storage/access of large data bases; simple and direct programming with data manipulation and storage management handled by the set processor; simple data base design and entry from source representation to set processor representation with no predefinition necessary; capability available for user sort/order specification; significant reduction in tape/disk pack storage and mounts; flexible environment that allows upgrading hardware/software configuration without causing major interruptions in service; minimal traffic on data communications network; and improved central memory usage on large processors.

Dissimilarity representations in lung parenchyma classification

NASA Astrophysics Data System (ADS)

Sørensen, Lauge; de Bruijne, Marleen

2009-02-01

A good problem representation is important for a pattern recognition system to be successful. The traditional approach to statistical pattern recognition is feature representation. More specifically, objects are represented by a number of features in a feature vector space, and classifiers are built in this representation. This is also the general trend in lung parenchyma classification in computed tomography (CT) images, where the features often are measures on feature histograms. Instead, we propose to build normal density based classifiers in dissimilarity representations for lung parenchyma classification. This allows for the classifiers to work on dissimilarities between objects, which might be a more natural way of representing lung parenchyma. In this context, dissimilarity is defined between CT regions of interest (ROI)s. ROIs are represented by their CT attenuation histogram and ROI dissimilarity is defined as a histogram dissimilarity measure between the attenuation histograms. In this setting, the full histograms are utilized according to the chosen histogram dissimilarity measure. We apply this idea to classification of different emphysema patterns as well as normal, healthy tissue. Two dissimilarity representation approaches as well as different histogram dissimilarity measures are considered. The approaches are evaluated on a set of 168 CT ROIs using normal density based classifiers all showing good performance. Compared to using histogram dissimilarity directly as distance in a emph{k} nearest neighbor classifier, which achieves a classification accuracy of 92.9%, the best dissimilarity representation based classifier is significantly better with a classification accuracy of 97.0% (text{emph{p" border="0" class="imgtopleft"> = 0.046).

Can Children Read Evolutionary Trees?

ERIC Educational Resources Information Center

Ainsworth, Shaaron; Saffer, Jessica

2013-01-01

Representations of the "tree of life" such as cladograms show the history of lineages and their relationships. They are increasingly found in formal and informal learning settings. Unfortunately, there is evidence that these representations can be challenging to interpret correctly. This study explored the question of whether children…

Neural Representations of Physics Concepts.

PubMed

Mason, Robert A; Just, Marcel Adam

2016-06-01

We used functional MRI (fMRI) to assess neural representations of physics concepts (momentum, energy, etc.) in juniors, seniors, and graduate students majoring in physics or engineering. Our goal was to identify the underlying neural dimensions of these representations. Using factor analysis to reduce the number of dimensions of activation, we obtained four physics-related factors that were mapped to sets of voxels. The four factors were interpretable as causal motion visualization, periodicity, algebraic form, and energy flow. The individual concepts were identifiable from their fMRI signatures with a mean rank accuracy of .75 using a machine-learning (multivoxel) classifier. Furthermore, there was commonality in participants' neural representation of physics; a classifier trained on data from all but one participant identified the concepts in the left-out participant (mean accuracy = .71 across all nine participant samples). The findings indicate that abstract scientific concepts acquired in an educational setting evoke activation patterns that are identifiable and common, indicating that science education builds abstract knowledge using inherent, repurposed brain systems. © The Author(s) 2016.

Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets.

PubMed

Saller, Maximilian A C; Habershon, Scott

2017-07-11

Methods for solving the time-dependent Schrödinger equation via basis set expansion of the wave function can generally be categorized as having either static (time-independent) or dynamic (time-dependent) basis functions. We have recently introduced an alternative simulation approach which represents a middle road between these two extremes, employing dynamic (classical-like) trajectories to create a static basis set of Gaussian wavepackets in regions of phase-space relevant to future propagation of the wave function [J. Chem. Theory Comput., 11, 8 (2015)]. Here, we propose and test a modification of our methodology which aims to reduce the size of basis sets generated in our original scheme. In particular, we employ short-time classical trajectories to continuously generate new basis functions for short-time quantum propagation of the wave function; to avoid the continued growth of the basis set describing the time-dependent wave function, we employ Matching Pursuit to periodically minimize the number of basis functions required to accurately describe the wave function. Overall, this approach generates a basis set which is adapted to evolution of the wave function while also being as small as possible. In applications to challenging benchmark problems, namely a 4-dimensional model of photoexcited pyrazine and three different double-well tunnelling problems, we find that our new scheme enables accurate wave function propagation with basis sets which are around an order-of-magnitude smaller than our original trajectory-guided basis set methodology, highlighting the benefits of adaptive strategies for wave function propagation.

Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.

PubMed

Mitin, Alexander V

2013-09-05

The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.

International Classification of Functioning, Disability and Health Core Sets for cerebral palsy, autism spectrum disorder, and attention-deficit-hyperactivity disorder.

PubMed

Schiariti, Verónica; Mahdi, Soheil; Bölte, Sven

2018-05-30

Capturing functional information is crucial in childhood disability. The International Classification of Functioning, Disability and Health (ICF) Core Sets promote assessments of functional abilities and disabilities in clinical practice regarding circumscribed diagnoses. However, the specificity of ICF Core Sets for childhood-onset disabilities has been doubted. This study aimed to identify content commonalities and differences among the ICF Core Sets for cerebral palsy (CP), and the newly developed Core Sets for autism spectrum disorder (ASD) and attention-deficit-hyperactivity disorder (ADHD). The categories within each Core Set were aggregated at the ICF component and chapter levels. Content comparison was conducted using descriptive analyses. The activities and participation component of the ICF was the most covered across all Core Sets. Main differences included representation of ICF components and coverage of ICF chapters within each component. CP included all ICF components, while ADHD and ASD predominantly focused on activities and participation. Environmental factors were highly represented in the ADHD Core Sets (40.5%) compared to the ASD (28%) and CP (27%) Core Sets. International Classification of Functioning, Disability and Health Core Sets for CP, ASD, and ADHD capture both common but also unique functional information, showing the importance of creating condition-specific, ICF-based tools to build functional profiles of individuals with childhood-onset disabilities. The International Classification of Functioning, Disability and Health (ICF) Core Sets for cerebral palsy (CP), autism spectrum disorder (ASD), and attention-deficit-hyperactivity disorder (ADHD) include unique functional information. The ICF-based tools for CP, ASD, and ADHD differ in terms of representation and coverage of ICF components and ICF chapters. Representation of environmental factors uniquely influences functioning and disability across ICF Core Sets for CP, ASD and ADHD. © 2018 Mac Keith Press.

Evaluating and Evolving Metadata in Multiple Dialects

NASA Technical Reports Server (NTRS)

Kozimore, John; Habermann, Ted; Gordon, Sean; Powers, Lindsay

2016-01-01

Despite many long-term homogenization efforts, communities continue to develop focused metadata standards along with related recommendations and (typically) XML representations (aka dialects) for sharing metadata content. Different representations easily become obstacles to sharing information because each representation generally requires a set of tools and skills that are designed, built, and maintained specifically for that representation. In contrast, community recommendations are generally described, at least initially, at a more conceptual level and are more easily shared. For example, most communities agree that dataset titles should be included in metadata records although they write the titles in different ways.

[Shared decision-making and individualized goal setting - a pilot trial using PRISM (Pictorial Representation of Illness and Self Measure) in psychiatric inpatients].

PubMed

Büchi, S; Straub, S; Schwager, U

2010-12-01

Although there is much talk about shared decision making and individualized goal setting, there is a lack of knowledge and knowhow in their realization in daily clinical practice. There is a lack in tools for easy applicable tools to ameliorate person-centred individualized goal setting processes. In three selected psychiatric inpatients the semistructured, theory driven use of PRISM (Pictorial Representation of Illness and Self Measure) in patients with complex psychiatric problems is presented and discussed. PRISM sustains a person-centred individualized process of goal setting and treatment and reinforces the active participation of patients. The process of visualisation and synchronous documentation is validated positively by patients and clinicians. The visual goal setting requires 30 to 45 minutes. In patients with complex psychiatric illness PRISM was used successfully to ameliorate individual goal setting. Specific effects of PRISM-visualisation are actually evaluated in a randomized controlled trial.

Single and Multiple Object Tracking Using a Multi-Feature Joint Sparse Representation.

PubMed

Hu, Weiming; Li, Wei; Zhang, Xiaoqin; Maybank, Stephen

2015-04-01

In this paper, we propose a tracking algorithm based on a multi-feature joint sparse representation. The templates for the sparse representation can include pixel values, textures, and edges. In the multi-feature joint optimization, noise or occlusion is dealt with using a set of trivial templates. A sparse weight constraint is introduced to dynamically select the relevant templates from the full set of templates. A variance ratio measure is adopted to adaptively adjust the weights of different features. The multi-feature template set is updated adaptively. We further propose an algorithm for tracking multi-objects with occlusion handling based on the multi-feature joint sparse reconstruction. The observation model based on sparse reconstruction automatically focuses on the visible parts of an occluded object by using the information in the trivial templates. The multi-object tracking is simplified into a joint Bayesian inference. The experimental results show the superiority of our algorithm over several state-of-the-art tracking algorithms.

Historical evidence for nature disconnection in a 70-year time series of Disney animated films.

PubMed

Prévot-Julliard, Anne-Caroline; Julliard, Romain; Clayton, Susan

2015-08-01

The assumed ongoing disconnection between humans and nature in Western societies represents a profoundly challenging conservation issue. Here, we demonstrate one manifestation of this nature disconnection, via an examination of the representation of natural settings in a 70-year time series of Disney animated films. We found that natural settings are increasingly less present as a representation of outdoor environments in these films. Moreover, these drawn natural settings tend to be more and more human controlled and are less and less complex in terms of the biodiversity they depict. These results demonstrate the increasing nature disconnection of the filmmaking teams, which we consider as a proxy of the Western relation to nature. Additionally, because nature experience of children is partly based on movies, the depleted representation of biodiversity in outdoor environments of Disney films may amplify the current disconnection from nature for children. This reduction in exposure to nature may hinder the implementation of biodiversity conservation measures. © The Author(s) 2014.

Intercomparison and Uncertainty Assessment of Nine Evapotranspiration Estimates Over South America

NASA Astrophysics Data System (ADS)

Sörensson, Anna A.; Ruscica, Romina C.

2018-04-01

This study examines the uncertainties and the representations of anomalies of a set of evapotranspiration products over climatologically distinct regions of South America. The products, coming from land surface models, reanalysis, and remote sensing, are chosen from sources that are readily available to the community of users. The results show that the spatial patterns of maximum uncertainty differ among metrics, with dry regions showing maximum relative uncertainties of annual mean evapotranspiration, while energy-limited regions present maximum uncertainties in the representation of the annual cycle and monsoon regions in the representation of anomalous conditions. Furthermore, it is found that land surface models driven by observed atmospheric fields detect meteorological and agricultural droughts in dry regions unequivocally. The remote sensing products employed do not distinguish all agricultural droughts and this could be attributed to the forcing net radiation. The study also highlights important characteristics of individual data sets and recommends users to include assessments of sensitivity to evapotranspiration data sets in their studies, depending on region and nature of study to be conducted.

Contingency and similarity in response selection.

PubMed

Prinz, Wolfgang

2018-05-09

This paper explores issues of task representation in choice reaction time tasks. How is it possible, and what does it take, to represent such a task in a way that enables a performer to do the task in line with the prescriptions entailed in the instructions? First, a framework for task representation is outlined which combines the implementation of task sets and their use for performance with different kinds of representational operations (pertaining to feature compounds for event codes and code assemblies for task sets, respectively). Then, in a second step, the framework is itself embedded in the bigger picture of the classical debate on the roles of contingency and similarity for the formation of associations. The final conclusion is that both principles are needed and that the operation of similarity at the level of task sets requires and presupposes the operation of contingency at the level of event codes. Copyright © 2018 The Author. Published by Elsevier Inc. All rights reserved.

Neglecting the Left Side of a City Square but Not the Left Side of Its Clock: Prevalence and Characteristics of Representational Neglect

PubMed Central

Guariglia, Cecilia; Palermo, Liana; Piccardi, Laura; Iaria, Giuseppe; Incoccia, Chiara

2013-01-01

Representational neglect, which is characterized by the failure to report left-sided details of a mental image from memory, can occur after a right hemisphere lesion. In this study, we set out to verify the hypothesis that two distinct forms of representational neglect exist, one involving object representation and the other environmental representation. As representational neglect is considered rare, we also evaluated the prevalence and frequency of its association with perceptual neglect. We submitted a group of 96 unselected, consecutive, chronic, right brain-damaged patients to an extensive neuropsychological evaluation that included two representational neglect tests: the Familiar Square Description Test and the O'Clock Test. Representational neglect, as well as perceptual neglect, was present in about one-third of the sample. Most patients neglected the left side of imagined familiar squares but not the left side of imagined clocks. The present data show that representational neglect is not a rare disorder and also support the hypothesis that two different types of mental representations (i.e. topological and non-topological images) may be selectively damaged in representational neglect. PMID:23874416

Commonalities between Perception and Cognition.

PubMed

Tacca, Michela C

2011-01-01

Perception and cognition are highly interrelated. Given the influence that these systems exert on one another, it is important to explain how perceptual representations and cognitive representations interact. In this paper, I analyze the similarities between visual perceptual representations and cognitive representations in terms of their structural properties and content. Specifically, I argue that the spatial structure underlying visual object representation displays systematicity - a property that is considered to be characteristic of propositional cognitive representations. To this end, I propose a logical characterization of visual feature binding as described by Treisman's Feature Integration Theory and argue that systematicity is not only a property of language-like representations, but also of spatially organized visual representations. Furthermore, I argue that if systematicity is taken to be a criterion to distinguish between conceptual and non-conceptual representations, then visual representations, that display systematicity, might count as an early type of conceptual representations. Showing these analogies between visual perception and cognition is an important step toward understanding the interface between the two systems. The ideas here presented might also set the stage for new empirical studies that directly compare binding (and other relational operations) in visual perception and higher cognition.

Commonalities between Perception and Cognition

PubMed Central

Tacca, Michela C.

2011-01-01

Perception and cognition are highly interrelated. Given the influence that these systems exert on one another, it is important to explain how perceptual representations and cognitive representations interact. In this paper, I analyze the similarities between visual perceptual representations and cognitive representations in terms of their structural properties and content. Specifically, I argue that the spatial structure underlying visual object representation displays systematicity – a property that is considered to be characteristic of propositional cognitive representations. To this end, I propose a logical characterization of visual feature binding as described by Treisman’s Feature Integration Theory and argue that systematicity is not only a property of language-like representations, but also of spatially organized visual representations. Furthermore, I argue that if systematicity is taken to be a criterion to distinguish between conceptual and non-conceptual representations, then visual representations, that display systematicity, might count as an early type of conceptual representations. Showing these analogies between visual perception and cognition is an important step toward understanding the interface between the two systems. The ideas here presented might also set the stage for new empirical studies that directly compare binding (and other relational operations) in visual perception and higher cognition. PMID:22144974

ℓ1-norm and entanglement in screening out braiding from Yang-Baxter equation associated with Z3 parafermion

NASA Astrophysics Data System (ADS)

Yu, Li-Wei; Ge, Mo-Lin

2017-03-01

The relationships between quantum entangled states and braid matrices have been well studied in recent years. However, most of the results are based on qubits. In this paper, we investigate the applications of 2-qutrit entanglement in the braiding associated with Z3 parafermion. The 2-qutrit entangled state | Ψ (θ) >, generated by the action of the localized unitary solution R ˘ (θ) of YBE on 2-qutrit natural basis, achieves its maximal ℓ1-norm and maximal von Neumann entropy simultaneously at θ = π / 3. Meanwhile, at θ = π / 3, the solutions of YBE reduces braid matrices, which implies the role of ℓ1-norm and entropy plays in determining real physical quantities. On the other hand, we give a new realization of 4-anyon topological basis by qutrit entangled states, then the 9 × 9 localized braid representation in 4-qutrit tensor product space (C3) ⊗ 4 is reduced to Jones representation of braiding in the 4-anyon topological basis. Hence, we conclude that the entangled states are powerful tools in analysing the characteristics of braiding and R ˘ -matrix.

Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation

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

Mao, Yuezhi; Horn, Paul R.; Mardirossian, Narbe

2016-07-28

Recently developed density functionals have good accuracy for both thermochemistry (TC) and non-covalent interactions (NC) if very large atomic orbital basis sets are used. To approach the basis set limit with potentially lower computational cost, a new self-consistent field (SCF) scheme is presented that employs minimal adaptive basis (MAB) functions. The MAB functions are optimized on each atomic site by minimizing a surrogate function. High accuracy is obtained by applying a perturbative correction (PC) to the MAB calculation, similar to dual basis approaches. Compared to exact SCF results, using this MAB-SCF (PC) approach with the same large target basis set producesmore » <0.15 kcal/mol root-mean-square deviations for most of the tested TC datasets, and <0.1 kcal/mol for most of the NC datasets. The performance of density functionals near the basis set limit can be even better reproduced. With further improvement to its implementation, MAB-SCF (PC) is a promising lower-cost substitute for conventional large-basis calculations as a method to approach the basis set limit of modern density functionals.« less

Applying knowledge engineering and representation methods to improve support vector machine and multivariate probabilistic neural network CAD performance

NASA Astrophysics Data System (ADS)

Land, Walker H., Jr.; Anderson, Frances; Smith, Tom; Fahlbusch, Stephen; Choma, Robert; Wong, Lut

2005-04-01

Achieving consistent and correct database cases is crucial to the correct evaluation of any computer-assisted diagnostic (CAD) paradigm. This paper describes the application of artificial intelligence (AI), knowledge engineering (KE) and knowledge representation (KR) to a data set of ~2500 cases from six separate hospitals, with the objective of removing/reducing inconsistent outlier data. Several support vector machine (SVM) kernels were used to measure diagnostic performance of the original and a "cleaned" data set. Specifically, KE and ER principles were applied to the two data sets which were re-examined with respect to the environment and agents. One data set was found to contain 25 non-characterizable sets. The other data set contained 180 non-characterizable sets. CAD system performance was measured with both the original and "cleaned" data sets using two SVM kernels as well as a multivariate probabilistic neural network (PNN). Results demonstrated: (i) a 10% average improvement in overall Az and (ii) approximately a 50% average improvement in partial Az.

Basic statistics with Microsoft Excel: a review.

PubMed

Divisi, Duilio; Di Leonardo, Gabriella; Zaccagna, Gino; Crisci, Roberto

2017-06-01

The scientific world is enriched daily with new knowledge, due to new technologies and continuous discoveries. The mathematical functions explain the statistical concepts particularly those of mean, median and mode along with those of frequency and frequency distribution associated to histograms and graphical representations, determining elaborative processes on the basis of the spreadsheet operations. The aim of the study is to highlight the mathematical basis of statistical models that regulate the operation of spreadsheets in Microsoft Excel.

Basic statistics with Microsoft Excel: a review

PubMed Central

Di Leonardo, Gabriella; Zaccagna, Gino; Crisci, Roberto

2017-01-01

The scientific world is enriched daily with new knowledge, due to new technologies and continuous discoveries. The mathematical functions explain the statistical concepts particularly those of mean, median and mode along with those of frequency and frequency distribution associated to histograms and graphical representations, determining elaborative processes on the basis of the spreadsheet operations. The aim of the study is to highlight the mathematical basis of statistical models that regulate the operation of spreadsheets in Microsoft Excel. PMID:28740690

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures.

PubMed

Papior, Nick R; Calogero, Gaetano; Brandbyge, Mads

2018-06-27

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C 60 ). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures

NASA Astrophysics Data System (ADS)

Papior, Nick R.; Calogero, Gaetano; Brandbyge, Mads

2018-06-01

We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis calculations, we show how these states can be captured by adding long-range orbitals to the standard LCAO basis sets for the extreme cases of planar sp 2 (graphene) and curved carbon (C60). In particular, using Bessel functions with a long range as additional basis functions retain a minimal basis size. This provides a smaller and simpler atom-centered basis set compared to the standard pseudo-atomic orbitals (PAOs) with multiple polarization orbitals or by adding non-atom-centered states to the basis.

Kronecker-Basis-Representation Based Tensor Sparsity and Its Applications to Tensor Recovery.

PubMed

Xie, Qi; Zhao, Qian; Meng, Deyu; Xu, Zongben

2017-08-02

It is well known that the sparsity/low-rank of a vector/matrix can be rationally measured by nonzero-entries-number ($l_0$ norm)/nonzero- singular-values-number (rank), respectively. However, data from real applications are often generated by the interaction of multiple factors, which obviously cannot be sufficiently represented by a vector/matrix, while a high order tensor is expected to provide more faithful representation to deliver the intrinsic structure underlying such data ensembles. Unlike the vector/matrix case, constructing a rational high order sparsity measure for tensor is a relatively harder task. To this aim, in this paper we propose a measure for tensor sparsity, called Kronecker-basis-representation based tensor sparsity measure (KBR briefly), which encodes both sparsity insights delivered by Tucker and CANDECOMP/PARAFAC (CP) low-rank decompositions for a general tensor. Then we study the KBR regularization minimization (KBRM) problem, and design an effective ADMM algorithm for solving it, where each involved parameter can be updated with closed-form equations. Such an efficient solver makes it possible to extend KBR to various tasks like tensor completion and tensor robust principal component analysis. A series of experiments, including multispectral image (MSI) denoising, MSI completion and background subtraction, substantiate the superiority of the proposed methods beyond state-of-the-arts.

The representation of the back in idiomatic expressions--do idioms value the body?

PubMed

Cedraschi, C; Bove, D; Perrin, E; Vischer, T L

2000-01-01

Whilst investigating the influence of patients' representations on the impact of teaching in the back school, we took an interest in 1) the place of the back in the French idioms referring to the body; and 2) the meaning these idioms convey about the back. The idioms including body part terms were sought on the basis of a compilation of French idioms; it has to be noted that such a compilation, however excellent it may be, can only offer a partial view of lay conversation. Occurrence of body parts and of their connotations were assessed. Idioms were classified as positive, negative or neutral, keeping in mind the difficulties of a strict classification in such a field. Drawings were then performed on the basis of the results of the descriptive analysis. Globally, idiomatic expressions offer a rather negative picture of the body or at least suggest that the body is prominently used to express negative ideas and emotions. This is particularly striking for the idioms associated with the back. The analysis of idioms referring to the body allows us to 'see with our own eyes' another aspect of the representations of the body and the back, as they are conveyed in the French language.

Geohazards storytelling between reality and representation

NASA Astrophysics Data System (ADS)

Musacchio, Gemma; Candela, Andrea; Canel, Samanta; Roi, Cinzia

2015-04-01

Ethics towards geohazards might start at early age and it might radicate on narratives occuring in the media, as disfuctional ideas and perception are passed from school or society to children. In this paper we study the representations and imaginaries of natural hazards as they are in the media and how they are passed on chidren and laypeople. The investigation is led on an experimental basis on primary schools in Northern Italy (Varese province), where data concerning school education are collected. The approach is that of the storytelling that allow evaluation of children perception of hazard and risk. Narratives (news, rhetorics, images and pictures, symbols, metaphores and interpretations) that mass media and education generally used in order to explain and represent geohazards (earthquakes, volcanoes, hydrogeological instability, climate change and so on) are also analysed. They are responsible for certain individual and collective perceptions, indeed. The research has attempted to analyze how imaginaries and common "wrong" ideas can influence environmental education and public communication of natural hazards. A better understanding of feelings (fears and hopes), and all cultural behaviours included in the social construction of collective narratives and representations of environmental emergencies could be useful in order to re-orient education and communication strategies on the basis of more targeted and participatory approaches.

Reconstructing Norms

ERIC Educational Resources Information Center

Gorgorio, Nuria; Planas, Nuria

2005-01-01

Starting from the constructs "cultural scripts" and "social representations", and on the basis of the empirical research we have been developing until now, we revisit the construct norms from a sociocultural perspective. Norms, both sociomathematical norms and norms of the mathematical practice, as cultural scripts influenced…

Dog Mathematics: Exploring Base-4

ERIC Educational Resources Information Center

Kurz, Terri L.; Yanik, H. Bahadir; Lee, Mi Yeon

2016-01-01

Using a dog's paw as a basis for numerical representation, sixth grade students explored how to count and regroup using the dog's four digital pads. Teachers can connect these base-4 explorations to the conceptual meaning of place value and regrouping using base-10.

Prediction of protein structural classes by recurrence quantification analysis based on chaos game representation.

PubMed

Yang, Jian-Yi; Peng, Zhen-Ling; Yu, Zu-Guo; Zhang, Rui-Jie; Anh, Vo; Wang, Desheng

2009-04-21

In this paper, we intend to predict protein structural classes (alpha, beta, alpha+beta, or alpha/beta) for low-homology data sets. Two data sets were used widely, 1189 (containing 1092 proteins) and 25PDB (containing 1673 proteins) with sequence homology being 40% and 25%, respectively. We propose to decompose the chaos game representation of proteins into two kinds of time series. Then, a novel and powerful nonlinear analysis technique, recurrence quantification analysis (RQA), is applied to analyze these time series. For a given protein sequence, a total of 16 characteristic parameters can be calculated with RQA, which are treated as feature representation of protein sequences. Based on such feature representation, the structural class for each protein is predicted with Fisher's linear discriminant algorithm. The jackknife test is used to test and compare our method with other existing methods. The overall accuracies with step-by-step procedure are 65.8% and 64.2% for 1189 and 25PDB data sets, respectively. With one-against-others procedure used widely, we compare our method with five other existing methods. Especially, the overall accuracies of our method are 6.3% and 4.1% higher for the two data sets, respectively. Furthermore, only 16 parameters are used in our method, which is less than that used by other methods. This suggests that the current method may play a complementary role to the existing methods and is promising to perform the prediction of protein structural classes.

Local air temperature tolerance: a sensible basis for estimating climate variability

NASA Astrophysics Data System (ADS)

Kärner, Olavi; Post, Piia

2016-11-01

The customary representation of climate using sample moments is generally biased due to the noticeably nonstationary behaviour of many climate series. In this study, we introduce a moment-free climate representation based on a statistical model fitted to a long-term daily air temperature anomaly series. This model allows us to separate the climate and weather scale variability in the series. As a result, the climate scale can be characterized using the mean annual cycle of series and local air temperature tolerance, where the latter is computed using the fitted model. The representation of weather scale variability is specified using the frequency and the range of outliers based on the tolerance. The scheme is illustrated using five long-term air temperature records observed by different European meteorological stations.

Parents’ Education Shapes, but Does Not Originate, the Disability Representations of Their Children

PubMed Central

Meloni, Fabio; Federici, Stefano; Dennis, John Lawrence

2015-01-01

The present research tested whether children’s disability representations are influenced by cultural variables (e.g., social activities, parent education, custom complex variables) or by cognitive constraints. Four questionnaires were administered to a sample of 76 primary school aged children and one of their parents (n = 152). Questionnaires included both open-ended and closed-ended questions. The open-ended questions were created to collect uncensored personal explanations of disability, whereas the closed-ended questions were designed to elicit a response of agreement for statements built on the basis of the three most widespread disability models: individual, social, and biopsychosocial. For youngest children (6–8 years old), people with disabilities are thought of as being sick. This early disability representation of children is consistent with the individual model of disability and independent from parents’ disability explanations and representations. As children grow older (9–11 years old), knowledge regarding disability increases and stereotypical beliefs about disability decrease, by tending to espouse their parents representations. The individual model remains in the background for the adults too, emerging when the respondents rely on their most immediately available mental representation of disability such as when they respond to an open-ended question. These findings support that the youngest children are not completely permeable to social representations of disability likely due to cognitive constraints. Nevertheless, as the age grows, children appear educable on perspectives of disability adhering to a model of disability representation integral with social context and parent perspective. PMID:26053585

Derivation of a formula for the resonance integral for a nonorthogonal basis set

PubMed Central

Yim, Yung-Chang; Eyring, Henry

1981-01-01

In a self-consistent field calculation, a formula for the off-diagonal matrix elements of the core Hamiltonian is derived for a nonorthogonal basis set by a polyatomic approach. A set of parameters is then introduced for the repulsion integral formula of Mataga-Nishimoto to fit the experimental data. The matrix elements computed for the nonorthogonal basis set in the π-electron approximation are transformed to those for an orthogonal basis set by the Löwdin symmetrical orthogonalization. PMID:16593009

Plane representations of graphs and visibility between parallel segments

NASA Astrophysics Data System (ADS)

Tamassia, R.; Tollis, I. G.

1985-04-01

Several layout compaction strategies for VLSI are based on the concept of visibility between parallel segments, where we say that two parallel segments of a given set are visible if they can be joined by a segment orthogonal to them, which does not intersect any other segment. This paper studies visibility representations of graphs, which are constructed by mapping vertices to horizontal segments, and edges to vertical segments drawn between visible vertex-segments. Clearly, every graph that admits such a representation must be a planar. The authors consider three types of visibility representations, and give complete characterizations of the classes of graphs that admit them. Furthermore, they present linear time algorithms for testing the existence of and constructing visibility representations of planar graphs.

Morality constrains the default representation of what is possible.

PubMed

Phillips, Jonathan; Cushman, Fiery

2017-05-02

The capacity for representing and reasoning over sets of possibilities, or modal cognition, supports diverse kinds of high-level judgments: causal reasoning, moral judgment, language comprehension, and more. Prior research on modal cognition asks how humans explicitly and deliberatively reason about what is possible but has not investigated whether or how people have a default, implicit representation of which events are possible. We present three studies that characterize the role of implicit representations of possibility in cognition. Collectively, these studies differentiate explicit reasoning about possibilities from default implicit representations, demonstrate that human adults often default to treating immoral and irrational events as impossible, and provide a case study of high-level cognitive judgments relying on default implicit representations of possibility rather than explicit deliberation.

[Municipal Health Councils: activity and representation of grassroots communities].

PubMed

Gerschman, Silvia

2004-01-01

This article was based on the results of research concerning health policy in municipalities that achieved the most extensive development of decentralization and innovation in the State of Rio de Janeiro, Brazil. The study applied a questionnaire for health system users' representatives in Municipal Health Councils. The central issues were: the Councils' political role; social control by the Councils, viewed as surveillance by organized society over government actions; the nature of social representation exercised by the Council members; and the type of mandate they serve. Community representatives in the Councils reinforce aspects pertaining to the exercise of representation in unequal societies. There is a predominance of a differentiated elite consisting of older males with more schooling and higher income than the community average. The notion of "social control" as the basis for the Councils is difficult for the members to grasp. Exercise of representation is diffuse, occurring by way of designation by community associations, election in assemblies, or designation by institutional health policy agencies.

Distinguishing Representations as Origin and Representations as Input: Roles for Individual Neurons.

PubMed

Edwards, Jonathan C W

2016-01-01

It is widely perceived that there is a problem in giving a naturalistic account of mental representation that deals adequately with the issue of meaning, interpretation, or significance (semantic content). It is suggested here that this problem may arise partly from the conflation of two vernacular senses of representation: representation-as-origin and representation-as-input. The flash of a neon sign may in one sense represent a popular drink, but to function as a representation it must provide an input to a 'consumer' in the street. The arguments presented draw on two principles - the neuron doctrine and the need for a venue for 'presentation' or 'reception' of a representation at a specified site, consistent with the locality principle. It is also argued that domains of representation cannot be defined by signal traffic, since they can be expected to include 'null' elements based on non-firing cells. In this analysis, mental representations-as-origin are distributed patterns of cell firing. Each firing cell is given semantic value in its own right - some form of atomic propositional significance - since different axonal branches may contribute to integration with different populations of signals at different downstream sites. Representations-as-input are patterns of local co-arrival of signals in the form of synaptic potentials in dendrites. Meaning then draws on the relationships between active and null inputs, forming 'scenarios' comprising a molecular combination of 'premises' from which a new output with atomic propositional significance is generated. In both types of representation, meaning, interpretation or significance pivots on events in an individual cell. (This analysis only applies to 'occurrent' representations based on current neural activity.) The concept of representations-as-input emphasizes the need for an internal 'consumer' of a representation and the dependence of meaning on the co-relationships involved in an input interaction between signals and consumer. The acceptance of this necessity provides a basis for resolving the problem that representations appear both as distributed (representation-as-origin) and as local (representation-as-input). The key implications are that representations in the brain are massively multiple both in series and in parallel, and that individual cells play specific semantic roles. These roles are discussed in relation to traditional concepts of 'gnostic' cell types.

Distinguishing Representations as Origin and Representations as Input: Roles for Individual Neurons

PubMed Central

Edwards, Jonathan C. W.

2016-01-01

It is widely perceived that there is a problem in giving a naturalistic account of mental representation that deals adequately with the issue of meaning, interpretation, or significance (semantic content). It is suggested here that this problem may arise partly from the conflation of two vernacular senses of representation: representation-as-origin and representation-as-input. The flash of a neon sign may in one sense represent a popular drink, but to function as a representation it must provide an input to a ‘consumer’ in the street. The arguments presented draw on two principles – the neuron doctrine and the need for a venue for ‘presentation’ or ‘reception’ of a representation at a specified site, consistent with the locality principle. It is also argued that domains of representation cannot be defined by signal traffic, since they can be expected to include ‘null’ elements based on non-firing cells. In this analysis, mental representations-as-origin are distributed patterns of cell firing. Each firing cell is given semantic value in its own right – some form of atomic propositional significance – since different axonal branches may contribute to integration with different populations of signals at different downstream sites. Representations-as-input are patterns of local co-arrival of signals in the form of synaptic potentials in dendrites. Meaning then draws on the relationships between active and null inputs, forming ‘scenarios’ comprising a molecular combination of ‘premises’ from which a new output with atomic propositional significance is generated. In both types of representation, meaning, interpretation or significance pivots on events in an individual cell. (This analysis only applies to ‘occurrent’ representations based on current neural activity.) The concept of representations-as-input emphasizes the need for an internal ‘consumer’ of a representation and the dependence of meaning on the co-relationships involved in an input interaction between signals and consumer. The acceptance of this necessity provides a basis for resolving the problem that representations appear both as distributed (representation-as-origin) and as local (representation-as-input). The key implications are that representations in the brain are massively multiple both in series and in parallel, and that individual cells play specific semantic roles. These roles are discussed in relation to traditional concepts of ‘gnostic’ cell types. PMID:27746760

TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field

NASA Astrophysics Data System (ADS)

Dziedzic, Jacek; Mao, Yuezhi; Shao, Yihan; Ponder, Jay; Head-Gordon, Teresa; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-09-01

We present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression for the Hamiltonian of the coupled QM/MM system, which we minimize using gradient methods. The QM subsystem is described by the onetep linear-scaling DFT approach, which makes use of strictly localized orbitals expressed in a set of periodic sinc basis functions equivalent to plane waves. The MM subsystem is described by the multipolar, polarizable force field AMOEBA, as implemented in tinker. Distributed multipole analysis is used to obtain, on the fly, a classical representation of the QM subsystem in terms of atom-centered multipoles. This auxiliary representation is used for all polarization interactions between QM and MM, allowing us to treat them on the same footing as in AMOEBA. We validate our method in tests of solute-solvent interaction energies, for neutral and charged molecules, demonstrating the simultaneous optimization of the quantum and classical degrees of freedom. Encouragingly, we find that the inclusion of explicit polarization in the MM part of QM/MM improves the agreement with fully QM calculations.

[The search for a precise method of measurement in psychical experiments].

PubMed

Borck, Cornelius

2002-06-01

In a series of three brief case studies, it is reconstructed how cognition and psychic activity were explored as energetic and economic transformations in a variety of experimental settings. 1. In the 1870s, the German psychiatrist Emil Kraepelin started his search for an objective measurement of cognitive performance in which he engaged over several decades. His investigations resulted in a graphic representation of cognitive efficiency, the "arbeitscurve", delineating the numbers of additions per time interval in close resemblance to representations of machine efficiency. 2. At the turn of the century, the American nutrition scientist and agronomist Wilbur Olin Atwater convinced himself in a series of precision measurements that the human motor was a so perfectly closed input-output system that he rejected any mental surplus in the form of cognitive energy transformations as contradictions to the principle of the conservation of energy. 3. At the beginning of the twentieth century and on the basis of Atwater's results, the German psychiatrist Hans Berger stipulated a special form of psychic energy for mediating between the principle of the conservation of energy and mental causality. Berger attempted to quantify psychic energy as one factor of brain metabolism. In the three cases of precision investigations into psychic life presented here, the experimental space of psychophysiology turned mental activity into a form of machine-like behavior.

Evaluating Common Item Block Options When Faced with Practical Constraints

ERIC Educational Resources Information Center

Wolkowitz, Amanda; Davis-Becker, Susan

2015-01-01

This study evaluates the impact of common item characteristics on the outcome of equating in credentialing examinations when traditionally recommended representation is not possible. This research used real data sets from several credentialing exams to test the impact of content representation, item statistics, and number of common items on…

The Graphic Representation of Structure in Similarity/Dissimilarity Matrices: Alternative Methods.

ERIC Educational Resources Information Center

Rudnitsky, Alan N.

Three approaches to the graphic representation of similarity and dissimilarity matrices are compared and contrasted. Specifically, Kruskal's multidimensional scaling, Johnson's hierarchical clustering, and Waern's graphing techniques are employed to depict, in two dimensions, data representing the structure of a set of botanical concepts. Each of…

Students' Construction of External Representations in Design-Based Learning Situations

ERIC Educational Resources Information Center

de Vries, Erica

2006-01-01

This article develops a theoretical framework for the study of students' construction of mixed multiple external representations in design-based learning situations involving an adaptation of professional tasks and tools to a classroom setting. The framework draws on research on professional design processes and on learning with multiple external…

Visual Representation of Rational Belief Revision: Another Look at the Sleeping Beauty Problem

DTIC Science & Technology

2014-10-29

Retamero and Cokely , 2013). Visual representation is thought to facilitate performance by externalizing the set-subset relations among observa- tional... Cokely , E. T. (2013). Communicating health risks with visual aids. Curr. Dir. Psychol. Sci. 22, 392–399. doi: 10.1177/0963721413491570 Horgan, T. (2004

Shaping Relations: Exploiting Relational Features for Visuospatial Priming

ERIC Educational Resources Information Center

Livins, Katherine A.; Doumas, Leonidas A. A.; Spivey, Michael J.

2016-01-01

Although relational reasoning has been described as a process at the heart of human cognition, the exact character of relational representations remains an open debate. Symbolic-connectionist models of relational cognition suggest that relations are structured representations, but that they are ultimately grounded in feature sets; thus, they…

Content Analysis of Science Teacher Representations in Google Images

ERIC Educational Resources Information Center

Bergman, Daniel

2017-01-01

Teacher images can impact numerous perceptions in educational settings, as well as through popular media. The portrayal of effective science teaching is especially challenging to specify, given the complex nature of science inquiry and other standards-based practices. The present study examined the litany of representations of science teachers…

Systematic Representation of Knowledge of Ecology: Concepts and Relationships.

ERIC Educational Resources Information Center

Garb, Yaakov; And Others

This study describes efforts to apply principles of systematic knowledge representation (concept mapping and computer-based semantic networking techniques) to the domain of ecology. A set of 24 relationships and modifiers is presented that seem sufficient for describing all ecological relationships discussed in an introductory course. Many of…

Quantum cognition based on an ambiguous representation derived from a rough set approximation.

PubMed

Gunji, Yukio-Pegio; Sonoda, Kohei; Basios, Vasileios

2016-03-01

Over the last years, in a series papers by Arecchi and others, a model for the cognitive processes involved in decision making has been proposed and investigated. The key element of this model is the expression of apprehension and judgment, basic cognitive process of decision making, as an inverse Bayes inference classifying the information content of neuron spike trains. It has been shown that for successive plural stimuli this inference, equipped with basic non-algorithmic jumps, is affected by quantum-like characteristics. We show here that such a decision making process is related consistently with an ambiguous representation by an observer within a universe of discourse. In our work the ambiguous representation of an object or a stimuli is defined as a pair of maps from objects of a set to their representations, where these two maps are interrelated in a particular structure. The a priori and a posteriori hypotheses in Bayes inference are replaced by the upper and lower approximations, correspondingly, for the initial data sets that are derived with respect to each map. Upper and lower approximations herein are defined in the context of "rough set" analysis. The inverse Bayes inference is implemented by the lower approximations with respect to the one map and for the upper approximation with respect to the other map for a given data set. We show further that, due to the particular structural relation between the two maps, the logical structure of such combined approximations can only be expressed as an orthomodular lattice and therefore can be represented by a quantum rather than a Boolean logic. To our knowledge, this is the first investigation aiming to reveal the concrete logic structure of inverse Bayes inference in cognitive processes. Copyright © 2016. Published by Elsevier Ireland Ltd.

Completing the physical representation of quantum algorithms provides a retrocausal explanation of the speedup

NASA Astrophysics Data System (ADS)

Castagnoli, Giuseppe

2017-05-01

The usual representation of quantum algorithms, limited to the process of solving the problem, is physically incomplete as it lacks the initial measurement. We extend it to the process of setting the problem. An initial measurement selects a problem setting at random, and a unitary transformation sends it into the desired setting. The extended representation must be with respect to Bob, the problem setter, and any external observer. It cannot be with respect to Alice, the problem solver. It would tell her the problem setting and thus the solution of the problem implicit in it. In the representation to Alice, the projection of the quantum state due to the initial measurement should be postponed until the end of the quantum algorithm. In either representation, there is a unitary transformation between the initial and final measurement outcomes. As a consequence, the final measurement of any ℛ-th part of the solution could select back in time a corresponding part of the random outcome of the initial measurement; the associated projection of the quantum state should be advanced by the inverse of that unitary transformation. This, in the representation to Alice, would tell her, before she begins her problem solving action, that part of the solution. The quantum algorithm should be seen as a sum over classical histories in each of which Alice knows in advance one of the possible ℛ-th parts of the solution and performs the oracle queries still needed to find it - this for the value of ℛ that explains the algorithm's speedup. We have a relation between retrocausality ℛ and the number of oracle queries needed to solve an oracle problem quantumly. All the oracle problems examined can be solved with any value of ℛ up to an upper bound attained by the optimal quantum algorithm. This bound is always in the vicinity of 1/2 . Moreover, ℛ =1/2 always provides the order of magnitude of the number of queries needed to solve the problem in an optimal quantum way. If this were true for any oracle problem, as plausible, it would solve the quantum query complexity problem.

Mesh Oriented datABase

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

Tautges, Timothy J.

MOAB is a component for representing and evaluating mesh data. MOAB can store stuctured and unstructured mesh, consisting of elements in the finite element "zoo". The functional interface to MOAB is simple yet powerful, allowing the representation of many types of metadata commonly found on the mesh. MOAB is optimized for efficiency in space and time, based on access to mesh in chunks rather than through individual entities, while also versatile enough to support individual entity access. The MOAB data model consists of a mesh interface instance, mesh entities (vertices and elements), sets, and tags. Entities are addressed through handlesmore » rather than pointers, to allow the underlying representation of an entity to change without changing the handle to that entity. Sets are arbitrary groupings of mesh entities and other sets. Sets also support parent/child relationships as a relation distinct from sets containing other sets. The directed-graph provided by set parent/child relationships is useful for modeling topological relations from a geometric model or other metadata. Tags are named data which can be assigned to the mesh as a whole, individual entities, or sets. Tags are a mechanism for attaching data to individual entities and sets are a mechanism for describing relations between entities; the combination of these two mechanisms isa powerful yet simple interface for representing metadata or application-specific data. For example, sets and tags can be used together to describe geometric topology, boundary condition, and inter-processor interface groupings in a mesh. MOAB is used in several ways in various applications. MOAB serves as the underlying mesh data representation in the VERDE mesh verification code. MOAB can also be used as a mesh input mechanism, using mesh readers induded with MOAB, or as a t’anslator between mesh formats, using readers and writers included with MOAB.« less

Atomic spectral-product representations of molecular electronic structure: metric matrices and atomic-product composition of molecular eigenfunctions.

PubMed

Ben-Nun, M; Mills, J D; Hinde, R J; Winstead, C L; Boatz, J A; Gallup, G A; Langhoff, P W

2009-07-02

Recent progress is reported in development of ab initio computational methods for the electronic structures of molecules employing the many-electron eigenstates of constituent atoms in spectral-product forms. The approach provides a universal atomic-product description of the electronic structure of matter as an alternative to more commonly employed valence-bond- or molecular-orbital-based representations. The Hamiltonian matrix in this representation is seen to comprise a sum over atomic energies and a pairwise sum over Coulombic interaction terms that depend only on the separations of the individual atomic pairs. Overall electron antisymmetry can be enforced by unitary transformation when appropriate, rather than as a possibly encumbering or unnecessary global constraint. The matrix representative of the antisymmetrizer in the spectral-product basis, which is equivalent to the metric matrix of the corresponding explicitly antisymmetric basis, provides the required transformation to antisymmetric or linearly independent states after Hamiltonian evaluation. Particular attention is focused in the present report on properties of the metric matrix and on the atomic-product compositions of molecular eigenstates as described in the spectral-product representations. Illustrative calculations are reported for simple but prototypically important diatomic (H(2), CH) and triatomic (H(3), CH(2)) molecules employing algorithms and computer codes devised recently for this purpose. This particular implementation of the approach combines Slater-orbital-based one- and two-electron integral evaluations, valence-bond constructions of standard tableau functions and matrices, and transformations to atomic eigenstate-product representations. The calculated metric matrices and corresponding potential energy surfaces obtained in this way elucidate a number of aspects of the spectral-product development, including the nature of closure in the representation, the general redundancy or linear dependence of its explicitly antisymmetrized form, the convergence of the apparently disparate atomic-product and explicitly antisymmetrized atomic-product forms to a common invariant subspace, and the nature of a chemical bonding descriptor provided by the atomic-product compositions of molecular eigenstates. Concluding remarks indicate additional studies in progress and the prognosis for performing atomic spectral-product calculations more generally and efficiently.

Approximations to complete basis set-extrapolated, highly correlated non-covalent interaction energies.

PubMed

Mackie, Iain D; DiLabio, Gino A

2011-10-07

The first-principles calculation of non-covalent (particularly dispersion) interactions between molecules is a considerable challenge. In this work we studied the binding energies for ten small non-covalently bonded dimers with several combinations of correlation methods (MP2, coupled-cluster single double, coupled-cluster single double (triple) (CCSD(T))), correlation-consistent basis sets (aug-cc-pVXZ, X = D, T, Q), two-point complete basis set energy extrapolations, and counterpoise corrections. For this work, complete basis set results were estimated from averaged counterpoise and non-counterpoise-corrected CCSD(T) binding energies obtained from extrapolations with aug-cc-pVQZ and aug-cc-pVTZ basis sets. It is demonstrated that, in almost all cases, binding energies converge more rapidly to the basis set limit by averaging the counterpoise and non-counterpoise corrected values than by using either counterpoise or non-counterpoise methods alone. Examination of the effect of basis set size and electron correlation shows that the triples contribution to the CCSD(T) binding energies is fairly constant with the basis set size, with a slight underestimation with CCSD(T)∕aug-cc-pVDZ compared to the value at the (estimated) complete basis set limit, and that contributions to the binding energies obtained by MP2 generally overestimate the analogous CCSD(T) contributions. Taking these factors together, we conclude that the binding energies for non-covalently bonded systems can be accurately determined using a composite method that combines CCSD(T)∕aug-cc-pVDZ with energy corrections obtained using basis set extrapolated MP2 (utilizing aug-cc-pVQZ and aug-cc-pVTZ basis sets), if all of the components are obtained by averaging the counterpoise and non-counterpoise energies. With such an approach, binding energies for the set of ten dimers are predicted with a mean absolute deviation of 0.02 kcal/mol, a maximum absolute deviation of 0.05 kcal/mol, and a mean percent absolute deviation of only 1.7%, relative to the (estimated) complete basis set CCSD(T) results. Use of this composite approach to an additional set of eight dimers gave binding energies to within 1% of previously published high-level data. It is also shown that binding within parallel and parallel-crossed conformations of naphthalene dimer is predicted by the composite approach to be 9% greater than that previously reported in the literature. The ability of some recently developed dispersion-corrected density-functional theory methods to predict the binding energies of the set of ten small dimers was also examined. © 2011 American Institute of Physics

Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation.

PubMed

Dixit, Anant; Claudot, Julien; Lebègue, Sébastien; Rocca, Dario

2017-06-07

By using a formulation based on the dynamical polarizability, we propose a novel implementation of second-order Møller-Plesset perturbation (MP2) theory within a plane wave (PW) basis set. Because of the intrinsic properties of PWs, this method is not affected by basis set superposition errors. Additionally, results are converged without relying on complete basis set extrapolation techniques; this is achieved by using the eigenvectors of the static polarizability as an auxiliary basis set to compactly and accurately represent the response functions involved in the MP2 equations. Summations over the large number of virtual states are avoided by using a formalism inspired by density functional perturbation theory, and the Lanczos algorithm is used to include dynamical effects. To demonstrate this method, applications to three weakly interacting dimers are presented.

Strategies for ensuring global consistency/comparability of water-quality data

USGS Publications Warehouse

Klein, J.M.

1999-01-01

In the past 20 years the water quality of the United States has improved remarkably-the waters are safer for drinking, swimming, and fishing. However, despite many accomplishments, it is still difficult to answer such basic questions as: 'How clean is the water?' and 'How is it changing over time?' These same questions exist on a global scale as well. In order to focus water-data issues in the United States, a national Intergovernmental Task Force on Monitoring Water Quality (ITFM) was initiated for public and private organizations, whereby key elements involved in data collection, analysis, storage, and management could be made consistent and comparable. The ITFM recommended and its members are implementing a nationwide strategy to improve water-quality monitoring, assessment, and reporting activities. The intent of this paper is to suggest that a voluntary effort be initiated to ensure the comparability and utility of hydrological data on a global basis. Consistent, long-term data sets that are comparable are necessary in order to formulate ideas regarding regional and global trends in water quantity and quality. The author recommends that a voluntary effort similar to the ITFM effort be utilized. The strategy proposed would involve voluntary representation from countries and international organizations (e.g. World Health Organization) involved in drinking-water assessments and/or ambient water-quality monitoring. Voluntary partnerships such as this will improve curability to reduce health risks and achieve a better return on public and private investments in monitoring, environmental protection, and natural resource management, and result in a collaborative process that will save millions of dollars.In this work it is suggested that a voluntary effort be initiated to ensure the comparability and utility of hydrological data on a global basis. The strategy proposed would involve voluntary representation from countries and international organizations involved in drinking-water assessments and/or ambient water-quality monitoring.

Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals

NASA Astrophysics Data System (ADS)

Kutepov, A. L.; Oudovenko, V. S.; Kotliar, G.

2017-10-01

We present a code implementing the linearized quasiparticle self-consistent GW method (LQSGW) in the LAPW basis. Our approach is based on the linearization of the self-energy around zero frequency which differs it from the existing implementations of the QSGW method. The linearization allows us to use Matsubara frequencies instead of working on the real axis. This results in efficiency gains by switching to the imaginary time representation in the same way as in the space time method. The all electron LAPW basis set eliminates the need for pseudopotentials. We discuss the advantages of our approach, such as its N3 scaling with the system size N, as well as its shortcomings. We apply our approach to study the electronic properties of selected semiconductors, insulators, and simple metals and show that our code produces the results very close to the previously published QSGW data. Our implementation is a good platform for further many body diagrammatic resummations such as the vertex-corrected GW approach and the GW+DMFT method. Program Files doi:http://dx.doi.org/10.17632/cpchkfty4w.1 Licensing provisions: GNU General Public License Programming language: Fortran 90 External routines/libraries: BLAS, LAPACK, MPI (optional) Nature of problem: Direct implementation of the GW method scales as N4 with the system size, which quickly becomes prohibitively time consuming even in the modern computers. Solution method: We implemented the GW approach using a method that switches between real space and momentum space representations. Some operations are faster in real space, whereas others are more computationally efficient in the reciprocal space. This makes our approach scale as N3. Restrictions: The limiting factor is usually the memory available in a computer. Using 10 GB/core of memory allows us to study the systems up to 15 atoms per unit cell.

OWL representation of the geologic timescale implementing stratigraphic best practice

NASA Astrophysics Data System (ADS)

Cox, S. J.

2011-12-01

The geologic timescale is a cornerstone of the earth sciences. Versions are available from many sources, with the following being of particular interest: (i) The official International Stratigraphic Chart (ISC) is maintained by the International Commission for Stratigraphy (ICS), following principles developed over the last 40 years. ICS provides the data underlying the chart as part of a specialized software package, and the chart itself as a PDF using the standard colours; (ii) ITC Enschede has developed a representation of the timescale as a thesaurus in SKOS, used in a Web Map Service delivery system; (iii) JPL's SWEET ontology includes a geologic timescale. This takes full advantage of the capabilities of OWL. However, each of these has limitations - The ISC falls down because of incompatibility with web technologies; - While SKOS supports multilingual labelling, SKOS does not adequately support timescale semantics, in particular since it does not include ordering relationships; - The SWEET version (as of version 2) is not fully aligned to the model used by ICS, in particular not recognizing the role of the Global Boundary Stratotype Sections and Point (GSSP). Furthermore, it is distributed as static documents, rather than through a dynamic API using SPARQL. The representation presented in this paper overcomes all of these limitations as follows: - the timescale model is formulated as an OWL ontology - the ontology is directly derived from the UML representation of the ICS best practice proposed by Cox & Richard [2005], and subsequently included as the Geologic Timescale package in GeoSciML (http://www.geosciml.org); this includes links to GSSPs as per the ICS process - key properties in the ontology are also asserted to be subProperties of SKOS properties (topConcept and broader/narrower relations) in order to support SKOS-based queries; SKOS labelling is used to support multi-lingual naming and synonyms - the International Stratigraphic Chart is implemented as a set of instances of classes from the ontology, and published through a SPARQL end-point - the elements of the Stratigraphic chart are linked to the corresponding elements in SWEET (Raskin et al., 2011) and DBpedia to support traceability between different commonly accessed representations. The ontology builds on standard geospatial information models, including the Observations and Measurements model (ISO 19156), and GeoSciML. This allows the ages given in the chart to be linked to the evidence basis found in the associated GeoSciML features.

Geometric representation methods for multi-type self-defining remote sensing data sets

NASA Technical Reports Server (NTRS)

Anuta, P. E.

1980-01-01

Efficient and convenient representation of remote sensing data is highly important for an effective utilization. The task of merging different data types is currently dealt with by treating each case as an individual problem. A description is provided of work which is carried out to standardize the multidata merging process. The basic concept of the new approach is that of the self-defining data set (SDDS). The creation of a standard is proposed. This standard would be such that data which may be of interest in a large number of earth resources remote sensing applications would be in a format which allows convenient and automatic merging. Attention is given to details regarding the multidata merging problem, a geometric description of multitype data sets, image reconstruction from track-type data, a data set generation system, and an example multitype data set.

Representation in development: from a model system to some general processes.

PubMed

Montuori, Luke M; Honey, Robert C

2015-03-01

The view that filial imprinting might serve as a useful model system for studying the neurobiological basis of memory was inspired, at least in part, by a simple idea: acquired filial preferences reflect the formation of a memory or representation of the imprinting object itself, as opposed to the change in the efficacy of stimulus-response pathways, for example. We provide a synthesis of the evidence that supports this idea; and show that the processes of memory formation observed in filial imprinting find surprisingly close counterparts in other species, including our own. Copyright © 2014 Elsevier Ltd. All rights reserved.

Region based route planning - Multi-abstraction route planning based on intermediate level vision processing

NASA Technical Reports Server (NTRS)

Doshi, Rajkumar S.; Lam, Raymond; White, James E.

1989-01-01

Intermediate and high level processing operations are performed on vision data for the organization of images into more meaningful, higher-level topological representations by means of a region-based route planner (RBRP). The RBRP operates in terrain scenarios where some or most of the terrain is occluded, proceeding without a priori maps on the basis of two-dimensional representations and gradient-and-roughness information. Route planning is accomplished by three successive abstractions and yields a detailed point-by-point path by searching only within the boundaries of relatively small regions.

Nucleon Isovector Pairing in Nuclei: Microscopic Approach, Boson Representation, and Collective Model

NASA Astrophysics Data System (ADS)

Jolos, R. V.; Kartavenko, V. G.; Kolganova, E. A.

2018-03-01

Nucleon pair correlations in atomic nuclei are analyzed within a nuclear microscopic model with residual isovector pairing forces. These are formulated in the boson representation of fermion operators whereby the collective mode of pair excitations can be isolated without restricting the size of the one-particle basis. This method allows one to analyze the fluctuations in the nonsuperfluid phase of nuclear matter, its phase transition to the superfluid phase, and strong pair correlations. The performance of the method is exemplified by numerical results for the nuclei in the vicinity of the doubly magic 56Ni nucleus.

The Differential Role of Verbal and Spatial Working Memory in the Neural Basis of Arithmetic

PubMed Central

Demir, Özlem Ece; Prado, Jérôme; Booth, James R.

2014-01-01

We examine the relations of verbal and spatial WM ability to the neural bases of arithmetic in school-age children. We independently localize brain regions subserving verbal versus spatial representations. For multiplication, higher verbal WM ability is associated with greater recruitment of the left temporal cortex, identified by the verbal localizer. For multiplication and subtraction, higher spatial WM ability is associated with greater recruitment of right parietal cortex, identified by the spatial localizer. Depending on their WM ability, children engage different neural systems that manipulate different representations to solve arithmetic problems. PMID:25144257

Change Ringing - communicating climate change through contemporary classical music

NASA Astrophysics Data System (ADS)

Kapur, Ravi; Osborn, Laurence; Shenai, Peter

2016-04-01

Change Ringing is a collaborative artwork by artist Peter Shenai and composer Laurence Osborn that forms around a playable sculpture and a large-scale composition. The sculpture incorporates a set of six bronze bells designed and cast by artist Peter Shenai. Their shapes are mathematically derived from graphic statistical representations of summer temperatures at seventeen-year intervals over the course of the twentieth century. Arranged according to the chronology of their corresponding data sets and struck in order, the bells voice a series of inharmonic spectra that communicate sonically the story of climate change during the twentieth century. This series forms the basis for Laurence Osborn's twenty-five minute composition, scored for string orchestra and the bells themselves. In Change Ringing, an artwork that combines music, sculpture, performance, and ritual, we want to move audiences and, in doing so, facilitate their engagement with ideas that are highly relevant today. We believe that the medium of musically organized sound, so often wrongly dismissed as "abstract" and non-referential, can be a more than adequate reflection of lived human experience in the 21st Century, and we work in the hope that Change Ringing will connect with contemporary audiences on the most fundamental level.

Distinguishable memory retrieval networks for collaboratively and non-collaboratively learned information.

PubMed

Vanlangendonck, Flora; Takashima, Atsuko; Willems, Roel M; Hagoort, Peter

2018-03-01

Learning often occurs in communicative and collaborative settings, yet almost all research into the neural basis of memory relies on participants encoding and retrieving information on their own. We investigated whether learning linguistic labels in a collaborative context at least partly relies on cognitively and neurally distinct representations, as compared to learning in an individual context. Healthy human participants learned labels for sets of abstract shapes in three different tasks. They came up with labels with another person in a collaborative communication task (collaborative condition), by themselves (individual condition), or were given pre-determined unrelated labels to learn by themselves (arbitrary condition). Immediately after learning, participants retrieved and produced the labels aloud during a communicative task in the MRI scanner. The fMRI results show that the retrieval of collaboratively generated labels as compared to individually learned labels engages brain regions involved in understanding others (mentalizing or theory of mind) and autobiographical memory, including the medial prefrontal cortex, the right temporoparietal junction and the precuneus. This study is the first to show that collaboration during encoding affects the neural networks involved in retrieval. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

Concept Systems and Ontologies: Recommendations for Basic Terminology

NASA Astrophysics Data System (ADS)

Klein, Gunnar O.; Smith, Barry

This essay concerns the problems surrounding the use of the term ``concept'' in current ontology and terminology research. It is based on the constructive dialogue between realist ontology on the one hand and the world of formal standardization of health informatics on the other, but its conclusions are not restricted to the domain of medicine. The term ``concept'' is one of the most misused even in literature and technical standards which attempt to bring clarity. In this paper we propose to use the term ``concept'' in the context of producing defined professional terminologies with one specific and consistent meaning which we propose for adoption as the agreed meaning of the term in future terminological research, and specifically in the development of formal terminologies to be used in computer systems. We also discuss and propose new definitions of a set of cognate terms. We describe the relations governing the realm of concepts, and compare these to the richer and more complex set of relations obtaining between entities in the real world. On this basis we also summarize an associated terminology for ontologies as representations of the real world and a partial mapping between the world of concepts and the world of reality.

Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: The atoms Ga-Kr and In-Xe

NASA Astrophysics Data System (ADS)

Martin, Jan M. L.; Sundermann, Andreas

2001-02-01

We propose large-core correlation-consistent (cc) pseudopotential basis sets for the heavy p-block elements Ga-Kr and In-Xe. The basis sets are of cc-pVTZ and cc-pVQZ quality, and have been optimized for use with the large-core (valence-electrons only) Stuttgart-Dresden-Bonn (SDB) relativistic pseudopotentials. Validation calculations on a variety of third-row and fourth-row diatomics suggest them to be comparable in quality to the all-electron cc-pVTZ and cc-pVQZ basis sets for lighter elements. Especially the SDB-cc-pVQZ basis set in conjunction with a core polarization potential (CPP) yields excellent agreement with experiment for compounds of the later heavy p-block elements. For accurate calculations on Ga (and, to a lesser extent, Ge) compounds, explicit treatment of 13 valence electrons appears to be desirable, while it seems inevitable for In compounds. For Ga and Ge, we propose correlation consistent basis sets extended for (3d) correlation. For accurate calculations on organometallic complexes of interest to homogenous catalysis, we recommend a combination of the standard cc-pVTZ basis set for first- and second-row elements, the presently derived SDB-cc-pVTZ basis set for heavier p-block elements, and for transition metals, the small-core [6s5p3d] Stuttgart-Dresden basis set-relativistic effective core potential combination supplemented by (2f1g) functions with exponents given in the Appendix to the present paper.

The effect of training methodology on knowledge representation in categorization.

PubMed

Hélie, Sébastien; Shamloo, Farzin; Ell, Shawn W

2017-01-01

Category representations can be broadly classified as containing within-category information or between-category information. Although such representational differences can have a profound impact on decision-making, relatively little is known about the factors contributing to the development and generalizability of different types of category representations. These issues are addressed by investigating the impact of training methodology and category structures using a traditional empirical approach as well as the novel adaptation of computational modeling techniques from the machine learning literature. Experiment 1 focused on rule-based (RB) category structures thought to promote between-category representations. Participants learned two sets of two categories during training and were subsequently tested on a novel categorization problem using the training categories. Classification training resulted in a bias toward between-category representations whereas concept training resulted in a bias toward within-category representations. Experiment 2 focused on information-integration (II) category structures thought to promote within-category representations. With II structures, there was a bias toward within-category representations regardless of training methodology. Furthermore, in both experiments, computational modeling suggests that only within-category representations could support generalization during the test phase. These data suggest that within-category representations may be dominant and more robust for supporting the reconfiguration of current knowledge to support generalization.

The effect of training methodology on knowledge representation in categorization

PubMed Central

Shamloo, Farzin; Ell, Shawn W.

2017-01-01

Category representations can be broadly classified as containing within–category information or between–category information. Although such representational differences can have a profound impact on decision–making, relatively little is known about the factors contributing to the development and generalizability of different types of category representations. These issues are addressed by investigating the impact of training methodology and category structures using a traditional empirical approach as well as the novel adaptation of computational modeling techniques from the machine learning literature. Experiment 1 focused on rule–based (RB) category structures thought to promote between–category representations. Participants learned two sets of two categories during training and were subsequently tested on a novel categorization problem using the training categories. Classification training resulted in a bias toward between–category representations whereas concept training resulted in a bias toward within–category representations. Experiment 2 focused on information-integration (II) category structures thought to promote within–category representations. With II structures, there was a bias toward within–category representations regardless of training methodology. Furthermore, in both experiments, computational modeling suggests that only within–category representations could support generalization during the test phase. These data suggest that within–category representations may be dominant and more robust for supporting the reconfiguration of current knowledge to support generalization. PMID:28846732