Fourier-Hermite communications; where Fourier meets Hermite
Korevaar, C.W.; Kokkeler, Andre B.J.; de Boer, Pieter-Tjerk; Smit, Gerardus Johannes Maria
A new signal set, based on the Fourier and Hermite signal bases, is introduced. It combines properties of the Fourier basis signals with the perfect time-frequency localization of the Hermite functions. The signal set is characterized by both a high spectral efficiency and good time-frequency
Cardinal Basis Piecewise Hermite Interpolation on Fuzzy Data
Directory of Open Access Journals (Sweden)
H. Vosoughi
2016-01-01
Full Text Available A numerical method along with explicit construction to interpolation of fuzzy data through the extension principle results by widely used fuzzy-valued piecewise Hermite polynomial in general case based on the cardinal basis functions, which satisfy a vanishing property on the successive intervals, has been introduced here. We have provided a numerical method in full detail using the linear space notions for calculating the presented method. In order to illustrate the method in computational examples, we take recourse to three prime cases: linear, cubic, and quintic.
Closed-form expressions for time-frequency operations involving Hermite functions
Korevaar, C.W.; Oude Alink, M.S.; de Boer, Pieter-Tjerk; Kokkeler, Andre B.J.; Smit, Gerardus Johannes Maria
2016-01-01
The product, convolution, correlation, Wigner distribution function (WDF) and ambiguity function (AF) of two Hermite functions of arbitrary order n and m are derived and expressed as a bounded, weighted sum of n+m Hermite functions. It was already known that these mathematical operations performed
International Nuclear Information System (INIS)
Smirnov, V.N.; Strokovskii, G.A.
1994-01-01
An analytical form of expansion coefficients of a diffracted field for an arbitrary Hermite-Gaussian beam in an alien Hermite-Gaussian basis is obtained. A possible physical interpretation of the well-known Young phenomenological diffraction principle and experiments on diffraction of Hermite-Gaussian beams of the lowest types (n = 0 - 5) from half-plane are discussed. The case of nearly homogenous expansion corresponding to misalignment and mismatch of optical systems is also analyzed. 7 refs., 2 figs
Modulated Hermite series expansions and the time-bandwidth product
Brinker, den A.C.; Sarroukh, B.E.
2000-01-01
The harmonically modulated Hermite series constitute an orthonormal basis in the Hilbert space of square-integrable functions. This basis comprises three free parameters, namely a translation, a modulation, and a scale factor. In practical situations, we are interested in series expansions that are
Hermite-Hadamard type inequalities for GA-s-convex functions
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İmdat İşcan
2014-10-01
Full Text Available In this paper, The author introduces the concepts of the GA-s-convex functions in the first sense and second sense and establishes some integral inequalities of Hermite-Hadamard type related to the GA-s-convex functions. Some applications to special means of real numbers are also given.
Directory of Open Access Journals (Sweden)
Yu-Mei Bai
2018-01-01
Full Text Available We establish some new Hermite-Hadamard type integral inequalities for functions whose second-order mixed derivatives are coordinated (s,m-P-convex. An expression form of Hermite-Hadamard type integral inequalities via the beta function and the hypergeometric function is also presented. Our results provide a significant complement to the work of Wu et al. involving the Hermite-Hadamard type inequalities for coordinated (s,m-P-convex functions in an earlier article.
Jitter-Robust Orthogonal Hermite Pulses for Ultra-Wideband Impulse Radio Communications
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Ryuji Kohno
2005-03-01
Full Text Available The design of a class of jitter-robust, Hermite polynomial-based, orthogonal pulses for ultra-wideband impulse radio (UWB-IR communications systems is presented. A unified and exact closed-form expression of the auto- and cross-correlation functions of Hermite pulses is provided. Under the assumption that jitter values are sufficiently smaller than pulse widths, this formula is used to decompose jitter-shifted pulses over an orthonormal basis of the Hermite space. For any given jitter probability density function (pdf, the decomposition yields an equivalent distribution of N-by-N matrices which simplifies the convolutional jitter channel model onto a multiplicative matrix model. The design of jitter-robust orthogonal pulses is then transformed into a generalized eigendecomposition problem whose solution is obtained with a Jacobi-like simultaneous diagonalization algorithm applied over a subset of samples of the channel matrix distribution. Examples of the waveforms obtained with the proposed design and their improved auto- and cross-correlation functions are given. Simulation results are presented, which demonstrate the superior performance of a pulse-shape modulated (PSM- UWB-IR system using the proposed pulses, over the same system using conventional orthogonal Hermite pulses, in jitter channels with additive white Gaussian noise (AWGN.
Time-Frequency Analysis and Hermite Projection Method Applied to Swallowing Accelerometry Signals
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Ervin Sejdić
2010-01-01
Full Text Available Fast Hermite projections have been often used in image-processing procedures such as image database retrieval, projection filtering, and texture analysis. In this paper, we propose an innovative approach for the analysis of one-dimensional biomedical signals that combines the Hermite projection method with time-frequency analysis. In particular, we propose a two-step approach to characterize vibrations of various origins in swallowing accelerometry signals. First, by using time-frequency analysis we obtain the energy distribution of signal frequency content in time. Second, by using fast Hermite projections we characterize whether the analyzed time-frequency regions are associated with swallowing or other phenomena (vocalization, noise, bursts, etc.. The numerical analysis of the proposed scheme clearly shows that by using a few Hermite functions, vibrations of various origins are distinguishable. These results will be the basis for further analysis of swallowing accelerometry to detect swallowing difficulties.
On the Equisummability of Hermite and Fourier Expansions
Indian Academy of Sciences (India)
We prove an equisummability result for the Fourier expansions and Hermite expansions as well as special Hermite expansions. We also prove the uniform boundedness of the Bochner-Riesz means associated to the Hermite expansions for polyradial functions.
On some Hermite series identities and their applications to Gabor analysis
DEFF Research Database (Denmark)
Lemvig, Jakob
2016-01-01
We prove some infinite series identities for the Hermite functions. From these identities we disprove the Gabor frame set conjecture for Hermite functions of order (Formula presented.) and (Formula presented.) for (Formula presented.). The results hold not only for Hermite functions, but for two ...... large classes of eigenfunctions of the Fourier transform associated with the eigenvalues (Formula presented.) and i, and the results indicate that the Gabor frame set of all such functions must have a rather complicated structure....
Discrete linear canonical transforms based on dilated Hermite functions.
Pei, Soo-Chang; Lai, Yun-Chiu
2011-08-01
Linear canonical transform (LCT) is very useful and powerful in signal processing and optics. In this paper, discrete LCT (DLCT) is proposed to approximate LCT by utilizing the discrete dilated Hermite functions. The Wigner distribution function is also used to investigate DLCT performances in the time-frequency domain. Compared with the existing digital computation of LCT, our proposed DLCT possess additivity and reversibility properties with no oversampling involved. In addition, the length of input/output signals will not be changed before and after the DLCT transformations, which is consistent with the time-frequency area-preserving nature of LCT; meanwhile, the proposed DLCT has very good approximation of continuous LCT.
Hermite Functional Link Neural Network for Solving the Van der Pol-Duffing Oscillator Equation.
Mall, Susmita; Chakraverty, S
2016-08-01
Hermite polynomial-based functional link artificial neural network (FLANN) is proposed here to solve the Van der Pol-Duffing oscillator equation. A single-layer hermite neural network (HeNN) model is used, where a hidden layer is replaced by expansion block of input pattern using Hermite orthogonal polynomials. A feedforward neural network model with the unsupervised error backpropagation principle is used for modifying the network parameters and minimizing the computed error function. The Van der Pol-Duffing and Duffing oscillator equations may not be solved exactly. Here, approximate solutions of these types of equations have been obtained by applying the HeNN model for the first time. Three mathematical example problems and two real-life application problems of Van der Pol-Duffing oscillator equation, extracting the features of early mechanical failure signal and weak signal detection problems, are solved using the proposed HeNN method. HeNN approximate solutions have been compared with results obtained by the well known Runge-Kutta method. Computed results are depicted in term of graphs. After training the HeNN model, we may use it as a black box to get numerical results at any arbitrary point in the domain. Thus, the proposed HeNN method is efficient. The results reveal that this method is reliable and can be applied to other nonlinear problems too.
Wigner distribution function of Hermite-cosine-Gaussian beams through an apertured optical system.
Sun, Dong; Zhao, Daomu
2005-08-01
By introducing the hard-aperture function into a finite sum of complex Gaussian functions, the approximate analytical expressions of the Wigner distribution function for Hermite-cosine-Gaussian beams passing through an apertured paraxial ABCD optical system are obtained. The analytical results are compared with the numerically integrated ones, and the absolute errors are also given. It is shown that the analytical results are proper and that the calculation speed for them is much faster than for the numerical results.
Coherent mode decomposition using mixed Wigner functions of Hermite-Gaussian beams.
Tanaka, Takashi
2017-04-15
A new method of coherent mode decomposition (CMD) is proposed that is based on a Wigner-function representation of Hermite-Gaussian beams. In contrast to the well-known method using the cross spectral density (CSD), it directly determines the mode functions and their weights without solving the eigenvalue problem. This facilitates the CMD of partially coherent light whose Wigner functions (and thus CSDs) are not separable, in which case the conventional CMD requires solving an eigenvalue problem with a large matrix and thus is numerically formidable. An example is shown regarding the CMD of synchrotron radiation, one of the most important applications of the proposed method.
Using harmonic oscillators to determine the spot size of Hermite-Gaussian laser beams
Steely, Sidney L.
1993-01-01
The similarity of the functional forms of quantum mechanical harmonic oscillators and the modes of Hermite-Gaussian laser beams is illustrated. This functional similarity provides a direct correlation to investigate the spot size of large-order mode Hermite-Gaussian laser beams. The classical limits of a corresponding two-dimensional harmonic oscillator provide a definition of the spot size of Hermite-Gaussian laser beams. The classical limits of the harmonic oscillator provide integration limits for the photon probability densities of the laser beam modes to determine the fraction of photons detected therein. Mathematica is used to integrate the probability densities for large-order beam modes and to illustrate the functional similarities. The probabilities of detecting photons within the classical limits of Hermite-Gaussian laser beams asymptotically approach unity in the limit of large-order modes, in agreement with the Correspondence Principle. The classical limits for large-order modes include all of the nodes for Hermite Gaussian laser beams; Sturm's theorem provides a direct proof.
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Elmira Ashpazzadeh
2018-04-01
Full Text Available A numerical technique based on the Hermite interpolant multiscaling functions is presented for the solution of Convection-diusion equations. The operational matrices of derivative, integration and product are presented for multiscaling functions and are utilized to reduce the solution of linear Convection-diusion equation to the solution of algebraic equations. Because of sparsity of these matrices, this method is computationally very attractive and reduces the CPU time and computer memory. Illustrative examples are included to demonstrate the validity and applicability of the new technique.
Hermite scatterers in an ultraviolet sky
Parker, Kevin J.
2017-12-01
The scattering from spherical inhomogeneities has been a major historical topic in acoustics, optics, and electromagnetics and the phenomenon shapes our perception of the world including the blue sky. The long wavelength limit of ;Rayleigh scattering; is characterized by intensity proportional to k4 (or λ-4) where k is the wavenumber and λ is the wavelength. With the advance of nanotechnology, it is possible to produce scatterers that are inhomogeneous with material properties that are functions of radius r, such as concentric shells. We demonstrate that with proper choice of material properties linked to the Hermite polynomials in r, scatterers can have long wavelength scattering behavior of higher powers: k8, k16, and higher. These ;Hermite scatterers; could be useful in providing unique signatures (or colors) to regions where they are present. If suspended in air under white light, the back-scattered spectrum would be shifted from blue towards violet and then ultraviolet as the higher order Hermite scatterers were illuminated.
Concentric layered Hermite scatterers
Astheimer, Jeffrey P.; Parker, Kevin J.
2018-05-01
The long wavelength limit of scattering from spheres has a rich history in optics, electromagnetics, and acoustics. Recently it was shown that a common integral kernel pertains to formulations of weak spherical scatterers in both acoustics and electromagnetic regimes. Furthermore, the relationship between backscattered amplitude and wavenumber k was shown to follow power laws higher than the Rayleigh scattering k2 power law, when the inhomogeneity had a material composition that conformed to a Gaussian weighted Hermite polynomial. Although this class of scatterers, called Hermite scatterers, are plausible, it may be simpler to manufacture scatterers with a core surrounded by one or more layers. In this case the inhomogeneous material property conforms to a piecewise continuous constant function. We demonstrate that the necessary and sufficient conditions for supra-Rayleigh scattering power laws in this case can be stated simply by considering moments of the inhomogeneous function and its spatial transform. This development opens an additional path for construction of, and use of scatterers with unique power law behavior.
Microscopic universality of complex matrix model correlation functions at weak non-Hermiticity
International Nuclear Information System (INIS)
Akemann, G.
2002-01-01
The microscopic correlation functions of non-chiral random matrix models with complex eigenvalues are analyzed for a wide class of non-Gaussian measures. In the large-N limit of weak non-Hermiticity, where N is the size of the complex matrices, we can prove that all k-point correlation functions including an arbitrary number of Dirac mass terms are universal close to the origin. To this aim we establish the universality of the asymptotics of orthogonal polynomials in the complex plane. The universality of the correlation functions then follows from that of the kernel of orthogonal polynomials and a mapping of massive to massless correlators
Hermiticity and gauge invariance
International Nuclear Information System (INIS)
Treder, H.J.
1987-01-01
In the Theory of Hermitian Relativity (HRT) the postulates of hermiticity and gauge invariance are formulated in different ways, due to a different understanding of the idea of hermiticity. However all hermitian systems of equations have to satisfy Einstein's weak system of equations being equivalent to Einstein-Schroedinger equations. (author)
On the equisummability of Hermite and Fourier expansions
Indian Academy of Sciences (India)
is the Fourier transform on Rn. Let ب ; 2 Nn be the n-dimensional Hermite functions which are eigenfunctions of the Hermite operator H ¼ ہء jxj. 2 with the eigenvalue. ً2j j nق where j j ¼ 1 ءءء n. Let Pk be the orthogonal projection of L 2ًRnق onto the kth eigenspace spanned by ب ; j j ¼ k. More precisely,. Pk fًxق ¼. X j j¼k. Z.
Steerability of Hermite Kernel
Czech Academy of Sciences Publication Activity Database
Yang, Bo; Flusser, Jan; Suk, Tomáš
2013-01-01
Roč. 27, č. 4 (2013), 1354006-1-1354006-25 ISSN 0218-0014 R&D Projects: GA ČR GAP103/11/1552 Institutional support: RVO:67985556 Keywords : Hermite polynomials * Hermite kernel * steerability * adaptive filtering Subject RIV: JD - Computer Applications, Robotics Impact factor: 0.558, year: 2013 http://library.utia.cas.cz/separaty/2013/ZOI/yang-0394387. pdf
Dechevsky, Lubomir T.; Bang, Børre; Laksa˚, Arne; Zanaty, Peter
2011-12-01
At the Seventh International Conference on Mathematical Methods for Curves and Surfaces, To/nsberg, Norway, in 2008, several new constructions for Hermite interpolation on scattered point sets in domains in Rn,n∈N, combined with smooth convex partition of unity for several general types of partitions of these domains were proposed in [1]. All of these constructions were based on a new type of B-splines, proposed by some of the authors several years earlier: expo-rational B-splines (ERBS) [3]. In the present communication we shall provide more details about one of these constructions: the one for the most general class of domain partitions considered. This construction is based on the use of two separate families of basis functions: one which has all the necessary Hermite interpolation properties, and another which has the necessary properties of a smooth convex partition of unity. The constructions of both of these two bases are well-known; the new part of the construction is the combined use of these bases for the derivation of a new basis which enjoys having all above-said interpolation and unity partition properties simultaneously. In [1] the emphasis was put on the use of radial basis functions in the definitions of the two initial bases in the construction; now we shall put the main emphasis on the case when these bases consist of tensor-product B-splines. This selection provides two useful advantages: (A) it is easier to compute higher-order derivatives while working in Cartesian coordinates; (B) it becomes clear that this construction becomes a far-going extension of tensor-product constructions. We shall provide 3-dimensional visualization of the resulting bivariate bases, using tensor-product ERBS. In the main tensor-product variant, we shall consider also replacement of ERBS with simpler generalized ERBS (GERBS) [2], namely, their simplified polynomial modifications: the Euler Beta-function B-splines (BFBS). One advantage of using BFBS instead of ERBS
Squeezed states and Hermite polynomials in a complex variable
International Nuclear Information System (INIS)
Ali, S. Twareque; Górska, K.; Horzela, A.; Szafraniec, F. H.
2014-01-01
Following the lines of the recent paper of J.-P. Gazeau and F. H. Szafraniec [J. Phys. A: Math. Theor. 44, 495201 (2011)], we construct here three types of coherent states, related to the Hermite polynomials in a complex variable which are orthogonal with respect to a non-rotationally invariant measure. We investigate relations between these coherent states and obtain the relationship between them and the squeezed states of quantum optics. We also obtain a second realization of the canonical coherent states in the Bargmann space of analytic functions, in terms of a squeezed basis. All this is done in the flavor of the classical approach of V. Bargmann [Commun. Pure Appl. Math. 14, 187 (1961)
Explicit formulae for the generalized Hermite polynomials in superspace
International Nuclear Information System (INIS)
Desrosiers, Patrick; Lapointe, Luc; Mathieu, Pierre
2004-01-01
We provide explicit formulae for the orthogonal eigenfunctions of the supersymmetric extension of the rational Calogero-Moser-Sutherland model with harmonic confinement, i.e., the generalized Hermite (or Hi-Jack) polynomials in superspace. The construction relies on the triangular action of the Hamiltonian on the supermonomial basis. This translates into determinantal expressions for the Hamiltonian's eigenfunctions
Expression of ionotropic receptors in terrestrial hermit crab’s olfactory sensory neurons
Directory of Open Access Journals (Sweden)
Katrin Christine Groh-Lunow
2015-02-01
Full Text Available Coenobitidae are one out of at least five crustacean lineages which independently succeeded in the transition from water to land. This change in lifestyle required adaptation of the peripheral olfactory organs, the antennules, in order to sense chemical cues in the new terrestrial habitat. Hermit crab olfactory aesthetascs are arranged in a field on the distal segment of the antennular flagellum. Aesthetascs house approximately 300 dendrites with their cell bodies arranged in spindle-like complexes of ca. 150 cell bodies each. While the aesthetascs of aquatic crustaceans have been shown to be the place of odor uptake and previous studies identified ionotropic receptors (IRs as the putative chemosensory receptors expressed in decapod antennules, the expression of IRs besides the IR co-receptors IR25a and IR93a in olfactory sensory neurons (OSNs has not been documented yet. Our goal was to reveal the expression and distribution pattern of non-co-receptor IRs in OSNs of Coenobita clypeatus, a terrestrial hermit crab, with RNA in situ hybridization. We expanded our previously published RNAseq dataset, and revealed 22 novel IR candidates in the Coenobita antennules. We then used RNA probes directed against three different IRs to visualize their expression within the OSN cell body complexes. Furthermore we aimed to characterize ligand spectra of single aesthetascs by recording local field potentials and responses from individual dendrites. This also allowed comparison to functional data from insect OSNs expressing antennal IRs. We show that this orphan receptor subgroup with presumably non-olfactory function in insects is likely the basis of olfaction in terrestrial hermit crabs.
O(N) symmetries, sum rules for generalized Hermite polynomials and squeezed states
International Nuclear Information System (INIS)
Daboul, Jamil; Mizrahi, Salomon S
2005-01-01
Quantum optics has been dealing with coherent states, squeezed states and many other non-classical states. The associated mathematical framework makes use of special functions as Hermite polynomials, Laguerre polynomials and others. In this connection we here present some formal results that follow directly from the group O(N) of complex transformations. Motivated by the squeezed states structure, we introduce the generalized Hermite polynomials (GHP), which include as particular cases, the Hermite polynomials as well as the heat polynomials. Using generalized raising operators, we derive new sum rules for the GHP, which are covariant under O(N) transformations. The GHP and the associated sum rules become useful for evaluating Wigner functions in a straightforward manner. As a byproduct, we use one of these sum rules, on the operator level, to obtain raising and lowering operators for the Laguerre polynomials and show that they generate an sl(2, R) ≅ su(1, 1) algebra
Desrosiers, P; Mathieu, P; Desrosiers, Patrick; Lapointe, Luc; Mathieu, Pierre
2003-01-01
We present two constructions of the orthogonal eigenfunctions of the supersymmetric extension of the rational Calogero-Moser-Sutherland model with harmonic confinement. These eigenfunctions are the superspace extension of the generalized Hermite (or Hi-Jack) polynomials. The conserved quantities of the rational supersymmetric model are first related to their trigonometric relatives through a similarity transformation. This leads to a simple expression for the generalized Hermite superpolynomials as a differential operator acting on the corresponding Jack superpolynomials. The second construction relies on the action of the Hamiltonian on the supermonomial basis. This translates into determinantal expressions for the Hamiltonian's eigenfunctions. As an aside, the maximal superintegrability of the supersymmetric rational Calogero-Moser-Sutherland model is demonstrated.
Evolution of king crabs from hermit crab ancestors
Cunningham, C. W.; Blackstone, N. W.; Buss, L. W.
1992-02-01
KING crabs (Family Lithodidae) are among the world's largest arthropods, having a crab-like morphology and a strongly calcified exoskeleton1-6. The hermit crabs, by contrast, have depended on gastropod shells for protection for over 150 million years5,7. Shell-living has constrained the morphological evolution of hermit crabs by requiring a decalcified asymmetrical abdomen capable of coiling into gastropod shells and by preventing crabs from growing past the size of the largest available shells1-6. Whereas reduction in shell-living and acquisition of a crab-like morphology (carcinization) has taken place independently in several hermit crab lineages, and most dramatically in king crabs1-6, the rate at which this process has occurred was entirely unknown2,7. We present molecular evidence that king crabs are not only descended from hermit crabs, but are nested within the hermit crab genus Pagurus. We estimate that loss of the shell-living habit and the complete carcinization of king crabs has taken between 13 and 25 million years.
Hermite Polynomials and the Inverse Problem for Collisionless Equilibria
Allanson, O.; Neukirch, T.; Troscheit, S.; Wilson, F.
2017-12-01
It is long established that Hermite polynomial expansions in either velocity or momentum space can elegantly encode the non-Maxwellian velocity-space structure of a collisionless plasma distribution function (DF). In particular, Hermite polynomials in the canonical momenta naturally arise in the consideration of the 'inverse problem in collisionless equilibria' (IPCE): "for a given macroscopic/fluid equilibrium, what are the self-consistent Vlasov-Maxwell equilibrium DFs?". This question is of particular interest for the equilibrium and stability properties of a given macroscopic configuration, e.g. a current sheet. It can be relatively straightforward to construct a formal solution to IPCE by a Hermite expansion method, but several important questions remain regarding the use of this method. We present recent work that considers the necessary conditions of non-negativity, convergence, and the existence of all moments of an equilibrium DF solution found for IPCE. We also establish meaningful analogies between the equations that link the microscopic and macrosopic descriptions of the Vlasov-Maxwell equilibrium, and those that solve the initial value problem for the heat equation. In the language of the heat equation, IPCE poses the pressure tensor as the 'present' heat distribution over an infinite domain, and the non-Maxwellian features of the DF as the 'past' distribution. We find sufficient conditions for the convergence of the Hermite series representation of the DF, and prove that the non-negativity of the DF can be dependent on the magnetisation of the plasma. For DFs that decay at least as quickly as exp(-v^2/4), we show non-negativity is guaranteed for at least a finite range of magnetisation values, as parameterised by the ratio of the Larmor radius to the gradient length scale. 1. O. Allanson, T. Neukirch, S. Troscheit & F. Wilson: From one-dimensional fields to Vlasov equilibria: theory and application of Hermite polynomials, Journal of Plasma Physics, 82
Fractional Delayer Utilizing Hermite Interpolation with Caratheodory Representation
Directory of Open Access Journals (Sweden)
Qiang DU
2018-04-01
Full Text Available Fractional delay is indispensable for many sorts of circuits and signal processing applications. Fractional delay filter (FDF utilizing Hermite interpolation with an analog differentiator is a straightforward way to delay discrete signals. This method has a low time-domain error, but a complicated sampling module than the Shannon sampling scheme. A simplified scheme, which is based on Shannon sampling and utilizing Hermite interpolation with a digital differentiator, will lead a much higher time-domain error when the signal frequency approaches the Nyquist rate. In this letter, we propose a novel fractional delayer utilizing Hermite interpolation with Caratheodory representation. The samples of differential signal are obtained by Caratheodory representation from the samples of the original signal only. So, only one sampler is needed and the sampling module is simple. Simulation results for four types of signals demonstrate that the proposed method has significantly higher interpolation accuracy than Hermite interpolation with digital differentiator.
A pair of biorthogonal polynomials for the Szegö-Hermite weight function
Directory of Open Access Journals (Sweden)
N. K. Thakare
1988-01-01
Full Text Available A pair of polynomial sequences {Snμ(x;k} and {Tmμ(x;k} where Snμ(x;k is of degree n in xk and Tmμ(x;k is of degree m in x, is constructed. It is shown that this pair is biorthogonal with respect to the Szegö-Hermite weight function |x|2μexp(−x2, (μ>−1/2 over the interval (−∞,∞ in the sense that∫−∞∞|x|2μexp(−x2Snμ(x;kTmμ(x;kdx=0, ifm≠n ≠0, ifm=nwhere m,n=0,1,2,… and k is an odd positive integer.
Discrete Hermite moments and their application in chemometrics
Czech Academy of Sciences Publication Activity Database
Honarvar Shakibaei Asli, Barmak; Flusser, Jan
2018-01-01
Roč. 177, č. 1 (2018), s. 83-88 ISSN 0169-7439 Institutional support: RVO:67985556 Keywords : Orthogonal polynomials * Discrete polynomials * Tchebichef moment * Hermite moment * Gauss–Hermite quadrature Subject RIV: IN - Informatics, Computer Science OBOR OECD: Electrical and electronic engineering Impact factor: 2.303, year: 2016 http://library.utia.cas.cz/separaty/2018/ZOI/honarvar-0489186.pdf
Hermiticity and CPT in string theory
International Nuclear Information System (INIS)
Sonoda, Hidenori
1989-01-01
In the application of conformal field theory to string theory S-matrix elements are obtained from correlation functions of vertex operators. By studying the relation between the vertex operators for the incoming states and those for the outgoing states we obtain two results: First we show that hermiticity of the string vertices is equivalent to the CPT invariance of the corresponding conformal field theory. Secondly we prove that the S-matrix elements in any string theory in flat space-time background are invariant under CPT. (orig.)
Differential operators associated with Hermite polynomials
International Nuclear Information System (INIS)
Onyango Otieno, V.P.
1989-09-01
This paper considers the boundary value problems for the Hermite differential equation -(e -x2 y'(x))'+e -x2 y(x)=λe -x2 y(x), (x is an element of (-∞, ∞)) in both the so-called right-definite and left-definite cases based partly on a classical approach due to E.C. Titchmarsh. We then link the Titchmarsh approach with operator theoretic results in the spaces L w 2 (-∞, ∞) and H p,q 2 (-∞, ∞). The results in the left-definite case provide an indirect proof of the completeness of the Hermite polynomials in L w 2 (-∞, ∞). (author). 17 refs
The Hermite transform-applications
Martens, J.B.
It is demonstrated how the Hermite transform can be used for image coding and analysis. Hierarchical coding structures based on increasingly specified basic patterns, i.e. general 2-D patterns, general 1-D patterns, and specific 1-D patterns such as edges and corners, are presented. In the image
Lattice Boltzmann method for bosons and fermions and the fourth-order Hermite polynomial expansion.
Coelho, Rodrigo C V; Ilha, Anderson; Doria, Mauro M; Pereira, R M; Aibe, Valter Yoshihiko
2014-04-01
The Boltzmann equation with the Bhatnagar-Gross-Krook collision operator is considered for the Bose-Einstein and Fermi-Dirac equilibrium distribution functions. We show that the expansion of the microscopic velocity in terms of Hermite polynomials must be carried to the fourth order to correctly describe the energy equation. The viscosity and thermal coefficients, previously obtained by Yang et al. [Shi and Yang, J. Comput. Phys. 227, 9389 (2008); Yang and Hung, Phys. Rev. E 79, 056708 (2009)] through the Uehling-Uhlenbeck approach, are also derived here. Thus the construction of a lattice Boltzmann method for the quantum fluid is possible provided that the Bose-Einstein and Fermi-Dirac equilibrium distribution functions are expanded to fourth order in the Hermite polynomials.
Discrete Hermite moments and their application in chemometrics
Czech Academy of Sciences Publication Activity Database
Honarvar Shakibaei Asli, Barmak; Flusser, Jan
2018-01-01
Roč. 177, č. 1 (2018), s. 83-88 ISSN 0169-7439 R&D Projects: GA ČR GA18-07247S; GA ČR GJ18-26018Y Institutional support: RVO:67985556 Keywords : Orthogonal polynomials * Discrete polynomials * Tchebichef moment * Hermite moment * Gauss–Hermite quadrature Subject RIV: JD - Computer Applications, Robotics OBOR OECD: Automation and control systems Impact factor: 2.303, year: 2016 http://library.utia.cas.cz/separaty/2018/ZOI/honarvar-0489147.pdf
Parker, Joseph T.
2015-02-03
Copyright © Cambridge University Press 2015. We study Landau damping in the 1+1D Vlasov-Poisson system using a Fourier-Hermite spectral representation. We describe the propagation of free energy in Fourier-Hermite phase space using forwards and backwards propagating Hermite modes recently developed for gyrokinetic theory. We derive a free energy equation that relates the change in the electric field to the net Hermite flux out of the zeroth Hermite mode. In linear Landau damping, decay in the electric field corresponds to forward propagating Hermite modes; in nonlinear damping, the initial decay is followed by a growth phase characterized by the generation of backwards propagating Hermite modes by the nonlinear term. The free energy content of the backwards propagating modes increases exponentially until balancing that of the forward propagating modes. Thereafter there is no systematic net Hermite flux, so the electric field cannot decay and the nonlinearity effectively suppresses Landau damping. These simulations are performed using the fully-spectral 5D gyrokinetics code SpectroGK, modified to solve the 1+1D Vlasov-Poisson system. This captures Landau damping via Hou-Li filtering in velocity space. Therefore the code is applicable even in regimes where phase mixing and filamentation are dominant.
Axisymmetric MHD equilibrium solver with bicubic Hermite elements
International Nuclear Information System (INIS)
Luetjens, H.; Bondeson, A.; Roy, A.
1990-05-01
A numerical code solving axisymmetric magnetohydrodynamic equilibria with rectangular bicubic Hermite elements has been developed. Two test cases are used for checking the convergence rate of the solution. The mapping of the equilibrium quantities into flux coordinates for magnetohydrodynamic stability calculation is performed by a method which preserves the convergence properties of the cubic Hermite elements. Convergence studies show the behaviour of the stability results when the equilibrium mesh is varied. (author) 13 refs., 3 tabs
Ongoing movement of the hermit warbler X Townsend's warbler hybrid zone.
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Meade Krosby
Full Text Available BACKGROUND: Movements of hybrid zones - areas of overlap and interbreeding between species - are difficult to document empirically. This is true because moving hybrid zones are expected to be rare, and because movement may proceed too slowly to be measured directly. Townsend's warblers (Dendroica townsendi hybridize with hermit warblers (D. occidentalis where their ranges overlap in Washington and Oregon. Previous morphological, behavioral, and genetic studies of this hybrid zone suggest that it has been steadily moving into the geographical range of hermit warblers, with the more aggressive Townsend's warblers replacing hermit warblers along ∼2000 km of the Pacific coast of Canada and Alaska. Ongoing movement of the zone, however, has yet to be empirically demonstrated. METHODOLOGY/PRINCIPAL FINDINGS: We compared recently sampled hybrid zone specimens to those collected 10-20 years earlier, to test directly the long-standing hypothesis of hybrid zone movement between these species. Newly sampled specimens were more Townsend's-like than historical specimens, consistent with ongoing movement of the zone into the geographical range of hermit warblers. CONCLUSIONS/SIGNIFICANCE: While movement of a hybrid zone may be explained by several possible mechanisms, in this case a wealth of existing evidence suggests that movement is being driven by the competitive displacement of hermit warblers by Townsend's warblers. That no ecological differences have been found between these species, and that replacement of hermit warblers by Townsend's warblers is proceeding downward in latitude and elevation - opposite the directions of range shifts predicted by recent climate change - further support that this movement is not being driven by alternative environmental factors. If the mechanism of competitive displacement is correct, whether this process will ultimately lead to the extinction of hermit warblers will depend on the continued maintenance of the
E. Camporeale (Enrico); G.L. Delzanno; B.K. Bergen; J.D. Moulton
2016-01-01
htmlabstractWe describe a spectral method for the numerical solution of the Vlasov–Poisson system where the velocity space is decomposed by means of an Hermite basis, and the configuration space is discretized via a Fourier decomposition. The novelty of our approach is an implicit time
Directory of Open Access Journals (Sweden)
A. Aminataei
2014-05-01
Full Text Available In this paper, a new and ecient approach is applied for numerical approximation of the linear dierential equations with variable coecients based on operational matrices with respect to Hermite polynomials. Explicit formulae which express the Hermite expansioncoecients for the moments of derivatives of any dierentiable function in terms of the original expansion coecients of the function itself are given in the matrix form. The mainimportance of this scheme is that using this approach reduces solving the linear dierentialequations to solve a system of linear algebraic equations, thus greatly simplifying the problem. In addition, two experiments are given to demonstrate the validity and applicability of the method
Steerable filtering using novel circular harmonic functions with application to edge detection
Papari, Giuseppe; Campisi, Patrizio; Petkov, Nicolai
2010-01-01
In this paper, we perform approximate steering of the elongated 2D Hermite-Gauss functions with respect to rotations and provide a compact analytical expressions for the related basis functions. A special notation introduced here considerably simplifies the derivation and unifies the cases of even
International Nuclear Information System (INIS)
Behringer, K.; Pineyro, J.; Mennig, J.
1990-06-01
The Wiener-Hermite functional (WHF) method has been applied to the point reactor kinetic equation excited by Gaussian random reactivity noise under stationary conditions. Delayed neutrons and any feedback effects are disregarded. The neutron steady-state value and the power spectral density (PSD) of the neutron flux have been calculated in a second order (WHF-2) approximation. Two cases are considered: in the first case, the noise source is low-pass white noise. In both cases the WHF-2 approximation of the neutron PSDs leads to relatively simple analytical expressions. The accuracy of the approach is determined by comparison with exact solutions of the problem. The investigations show that the WHF method is a powerful approximative tool for studying the nonlinear effects in the stochastic differential equation. (author) 5 figs., 29 refs
On integral and finite Fourier transforms of continuous q-Hermite polynomials
International Nuclear Information System (INIS)
Atakishiyeva, M. K.; Atakishiyev, N. M.
2009-01-01
We give an overview of the remarkably simple transformation properties of the continuous q-Hermite polynomials H n (x vertical bar q) of Rogers with respect to the classical Fourier integral transform. The behavior of the q-Hermite polynomials under the finite Fourier transform and an explicit form of the q-extended eigenfunctions of the finite Fourier transform, defined in terms of these polynomials, are also discussed.
Shell use and partitioning of two sympatric species of hermit crabs on a tropical mudflat
Teoh, Hong Wooi; Chong, Ving Ching
2014-02-01
Shell use and partitioning of two sympatric hermit crab species (Diogenes moosai and Diogenes lopochir), as determined by shell shape, size and availability, were examined from August 2009 to March 2011 in a tropical mudflat (Malaysia). Shells of 14 gastropod species were used but > 85% comprised shells of Cerithidea cingulata, Nassarius cf. olivaceus, Nassarius jacksonianus, and Thais malayensis. Shell partitioning between hermit crab species, sexes, and developmental stages was evident from occupied shells of different species, shapes, and sizes. Extreme bias in shell use pattern by male and female of both species of hermit crabs suggests that shell shape, which depends on shell species, is the major determinant of shell use. The hermit crab must however fit well into the shell so that compatibility between crab size and shell size becomes crucial. Although shell availability possibly influenced shell use and hermit crab distribution, this is not critical in a tropical setting of high gastropod diversity and abundance.
Invasive ants compete with and modify the trophic ecology of hermit crabs on tropical islands.
McNatty, Alice; Abbott, Kirsti L; Lester, Philip J
2009-05-01
Invasive species can dramatically alter trophic interactions. Predation is the predominant trophic interaction generally considered to be responsible for ecological change after invasion. In contrast, how frequently competition from invasive species contributes to the decline of native species remains controversial. Here, we demonstrate how the trophic ecology of the remote atoll nation of Tokelau is changing due to competition between invasive ants (Anoplolepis gracilipes) and native terrestrial hermit crabs (Coenobita spp.) for carrion. A significant negative correlation was observed between A. gracilipes and hermit crab abundance. On islands with A. gracilipes, crabs were generally restricted to the periphery of invaded islands. Very few hermit crabs were found in central areas of these islands where A. gracilipes abundances were highest. Ant exclusion experiments demonstrated that changes in the abundance and distribution of hermit crabs on Tokelau are a result of competition. The ants did not kill the hermit crabs. Rather, when highly abundant, A. gracilipes attacked crabs by spraying acid and drove crabs away from carrion resources. Analysis of naturally occurring N and C isotopes suggests that the ants are effectively lowering the trophic level of crabs. According to delta(15) N values, hermit crabs have a relatively high trophic level on islands where A. gracilipes have not invaded. In contrast, where these ants have invaded we observed a significant decrease in delta(15) N for all crab species. This result concurs with our experiment in suggesting long-term exclusion from carrion resources, driving co-occurring crabs towards a more herbivorous diet. Changes in hermit crab abundance or distribution may have major ramifications for the stability of plant communities. Because A. gracilipes have invaded many tropical islands where the predominant scavengers are hermit crabs, we consider that their competitive effects are likely to be more prominent in
Parker, Joseph T.; Dellar, Paul J.
2015-01-01
Copyright © Cambridge University Press 2015. We study Landau damping in the 1+1D Vlasov-Poisson system using a Fourier-Hermite spectral representation. We describe the propagation of free energy in Fourier-Hermite phase space using forwards
Efficient modeling of photonic crystals with local Hermite polynomials
International Nuclear Information System (INIS)
Boucher, C. R.; Li, Zehao; Albrecht, J. D.; Ram-Mohan, L. R.
2014-01-01
Developing compact algorithms for accurate electrodynamic calculations with minimal computational cost is an active area of research given the increasing complexity in the design of electromagnetic composite structures such as photonic crystals, metamaterials, optical interconnects, and on-chip routing. We show that electric and magnetic (EM) fields can be calculated using scalar Hermite interpolation polynomials as the numerical basis functions without having to invoke edge-based vector finite elements to suppress spurious solutions or to satisfy boundary conditions. This approach offers several fundamental advantages as evidenced through band structure solutions for periodic systems and through waveguide analysis. Compared with reciprocal space (plane wave expansion) methods for periodic systems, advantages are shown in computational costs, the ability to capture spatial complexity in the dielectric distributions, the demonstration of numerical convergence with scaling, and variational eigenfunctions free of numerical artifacts that arise from mixed-order real space basis sets or the inherent aberrations from transforming reciprocal space solutions of finite expansions. The photonic band structure of a simple crystal is used as a benchmark comparison and the ability to capture the effects of spatially complex dielectric distributions is treated using a complex pattern with highly irregular features that would stress spatial transform limits. This general method is applicable to a broad class of physical systems, e.g., to semiconducting lasers which require simultaneous modeling of transitions in quantum wells or dots together with EM cavity calculations, to modeling plasmonic structures in the presence of EM field emissions, and to on-chip propagation within monolithic integrated circuits
Hu, Kainan; Zhang, Hongwu; Geng, Shaojuan
2016-10-01
A decoupled scheme based on the Hermite expansion to construct lattice Boltzmann models for the compressible Navier-Stokes equations with arbitrary specific heat ratio is proposed. The local equilibrium distribution function including the rotational velocity of particle is decoupled into two parts, i.e., the local equilibrium distribution function of the translational velocity of particle and that of the rotational velocity of particle. From these two local equilibrium functions, two lattice Boltzmann models are derived via the Hermite expansion, namely one is in relation to the translational velocity and the other is connected with the rotational velocity. Accordingly, the distribution function is also decoupled. After this, the evolution equation is decoupled into the evolution equation of the translational velocity and that of the rotational velocity. The two evolution equations evolve separately. The lattice Boltzmann models used in the scheme proposed by this work are constructed via the Hermite expansion, so it is easy to construct new schemes of higher-order accuracy. To validate the proposed scheme, a one-dimensional shock tube simulation is performed. The numerical results agree with the analytical solutions very well.
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Senyue Zhang
2016-01-01
Full Text Available According to the characteristics that the kernel function of extreme learning machine (ELM and its performance have a strong correlation, a novel extreme learning machine based on a generalized triangle Hermitian kernel function was proposed in this paper. First, the generalized triangle Hermitian kernel function was constructed by using the product of triangular kernel and generalized Hermite Dirichlet kernel, and the proposed kernel function was proved as a valid kernel function of extreme learning machine. Then, the learning methodology of the extreme learning machine based on the proposed kernel function was presented. The biggest advantage of the proposed kernel is its kernel parameter values only chosen in the natural numbers, which thus can greatly shorten the computational time of parameter optimization and retain more of its sample data structure information. Experiments were performed on a number of binary classification, multiclassification, and regression datasets from the UCI benchmark repository. The experiment results demonstrated that the robustness and generalization performance of the proposed method are outperformed compared to other extreme learning machines with different kernels. Furthermore, the learning speed of proposed method is faster than support vector machine (SVM methods.
Directory of Open Access Journals (Sweden)
Shuang Wang
2012-01-01
Full Text Available As an efficient tool, radial basis function (RBF has been widely used for the multivariate approximation, interpolating continuous, and the solution of the particle differential equations. However, ill-conditioned interpolation matrix may be encountered when the interpolation points are very dense or irregularly arranged. To avert this problem, RBFs with variable shape parameters are introduced, and several new variation strategies are proposed. Comparison with the RBF with constant shape parameters are made, and the results show that the condition number of the interpolation matrix grows much slower with our strategies. As an application, an improved collocation meshless method is formulated by employing the new RBF. In addition, the Hermite-type interpolation is implemented to handle the Neumann boundary conditions and an additional sine/cosine basis is introduced for the Helmlholtz equation. Then, two interior acoustic problems are solved with the presented method; the results demonstrate the robustness and effectiveness of the method.
Temeles, Ethan J; Miller, Jill S; Rifkin, Joanna L
2010-04-12
Unambiguous examples of ecological causation of sexual dimorphism are rare, and the best evidence involves sexual differences in trophic morphology. We show that moderate female-biased sexual dimorphism in bill curvature is the ancestral condition in hermit hummingbirds (Phaethornithinae), and that it is greatly amplified in species such as Glaucis hirsutus and Phaethornis guy, where bills of females are 60 per cent more curved than bills of males. In contrast, bill curvature dimorphism is lost or reduced in a lineage of short-billed hermit species and in specialist Eutoxeres sicklebill hermits. In the hermits, males tend to be larger than females in the majority of species, although size dimorphism is typically small. Consistent with earlier studies of hummingbird feeding performance, both raw regressions of traits and phylogenetic independent contrasts supported the prediction that dimorphism in bill curvature of hermits is associated with longer bills. Some evidence indicates that differences between sexes of hermit hummingbirds are associated with differences in the use of food plants. We suggest that some hermit hummingbirds provide model organisms for studies of ecological causation of sexual dimorphism because their sexual dimorphism in bill curvature provides a diagnostic clue for the food plants that need to be monitored for studies of sexual differences in resource use.
International Nuclear Information System (INIS)
Behringer, K.
1991-02-01
In a recent paper by Behringer et al. (1990), the Wiener-Hermite Functional (WHF) method has been applied to point reactor kinetics excited by Gaussian random reactivity noise under stationary conditions, in order to calculate the neutron steady-state value and the neutron power spectral density (PSD) in a second-order (WHF-2) approximation. For simplicity, delayed neutrons and any feedback effects have been disregarded. The present study is a straightforward continuation of the previous one, treating the problem more generally by including any number of delayed neutron groups. For the case of white reactivity noise, the accuracy of the approach is determined by comparison with the exact solution available from the Fokker-Planck method. In the numerical comparisons, the first-oder (WHF-1) approximation of the PSD is also considered. (author) 4 figs., 10 refs
Hermiticity of quantum observables versus commutation relations
International Nuclear Information System (INIS)
Shirokov, M.I.
2002-01-01
In order to obtain sum rules and spectral representations the Hermiticity property = of observables is used. It is shown that for certain Ψ and Φ the property turn out to be inconsistent with the commutation relations that contain Α. The known Schwinger paradox is explained by this inconsistency
Five Martyr Brothers. First Polish hermits and their worship
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Kinga Blaschke
2016-12-01
Full Text Available Brothers Benedict and John, students of Romuald, came to Poland at the invitation of Otto III to convert pagans. Soon the Italian hermits were joined by Polish brothers Isaac and Matthew, who helped them in learning the Slavic language. The hermits, as well as Christinus, well killed in 1003 by thugs who wanted to steal money given by Duke Boleslav to an expedition to Rome, which was aimed at obtaining papal consent for conducting missionary work. Although the hermits died as victims of a robbery, killed by fellow Christians, the pope canonized them as martyrs. Their lives are relatively well-documented: the earliest and the most credible story of the five brothers by Bruno of Querfurt was written as early as five years after their death, although remained unknown until 1883. Another early account is the life of St. Romuald by Piotr Damiani of 1041. The martyrs have been also associated with yet another mysterious work – a gravestone unearthed in 1959 at the external wall of the north Roman apse of the Gniezno Cathedral, considered by most researchers the oldest epigraphic item on the Polish soil. However, the identification of the warriors mentioned in the inscription with 11th century martyrs raises many doubts. The article discusses the above matters, as well as the subject of the development of the worship of the martyr brothers.
Hermite-Pade approximation approach to hydromagnetic flows in convergent-divergent channels
International Nuclear Information System (INIS)
Makinde, O.D.
2005-10-01
The problem of two-dimensional, steady, nonlinear flow of an incompressible conducting viscous fluid in convergent-divergent channels under the influence of an externally applied homogeneous magnetic field is studied using a special type of Hermite-Pade approximation approach. This semi-numerical scheme offers some advantages over solutions obtained by using traditional methods such as finite differences, spectral method, shooting method, etc. It reveals the analytical structure of the solution function and the important properties of overall flow structure including velocity field, flow reversal control and bifurcations are discussed. (author)
Solution of Stochastic Nonlinear PDEs Using Automated Wiener-Hermite Expansion
Al-Juhani, Amnah
2014-01-06
The solution of the stochastic differential equations (SDEs) using Wiener-Hermite expansion (WHE) has the advantage of converting the problem to a system of deterministic equations that can be solved efficiently using the standard deterministic numerical methods [1]. The main statistics, such as the mean, covariance, and higher order statistical moments, can be calculated by simple formulae involving only the deterministic Wiener-Hermite coefficients. In WHE approach, there is no randomness directly involved in the computations. One does not have to rely on pseudo random number generators, and there is no need to solve the SDEs repeatedly for many realizations. Instead, the deterministic system is solved only once. For previous research efforts see [2, 4].
Computation of the Complex Probability Function
Energy Technology Data Exchange (ETDEWEB)
Trainer, Amelia Jo [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Ledwith, Patrick John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-08-22
The complex probability function is important in many areas of physics and many techniques have been developed in an attempt to compute it for some z quickly and e ciently. Most prominent are the methods that use Gauss-Hermite quadrature, which uses the roots of the n^{th} degree Hermite polynomial and corresponding weights to approximate the complex probability function. This document serves as an overview and discussion of the use, shortcomings, and potential improvements on the Gauss-Hermite quadrature for the complex probability function.
Linear flow of heat in an infinite region and hermite polynomials
International Nuclear Information System (INIS)
Al-Hawaj, A.Y.
1991-01-01
The problem of linear flow of heat in an infinite region occupies a prominent place in the field of conduction of heat in solids. A number of solutions to this problem, have been given from time to time by several mathematicians. The object of this paper is to derive the solutions of the problem of linear flow of heat in an infinite region, which lead to Hermite Polynomials. The author further presents three linear combinations of his solutions and their particular cases. The region (- ∞ < x < ∞) of the problem led him to investigate the solutions of the problem in terms of Hermite Polynomials
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Feng Jiang
2017-01-01
Full Text Available The complex frequency shifted (CFS perfectly matched layer (PML is proposed for the two-dimensional auxiliary differential equation (ADE finite-difference time-domain (FDTD method combined with Associated Hermite (AH orthogonal functions. According to the property of constitutive parameters of CFS-PML (CPML absorbing boundary conditions (ABCs, the auxiliary differential variables are introduced. And one relationship between field components and auxiliary differential variables is derived. Substituting auxiliary differential variables into CPML ABCs, the other relationship between field components and auxiliary differential variables is derived. Then the matrix equations are obtained, which can be unified with Berenger’s PML (BPML and free space. The electric field expansion coefficients can thus be obtained, respectively. In order to validate the efficiency of the proposed method, one example of wave propagation in two-dimensional free space is calculated using BPML, UPML, and CPML. Moreover, the absorbing effectiveness of the BPML, UPML, and CPML is discussed in a two-dimensional (2D case, and the numerical simulations verify the accuracy and efficiency of the proposed method.
Scale invariants from Gaussian-Hermite moments
Czech Academy of Sciences Publication Activity Database
Yang, B.; Kostková, Jitka; Flusser, Jan; Suk, Tomáš
2017-01-01
Roč. 132, č. 1 (2017), s. 77-84 ISSN 0165-1684 R&D Projects: GA ČR GA15-16928S Institutional support: RVO:67985556 Keywords : Scale invariants * Gaussian–Hermite moments * Variable modulation * Normalization * Zernike moments Subject RIV: JD - Computer Applications, Robotics OBOR OECD: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8) Impact factor: 3.110, year: 2016 http://library.utia.cas.cz/separaty/2016/ZOI/flusser-0466031.pdf
Hermit Thrush (Catharus guttatus)
Wood, Petra; Donovan, Therese M.
2012-01-01
With spotted breast and reddish tail, the Hermit Thrush lives up to its name. Although celebrated for its ethereal song, it is mostly a quiet and unobtrusive bird that spends much of its time in the lower branches of the undergrowth or on the forest floor, often seen flicking its wings while perched and quickly raising and slowly lowering its tail. A highly variable species in color and size, the Hermit Thrush's morphological characteristics and plumage have been well studied, with 12-13 subspecies now recognized (see Systematics).This thrush is one of the most widely distributed forest-nesting migratory birds in North America and the only forest thrush whose population has increased or remained stable over the past 20 years. Its extensive breeding range includes the northern hardwood forest, as well as most of the boreal and mountainous coniferous forest areas north of Mexico, with relatively recent expansions into New England and the southern Appalachians. In migration, the species moves to lower elevations and southward, spreading out to winter over much of the southern United States, through Mexico to Guatemala and east to Bermuda. It is the only species of Catharus that winters in North America, switching from a breeding diet of mainly arthropods to a wintering diet heavily supplemented with fruits.Much has been learned about this widely distributed species since the original Birds of North America account of 1996. New information pertaining to its song, migratory behavior, winter territoriality, survival, and diet has been added, as well as many new insights into the potential effects of forest management and other human disturbances. Still lacking are detailed nesting studies, studies of juvenile dispersal, of daily activities and time budgets, and of migratory routes.
Hermite-Gaussian beams with self-forming spiral phase distribution
Zinchik, Alexander A.; Muzychenko, Yana B.
2014-05-01
Spiral laser beams is a family of laser beams that preserve the structural stability up to scale and rotate with the propagation. Properties of spiral beams are of practical interest for laser technology, medicine and biotechnology. Researchers use a spiral beams for movement and manipulation of microparticles. Spiral beams have a complicated phase distribution in cross section. This paper describes the results of analytical and computer simulation of Hermite-Gaussian beams with self-forming spiral phase distribution. In the simulation used a laser beam consisting of the sum of the two modes HG TEMnm and TEMn1m1. The coefficients n1, n, m1, m were varied. Additional phase depending from the coefficients n, m, m1, n1 imposed on the resulting beam. As a result, formed the Hermite Gaussian beam phase distribution which takes the form of a spiral in the process of distribution. For modeling was used VirtualLab 5.0 (manufacturer LightTrans GmbH).
Directory of Open Access Journals (Sweden)
Pietro Kiyoshi Maruyama
2015-03-01
Full Text Available We studied the pollination biology of Canna paniculata (Cannaceae, a plant species common in the Atlantic Rainforest of southeastern Brazil. The species presents specialized ornithophilous flowers, which in our study area are solely pollinated by the hermit hummingbird Phaethornis eurynome. Although C. paniculata is capable of bearing fruit after self-pollination, it requires pollinators for reproduction. We discuss the importance of hermit hummingbirds for the reproduction of specialized ornithophilous plants such as C. paniculata, including their asymmetric dependence on hermit hummingbirds - core pollinators in Neotropical forest ecosystems.
3D rotation invariants of Gaussian-Hermite moments
Czech Academy of Sciences Publication Activity Database
Yang, Bo; Flusser, Jan; Suk, Tomáš
2015-01-01
Roč. 54, č. 1 (2015), s. 18-26 ISSN 0167-8655 R&D Projects: GA ČR GAP103/11/1552 Institutional support: RVO:67985556 Keywords : Rotation invariants * Orthogonal moments * Gaussian–Hermite moments * 3D moment invariants Subject RIV: IN - Informatics, Computer Science Impact factor: 1.586, year: 2015 http://library.utia.cas.cz/separaty/2014/ZOI/yang-0438325.pdf
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Chia-Hsuan Hsu
Full Text Available Numerous environmental factors can influence body size. Comparing populations in different ecological contexts is one potential approach to elucidating the most critical of such factors. In the current study, we found that the body size of the land hermit crab Coenobita rugosus was significantly larger on Dongsha Island in the South China Sea than on other eco-islands around Southern Taiwan. We hypothesized that this could be due to differences in (1 shell resources, (2 parasite impact, (3 competition, (4 predation, and (5 food. We found no supporting evidence for the first three hypotheses; the shells used by the hermit crabs on Dongsha were in poorer condition than were those used elsewhere, extremely few individuals in the region had ectoparasites, and the density of hermit crabs varied considerably among localities within each island. However, significantly higher percentages of C. rugosus reached age 3 years on Dongsha than at Siziwan bay in Taiwan. Two growth rate indices inferred from size structures suggested faster growth on Dongsha than at Siziwan. The condition index (i.e., the body mass/shield length ratio of C. rugosus was also greater on Dongsha than at Siziwan. Therefore, Dongsha hermit crabs seem to have superior diet and growth performance. Seagrass debris accumulation at the shore of Dongsha was considerable, whereas none was observed at Siziwan or on the other islands, where dicot leaves were the dominant food item for the vegetarian hermit crabs. We then experimentally evaluated the possible role of seagrass as food for C. rugosus. The crabs on Dongsha preferred seagrass to dicot leaves, and their growth increment was faster when they fed on seagrass than when they fed on dicot leaves; no such differences were found in the Siziwan hermit crabs. The aforementioned results are compatible with the food hypothesis explaining the size differences among the islands. The predator hypothesis could explain the greater life span but
Hermite y la trascendencia de e
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José Manuel Sánchez Muñoz
2011-04-01
Full Text Available Este artículo es en parte una traducción de los trabajos que llevó a cabo el francés Charles Hermite para determinar la trascendencia del número e, considerado éste como base de los logaritmos neperianos. Se han realizado algunas simplificaciones en dicha demostración para hacerlamás asequible al lector. Se presenta además una introducción del número e a través de quien inventó su notación, Leonhard Euler.
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Hosein Ghaffarzadeh
Full Text Available Abstract This paper investigates the numerical modeling of the flexural wave propagation in Euler-Bernoulli beams using the Hermite-type radial point interpolation method (HRPIM under the damage quantification approach. HRPIM employs radial basis functions (RBFs and their derivatives for shape function construction as a meshfree technique. The performance of Multiquadric(MQ RBF to the assessment of the reflection ratio was evaluated. HRPIM signals were compared with the theoretical and finite element responses. Results represent that MQ is a suitable RBF for HRPIM and wave propagation. However, the range of the proper shape parameters is notable. The number of field nodes is the main parameter for accurate wave propagation modeling using HRPIM. The size of support domain should be less thanan upper bound in order to prevent high error. With regard to the number of quadrature points, providing the minimum numbers of points are adequate for the stable solution, but the existence of more points in damage region does not leads to necessarily the accurate responses. It is concluded that the pure HRPIM, without any polynomial terms, is acceptable but considering a few terms will improve the accuracy; even though more terms make the problem unstable and inaccurate.
Temperature and salinity tolerance of adult hermit crabs, Diogenes ...
African Journals Online (AJOL)
1987-11-04
Nov 4, 1987 ... estuary may not limit the distribution of hermit crabs. Because of their broad tolerance they should be able to survive near the head of the estuary. However, this continuous exposure to low salinity may be intolerable during moult and limit normal growth and metamorphosis, so although there may not be a.
Boundedness of the Segal-Bargmann Transform on Fractional Hermite-Sobolev Spaces
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Hong Rae Cho
2017-01-01
Full Text Available Let s∈R and 2≤p≤∞. We prove that the Segal-Bargmann transform B is a bounded operator from fractional Hermite-Sobolev spaces WHs,pRn to fractional Fock-Sobolev spaces FRs,p.
Rotation invariants from Gaussian-Hermite moments of color images
Czech Academy of Sciences Publication Activity Database
Yang, B.; Suk, Tomáš; Flusser, Jan; Shi, Z.; Chen, X.
2018-01-01
Roč. 143, č. 1 (2018), s. 282-291 ISSN 0165-1684 R&D Projects: GA ČR GA15-16928S Institutional support: RVO:67985556 Keywords : Color images * Object recognition * Rotation invariants * Gaussian–Hermite moments * Joint invariants Subject RIV: JD - Computer Applications, Robotics Impact factor: 3.110, year: 2016 http://library.utia.cas.cz/separaty/2017/ZOI/suk-0479748.pdf
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Naoto Imajo
2015-01-01
Full Text Available Terrestrial hermit crabs which are a type of hermit crabs live on land, whereas typical hermit crabs inhabit the sea. They have an ability of climbing a tree vertically. Their claws allow them to hang on the tree. In this study, an outer-pipe inspection robot was developed. Its locomotion mechanism was developed in imitation of the terrestrial hermit crab’s claws. It is equipped with two rimless wheels. Each of the spokes is tipped with a neodymium magnet, which allows the robot to remain attached to even a vertical steel pipe. Moreover, the robot has a mechanism for adjusting the camber angle of the right and left wheels, allowing it to tightly grip pipes with different diameters. Experiments were conducted to check the performance of the robot using steel pipes with different diameters, placed horizontally, vertically, or obliquely. The robot attempted to move a certain distance along a pipe, and its success rate was measured. It was found that the robot could successfully travel along pipes with vertical orientations, although it sometimes fell from oblique or horizontal pipes. The most likely reason for this is identified and discussed. Certain results were obtained in laboratory. Further experiments in actual environment are required.
Adaptive multiresolution Hermite-Binomial filters for image edge and texture analysis
Gu, Y.H.; Katsaggelos, A.K.
1994-01-01
A new multiresolution image analysis approach using adaptive Hermite-Binomial filters is presented in this paper. According to the local image structural and textural properties, the analysis filter kernels are made adaptive both in their scales and orders. Applications of such an adaptive filtering
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Humin Lei
2017-01-01
Full Text Available An adaptive mesh iteration method based on Hermite-Pseudospectral is described for trajectory optimization. The method uses the Legendre-Gauss-Lobatto points as interpolation points; then the state equations are approximated by Hermite interpolating polynomials. The method allows for changes in both number of mesh points and the number of mesh intervals and produces significantly smaller mesh sizes with a higher accuracy tolerance solution. The derived relative error estimate is then used to trade the number of mesh points with the number of mesh intervals. The adaptive mesh iteration method is applied successfully to the examples of trajectory optimization of Maneuverable Reentry Research Vehicle, and the simulation experiment results show that the adaptive mesh iteration method has many advantages.
Sixth- and eighth-order Hermite integrator for N-body simulations
Nitadori, Keigo; Makino, Junichiro
2008-10-01
We present sixth- and eighth-order Hermite integrators for astrophysical N-body simulations, which use the derivatives of accelerations up to second-order ( snap) and third-order ( crackle). These schemes do not require previous values for the corrector, and require only one previous value to construct the predictor. Thus, they are fairly easy to implement. The additional cost of the calculation of the higher-order derivatives is not very high. Even for the eighth-order scheme, the number of floating-point operations for force calculation is only about two times larger than that for traditional fourth-order Hermite scheme. The sixth-order scheme is better than the traditional fourth-order scheme for most cases. When the required accuracy is very high, the eighth-order one is the best. These high-order schemes have several practical advantages. For example, they allow a larger number of particles to be integrated in parallel than the fourth-order scheme does, resulting in higher execution efficiency in both general-purpose parallel computers and GRAPE systems.
Design of high-order rotation invariants from Gaussian-Hermite moments
Czech Academy of Sciences Publication Activity Database
Yang, Bo; Flusser, Jan; Suk, Tomáš
2015-01-01
Roč. 113, č. 1 (2015), s. 61-67 ISSN 0165-1684 R&D Projects: GA ČR GA15-16928S Institutional support: RVO:67985556 Keywords : Rotationinvariants * Geometric moments * Gaussian–Hermite moments * Recurrentrelation Subject RIV: JD - Computer Applications, Robotics Impact factor: 2.063, year: 2015 http://library.utia.cas.cz/separaty/2015/ZOI/flusser-0441266.pdf
Near infrared face recognition using Zernike moments and Hermite kernels
Czech Academy of Sciences Publication Activity Database
Farokhi, Sajad; Sheikh, U.U.; Flusser, Jan; Yang, Bo
2015-01-01
Roč. 316, č. 1 (2015), s. 234-245 ISSN 0020-0255 R&D Projects: GA ČR(CZ) GA13-29225S Keywords : face recognition * Zernike moments * Hermite kernel * Decision fusion * Near infrared Subject RIV: JD - Computer Applications, Robotics Impact factor: 3.364, year: 2015 http://library.utia.cas.cz/separaty/2015/ZOI/flusser-0444205.pdf
International Nuclear Information System (INIS)
Fan Hong-Yi; Wang Zhen
2014-01-01
For directly normalizing the photon non-Gaussian states (e.g., photon added and subtracted squeezed states), we use the method of integration within an ordered product (IWOP) of operators to derive some new bosonic operator-ordering identities. We also derive some new integration transformation formulas about one- and two-variable Hermite polynomials in complex function space. These operator identities and associative integration formulas provide much convenience for constructing non-Gaussian states in quantum engineering. (general)
Directory of Open Access Journals (Sweden)
Israel Fernandes Frameschi
Full Text Available The evaluation of population characteristics, particularly those of endemic species, aids in population preservation and management. Hermit crabs present an innate behavior of occupying shells, which tends to individual needs and limits their distribution. This study characterized the pattern of occupation of gastropod shells by the hermit Loxopagurus loxochelis in three bays of the southwestern coast of Brazil. Monthly collections were made from January/1998 to December/1999 in the bays Ubatumirim (UBM, Ubatuba (UBA and Mar Virado (MV with a shrimping boat. Overall, ten species of gastropod shells were occupied by L. loxochelis. The shell of Olivancillaria urceus represented 66.8% of those occupied. Morphometric relationships demonstrated a differential occupation of the more abundant shells among demographic groups, where most of the males occupied O. urceus, non-ovigerous females occupied O. urceus and Buccinanops cochlidium, and ovigerous females occupied B. cochlidium and Stramonita haemastoma. Most of the individuals occupied the more abundant shells, considered adequate for the morphology of this hermit crab species. Thus, the studied bays seem to be stable and propitious environments for population perpetuation and the settlement of new individuals.
Squeezing of higher order Hermite-Gauss modes
DEFF Research Database (Denmark)
Lassen, Mikael Østergaard
2008-01-01
The present paper gives an overview of the experimental generation of squeezing in higher order Hermite-Gaussian modes with an optical parametric ampli¯er (OPA). This work was awarded with The European Optical Society (EOS) price 2007. The purpose of the prize is to encourage a European dimension...... in research in pure and applied optics. The EOS prize is awarded based on the selection criteria of high professionalism, academic and technical quality. Following the EOS Prize rules, the conditions for eligibility are that the work was performed in Europe and that it is published under the auspices...
Siminos, Evangelos; Bénisti, Didier; Gremillet, Laurent
2011-05-01
We study the stability of spatially periodic, nonlinear Vlasov-Poisson equilibria as an eigenproblem in a Fourier-Hermite basis (in the space and velocity variables, respectively) of finite dimension, N. When the advection term in the Vlasov equation is dominant, the convergence with N of the eigenvalues is rather slow, limiting the applicability of the method. We use the method of spectral deformation introduced by Crawford and Hislop [Ann. Phys. (NY) 189, 265 (1989)] to selectively damp the continuum of neutral modes associated with the advection term, thus accelerating convergence. We validate and benchmark the performance of our method by reproducing the kinetic dispersion relation results for linear (spatially homogeneous) equilibria. Finally, we study the stability of a periodic Bernstein-Greene-Kruskal mode with multiple phase-space vortices, compare our results with numerical simulations of the Vlasov-Poisson system, and show that the initial unstable equilibrium may evolve to different asymptotic states depending on the way it was perturbed. © 2011 American Physical Society
The problem of electric sources in Einstein's Hermite-symmetric field theory
International Nuclear Information System (INIS)
Kreisel, E.
1986-01-01
The possibility is investigated to introduce a geometric source without A-invariance and Hermite-symmetry breaking of Einstein's Hermitian relativity. It would be very meaningful to interpret a source of this kind as electric current. With this extension Einstein's unitary field theory contains Einstein's gravitation, electromagnetism and the gluonic vacuum of chromodynamics. (author)
Wilde, de P.A.W.J.
1973-01-01
1. This paper deals with various aspects of the life-history, ecology, water management and osmoregulation of the West-Indian land hermit crab Coenobita clypeatus (Herbst) in Curaçao, Netherlands Antilles. 2. Land hermit crabs belonging to the family Coenobitidae may be considered as one of the most
Applying inversion to construct planar, rational spirals that satisfy two-point G(2) Hermite data
Kurnosenko, A
2010-01-01
A method of two-point G(2) Hermite interpolation with spirals is proposed. To construct a sought for curve, the inversion is applied to an arc of some other spiral. To illustrate the method, inversions of parabola are considered in detail. The resulting curve is 4th degree rational. The method allows the matching of a wide range of boundary conditions, including those which require an inflection. Although not all G(2) Hermite data can be matched with a spiral generated from a parabolic arc, introducing one intermediate G(2) data solves the problem. Expanding the method by involving other spirals arcs is also discussed. (C) 2009 Elsevier B.V. All rights reserved.
Zeros of Wronskians of Hermite polynomials and Young diagrams
Felder, G.; Hemery, A. D.; Veselov, A. P.
2012-12-01
For a certain class of partitions, a simple qualitative relation is observed between the shape of the Young diagram and the pattern of zeros of the Wronskian of the corresponding Hermite polynomials. In the case of the two-term Wronskian W(Hn,Hn+k), we give an explicit formula for the asymptotic shape of the zero set as n→∞. Some empirical asymptotic formulas are given for the zero sets of three-term and four-term Wronskians.
Briffa, Mark; Twyman, Claire
2011-06-23
Animals titrate their behaviour against the level of risk and an individual's conspicuousness should influence decisions such as when to flee and for how long to hide. Conspicuousness will vary with variation in substrate colour. Since hermit crabs frequently change the shells they occupy, shell colour will also influence conspicuousness and to be aware of their conspicuousness would require information on both of these factors to be integrated. Reduced boldness in high-contrast shell and substrate combinations compared with situations of low contrast indicates that hermit crabs are aware of current conspicuousness. Differences between individuals remained consistent across conspicuousness levels indicating the presence of animal personalities.
Directory of Open Access Journals (Sweden)
Wafaa S. Sallam
2012-03-01
Full Text Available The aim of the present study is to characterize the fecundity of the land hermit crab Coenobita scaevola as well as the influence of shell type on fecundity using morphometric relationships. Hermit crabs were collected monthly from January to December 2007 from the protected area of Wadi El-Gemal, at Marsa Alam on the Red Sea, and ovigerous females were selected. Hermit crab wet weight and the gastropod shell weight were recorded. The number of eggs carried by females of several sizes (CL, carapace length, stages of development and egg size were determined. Shells of eight gastropod species were occupied by ovigerous females of C. scaevola. Shells of Nerita undata was the most occupied (65.7%, particularly by individuals falling within the size range 5.0–7.0 mm CL. Only 35 berried females were recorded during May, July and September and the mean fecundity was 679.8 ± 140 eggs. Fecundity was found positively correlated with crab size and shell dimensions. The relationship between fecundity and the internal volume of the occupied shell was ranked as the most correlated. The impact of shell utilization on hermit crab fecundity is discussed.
Approximation by some combinations of Poisson integrals for Hermite and Laguerre expansions
Directory of Open Access Journals (Sweden)
Grażyna Krech
2013-02-01
Full Text Available The aim of this paper is the study of a rate of convergence of some combinations of Poisson integrals for Hermite and Laguerre expansions. We are able to achieve faster convergence for our modified operators over the Poisson integrals. We prove also the Voronovskaya type theorem for these new operators.
Sant'Anna, B S; Santos, D M; Marchi, M R R; Zara, F J; Turra, A
2014-05-01
Butyltin (BT) contamination was evaluated in hermit crabs from 25 estuaries and in sediments from 13 of these estuaries along about 2,000 km of the Brazilian coast. BT contamination in hermit crabs ranged from 2.22 to 1,746 ng Sn g(-1) of DBT and 1.32 to 318 ng Sn g(-1) of TBT. In sediment samples, the concentration also varied widely, from 25 to 1,304 ng Sn g(-1) of MBT, from 7 to 158 ng Sn g(-1) of DBT, and from 8 to 565 ng Sn g(-1) of TBT. BTs are still being found in surface sediments and biota of the estuaries after the international and Brazilian bans, showing heterogeneous distribution among and within estuaries. Although hermit crabs were previously tested as an indicator of recent BT contamination, the results indicate the presence of contamination, probably from resuspension of BTs from deeper water of the estuary.
On certain properties of some generalized special functions
International Nuclear Information System (INIS)
Pathan, M.A.; Khan, Subuhi
2002-06-01
In this paper, we derive a result concerning eigenvector for the product of two operators defined on a Lie algebra of endomorphisms of a vector space. The results given by Radulescu, Mandal and authors follow as special cases of this result. Further using these results, we deduce certain properties of generalized Hermite polynomials and Hermite Tricomi functions. (author)
Sarna, Neeraj; Torrilhon, Manuel
2018-01-01
We define certain criteria, using the characteristic decomposition of the boundary conditions and energy estimates, which a set of stable boundary conditions for a linear initial boundary value problem, involving a symmetric hyperbolic system, must satisfy. We first use these stability criteria to show the instability of the Maxwell boundary conditions proposed by Grad (Commun Pure Appl Math 2(4):331-407, 1949). We then recognise a special block structure of the moment equations which arises due to the recursion relations and the orthogonality of the Hermite polynomials; the block structure will help us in formulating stable boundary conditions for an arbitrary order Hermite discretization of the Boltzmann equation. The formulation of stable boundary conditions relies upon an Onsager matrix which will be constructed such that the newly proposed boundary conditions stay close to the Maxwell boundary conditions at least in the lower order moments.
The Matlab Radial Basis Function Toolbox
Directory of Open Access Journals (Sweden)
Scott A. Sarra
2017-03-01
Full Text Available Radial Basis Function (RBF methods are important tools for scattered data interpolation and for the solution of Partial Differential Equations in complexly shaped domains. The most straight forward approach used to evaluate the methods involves solving a linear system which is typically poorly conditioned. The Matlab Radial Basis Function toolbox features a regularization method for the ill-conditioned system, extended precision floating point arithmetic, and symmetry exploitation for the purpose of reducing flop counts of the associated numerical linear algebra algorithms.
Dynamics of one-dimensional self-gravitating systems using Hermite-Legendre polynomials
Barnes, Eric I.; Ragan, Robert J.
2014-01-01
The current paradigm for understanding galaxy formation in the Universe depends on the existence of self-gravitating collisionless dark matter. Modelling such dark matter systems has been a major focus of astrophysicists, with much of that effort directed at computational techniques. Not surprisingly, a comprehensive understanding of the evolution of these self-gravitating systems still eludes us, since it involves the collective non-linear dynamics of many particle systems interacting via long-range forces described by the Vlasov equation. As a step towards developing a clearer picture of collisionless self-gravitating relaxation, we analyse the linearized dynamics of isolated one-dimensional systems near thermal equilibrium by expanding their phase-space distribution functions f(x, v) in terms of Hermite functions in the velocity variable, and Legendre functions involving the position variable. This approach produces a picture of phase-space evolution in terms of expansion coefficients, rather than spatial and velocity variables. We obtain equations of motion for the expansion coefficients for both test-particle distributions and self-gravitating linear perturbations of thermal equilibrium. N-body simulations of perturbed equilibria are performed and found to be in excellent agreement with the expansion coefficient approach over a time duration that depends on the size of the expansion series used.
Doubly stochastic radial basis function methods
Yang, Fenglian; Yan, Liang; Ling, Leevan
2018-06-01
We propose a doubly stochastic radial basis function (DSRBF) method for function recoveries. Instead of a constant, we treat the RBF shape parameters as stochastic variables whose distribution were determined by a stochastic leave-one-out cross validation (LOOCV) estimation. A careful operation count is provided in order to determine the ranges of all the parameters in our methods. The overhead cost for setting up the proposed DSRBF method is O (n2) for function recovery problems with n basis. Numerical experiments confirm that the proposed method not only outperforms constant shape parameter formulation (in terms of accuracy with comparable computational cost) but also the optimal LOOCV formulation (in terms of both accuracy and computational cost).
Directory of Open Access Journals (Sweden)
I. F. Frameschi
Full Text Available Abstract The pattern of shell occupation by the hermit crab Dardanus insignis (Saussure, 1858 from the subtropical region of southeastern coast of Brazil was investigated in the present study. The percentage of shell types that were occupied and the morphometric relationships between hermit crabs and occupied shells were analyzed from monthly collections conducted during two years (from January 1998 to December 1999. Individuals were categorized according to sex and gonadal maturation, weighed and measured with respect to their cephalothoracic shield length (CSL and wet weight (CWW. Shells were measured regarding their aperture width (SAW, dry weight (SDW and internal volume (SIV. A total of 1086 hermit crabs was collected, occupying shells of 11 gastropod species. Olivancillaria urceus (Roding, 1798 was most commonly used by the hermit crab D. insignis, followed by Buccinanops cochlidium (Dillwyn, 1817, and Stramonita haemastoma (Linnaeus, 1767. The highest determination coefficients (r2 > 0.50, p < 0.01 were recorded particularly in the morphometric relationships between CSL vs. CWW and SAW vs. SIV, which are important indication that in this D. insignis population the great majority the animals occupied adequate shells during the two years analysed. The high number of used shell species and relative plasticity in pattern of shell utilization by smaller individuals of D. insignis indicated that occupation is influenced by the shell availability, while larger individuals demonstrated more specialized occupation in Tonna galea (Linnaeus, 1758 shell.
Optimal Piecewise Linear Basis Functions in Two Dimensions
Energy Technology Data Exchange (ETDEWEB)
Brooks III, E D; Szoke, A
2009-01-26
We use a variational approach to optimize the center point coefficients associated with the piecewise linear basis functions introduced by Stone and Adams [1], for polygonal zones in two Cartesian dimensions. Our strategy provides optimal center point coefficients, as a function of the location of the center point, by minimizing the error induced when the basis function interpolation is used for the solution of the time independent diffusion equation within the polygonal zone. By using optimal center point coefficients, one expects to minimize the errors that occur when these basis functions are used to discretize diffusion equations, or transport equations in optically thick zones (where they approach the solution of the diffusion equation). Our optimal center point coefficients satisfy the requirements placed upon the basis functions for any location of the center point. We also find that the location of the center point can be optimized, but this requires numerical calculations. Curiously, the optimum center point location is independent of the values of the dependent variable on the corners only for quadrilaterals.
Mixtures of truncated basis functions
DEFF Research Database (Denmark)
Langseth, Helge; Nielsen, Thomas Dyhre; Rumí, Rafael
2012-01-01
In this paper we propose a framework, called mixtures of truncated basis functions (MoTBFs), for representing general hybrid Bayesian networks. The proposed framework generalizes both the mixture of truncated exponentials (MTEs) framework and the mixture of polynomials (MoPs) framework. Similar t...
Brown, James; Carrington, Tucker
2016-06-28
In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier's symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than the basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.
International Nuclear Information System (INIS)
Brown, James; Carrington, Tucker
2016-01-01
In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier’s symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than the basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.
Speech/Nonspeech Detection Using Minimal Walsh Basis Functions
Directory of Open Access Journals (Sweden)
Pwint Moe
2007-01-01
Full Text Available This paper presents a new method to detect speech/nonspeech components of a given noisy signal. Employing the combination of binary Walsh basis functions and an analysis-synthesis scheme, the original noisy speech signal is modified first. From the modified signals, the speech components are distinguished from the nonspeech components by using a simple decision scheme. Minimal number of Walsh basis functions to be applied is determined using singular value decomposition (SVD. The main advantages of the proposed method are low computational complexity, less parameters to be adjusted, and simple implementation. It is observed that the use of Walsh basis functions makes the proposed algorithm efficiently applicable in real-world situations where processing time is crucial. Simulation results indicate that the proposed algorithm achieves high-speech and nonspeech detection rates while maintaining a low error rate for different noisy conditions.
Directory of Open Access Journals (Sweden)
Lindsay D. Waldrop
2014-08-01
Full Text Available Although many lineages of terrestrial crustaceans have poor olfactory capabilities, crabs in the family Coenobitidae, including the terrestrial hermit crabs in the genus Coenobita, are able to locate food and water using olfactory antennae (antennules to capture odors from the surrounding air. Terrestrial hermit crabs begin their lives as small marine larvae and must find a suitable place to undergo metamorphosis into a juvenile form, which initiates their transition to land. Juveniles increase in size by more than an order of magnitude to reach adult size. Since odor capture is a process heavily dependent on the size and speed of the antennules and physical properties of the fluid, both the transition from water to air and the large increase in size during ontogeny could impact odor capture. In this study, we examine two species of terrestrial hermit crabs, Coenobita perlatus H. Milne-Edwards and Coenobita rugosus H. Milne-Edwards, to determine how the antennule morphometrics and kinematics of flicking change in comparison to body size during ontogeny, and how this scaling relationship could impact odor capture by using a simple model of mass transport in flow. Many features of the antennules, including the chemosensory sensilla, scaled allometrically with carapace width and increased slower than expected by isometry, resulting in relatively larger antennules on juvenile animals. Flicking speed scaled as expected with isometry. Our mass-transport model showed that allometric scaling of antennule morphometrics and kinematics leads to thinner boundary layers of attached fluid around the antennule during flicking and higher odorant capture rates as compared to antennules which scaled isometrically. There were no significant differences in morphometric or kinematic measurements between the two species.
Sant'Anna, Bruno S. [UNESP; Zangrande, Cilene M. [UNESP; Reigada, Álvaro L.D. [UNESP; Severino-Rodrigues, Evandro
2006-01-01
The objective of the present study was to characterize the spatial distribution and shell utilization of three hermit crab species in the estuarine-bay complex of São Vicente, São Paulo State, Brazil. Monthly samples were done throughout two years, in the non-consolidated sub-littoral at the estuarine-bay complex. The environmental factors, such as temperature, salinity and depth, were measured every month. The three hermit crab species, Clibanarius vittatus, Loxopagurus loxochelis and Isoche...
Directory of Open Access Journals (Sweden)
Oksana Tuchina
Full Text Available Crustaceans have successfully adapted to a variety of environments including fresh- and saltwater as well as land. Transition from an aquatic to a terrestrial lifestyle required adaptations of the sensory equipment of an animal, particularly in olfaction, where the stimulus itself changes from hydrophilic to mainly hydrophobic, air-borne molecules. Hermit crabs Coenobita spp. (Anomura, Coenobitidae have adapted to a fully terrestrial lifestyle as adults and have been shown to rely on olfaction in order to detect distant food items. We observed that the specialized olfactory sensilla in Coenobita, named aesthetascs, are immersed in a layer of mucous-like substance. We hypothesized that the mucous is produced by antennal glands and affects functioning of the aesthetascs. Using various microscopic and histochemical techniques we proved that the mucous is produced by aesthetasc-associated epidermal glands, which we consider to be modified rosette-type aesthetasc tegumental glands known from aquatic decapods. These epidermal glands in Coenobita are multicellular exocrine organs of the recto-canal type with tubulo-acinar arrangement of the secretory cells. Two distinct populations of secretory cells were clearly distinguishable with light and electron microscopy. At least part of the secretory cells contains specific enzymes, CUB-serine proteases, which are likely to be secreted on the surface of the aesthetasc pad and take part in antimicrobial defense. Proteomic analysis of the glandular tissue corroborates the idea that the secretions of the aesthetasc-associated epidermal glands are involved in immune responses. We propose that the mucous covering the aesthetascs in Coenobita takes part in antimicrobial defense and at the same time provides the moisture essential for odor perception in terrestrial hermit crabs. We conclude that the morphological modifications of the aesthetasc-associated epidermal glands as well as the functional characteristics
Large-Eddy Simulation Using Projection onto Local Basis Functions
Pope, S. B.
In the traditional approach to LES for inhomogeneous flows, the resolved fields are obtained by a filtering operation (with filter width Delta). The equations governing the resolved fields are then partial differential equations, which are solved numerically (on a grid of spacing h). For an LES computation of a given magnitude (i.e., given h), there are conflicting considerations in the choice of Delta: to resolve a large range of turbulent motions, Delta should be small; to solve the equations with numerical accuracy, Delta should be large. In the alternative approach advanced here, this conflict is avoided. The resolved fields are defined by projection onto local basis functions, so that the governing equations are ordinary differential equations for the evolution of the basis-function coefficients. There is no issue of numerical spatial discretization errors. A general methodology for modelling the effects of the residual motions is developed. The model is based directly on the basis-function coefficients, and its effect is to smooth the fields where their rates of change are not well resolved by the basis functions. Demonstration calculations are performed for Burgers' equation.
International Nuclear Information System (INIS)
Ghendrih, P.
1986-10-01
We expand the distribution functions on a basis of Hermite functions and obtain a general scheme to compute the local transport coefficients. The magnetic field dependence due to finite Larmor radius effects during the collision process is taken into account
Diffusion Forecasting Model with Basis Functions from QR-Decomposition
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.
Using piecewise sinusoidal basis functions to blanket multiple wire segments
CSIR Research Space (South Africa)
Lysko, AA
2009-06-01
Full Text Available This paper discusses application of the piecewise sinusoidal (PWS) basis function (BF) over a chain of several wire segments, for example as a multiple domain basis function. The usage of PWS BF is compared to results based on the piecewise linear...
Niche construction drives social dependence in hermit crabs.
Laidre, Mark E
2012-10-23
Organisms can receive not only a genetic inheritance from their ancestors but also an ecological inheritance, involving modifications their ancestors made to the environment through niche construction. Ecological inheritances may persist as a legacy, potentially generating selection pressures that favor sociality. Yet, most proposed cases of sociality being impacted by an ecological inheritance come from organisms that live among close kin and were highly social before their niche construction began. Here, I show that in terrestrial hermit crabs (Coenobita compressus)--organisms that do not live with kin and reside alone, each in its own shell--niche-construction drives social dependence, such that individuals can only survive in remodeled shells handed down from conspecifics. These results suggest that niche construction can be an important initiator of evolutionary pressures to socialize, even among unrelated and otherwise asocial organisms. Copyright © 2012 Elsevier Ltd. All rights reserved.
Complex and real Hermite polynomials and related quantizations
International Nuclear Information System (INIS)
Cotfas, Nicolae; Gazeau, Jean Pierre; Gorska, Katarzyna
2010-01-01
It is known that the anti-Wick (or standard coherent state) quantization of the complex plane produces both canonical commutation rule and quantum spectrum of the harmonic oscillator (up to the addition of a constant). In this work, we show that these two issues are not necessarily coupled: there exists a family of separable Hilbert spaces, including the usual Fock-Bargmann space, and in each element in this family there exists an overcomplete set of unit-norm states resolving the unity. With the exception of the Fock-Bargmann case, they all produce non-canonical commutation relation whereas the quantum spectrum of the harmonic oscillator remains the same up to the addition of a constant. The statistical aspects of these non-equivalent coherent state quantizations are investigated. We also explore the localization aspects in the real line yielded by similar quantizations based on real Hermite polynomials.
Fast radial basis functions for engineering applications
Biancolini, Marco Evangelos
2017-01-01
This book presents the first “How To” guide to the use of radial basis functions (RBF). It provides a clear vision of their potential, an overview of ready-for-use computational tools and precise guidelines to implement new engineering applications of RBF. Radial basis functions (RBF) are a mathematical tool mature enough for useful engineering applications. Their mathematical foundation is well established and the tool has proven to be effective in many fields, as the mathematical framework can be adapted in several ways. A candidate application can be faced considering the features of RBF: multidimensional space (including 2D and 3D), numerous radial functions available, global and compact support, interpolation/regression. This great flexibility makes RBF attractive – and their great potential has only been partially discovered. This is because of the difficulty in taking a first step toward RBF as they are not commonly part of engineers’ cultural background, but also due to the numerical complex...
Explicit appropriate basis function method for numerical solution of stiff systems
International Nuclear Information System (INIS)
Chen, Wenzhen; Xiao, Hongguang; Li, Haofeng; Chen, Ling
2015-01-01
Highlights: • An explicit numerical method called the appropriate basis function method is presented. • The method differs from the power series method for obtaining approximate numerical solutions. • Two cases show the method is fit for linear and nonlinear stiff systems. • The method is very simple and effective for most of differential equation systems. - Abstract: In this paper, an explicit numerical method, called the appropriate basis function method, is presented. The explicit appropriate basis function method differs from the power series method because it employs an appropriate basis function such as the exponential function, or periodic function, other than a polynomial, to obtain approximate numerical solutions. The method is successful and effective for the numerical solution of the first order ordinary differential equations. Two examples are presented to show the ability of the method for dealing with linear and nonlinear systems of differential equations
Solution of the neutron transport equation by means of Hermite-Ssub(infinity)-theory
International Nuclear Information System (INIS)
Brandt, D.; Haelg, W.; Mennig, J.
1979-01-01
A stable numerical approximation Hsub(α)-Ssub(infinity) is obtained through the use of Hermite's method of order α(Hsub(α)) in the spatial integration of the ID neutron transport equation. The theory for α = 1 is applied to a one-group shielding problem. Numerical calculations show the new method to converge much faster than earlier versions of Ssub(infinity)-theory. Comparison of H 1 - Ssub(infinity) with the well-known Ssub(N)-code ANISN indicates a large gain in computing time for the former. (Auth.)
Point Set Denoising Using Bootstrap-Based Radial Basis Function.
Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad
2016-01-01
This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.
Surface interpolation with radial basis functions for medical imaging
International Nuclear Information System (INIS)
Carr, J.C.; Beatson, R.K.; Fright, W.R.
1997-01-01
Radial basis functions are presented as a practical solution to the problem of interpolating incomplete surfaces derived from three-dimensional (3-D) medical graphics. The specific application considered is the design of cranial implants for the repair of defects, usually holes, in the skull. Radial basis functions impose few restrictions on the geometry of the interpolation centers and are suited to problems where interpolation centers do not form a regular grid. However, their high computational requirements have previously limited their use to problems where the number of interpolation centers is small (<300). Recently developed fast evaluation techniques have overcome these limitations and made radial basis interpolation a practical approach for larger data sets. In this paper radial basis functions are fitted to depth-maps of the skull's surface, obtained from X-ray computed tomography (CT) data using ray-tracing techniques. They are used to smoothly interpolate the surface of the skull across defect regions. The resulting mathematical description of the skull's surface can be evaluated at any desired resolution to be rendered on a graphics workstation or to generate instructions for operating a computer numerically controlled (CNC) mill
Kim, Tae Won; Barry, James P.
2016-09-01
Despite rapidly growing interest in the effects of ocean acidification on marine animals, the ability of deep-sea animals to acclimate or adapt to reduced pH conditions has received little attention. Deep-sea species are generally thought to be less tolerant of environmental variation than shallow-living species because they inhabit relatively stable conditions for nearly all environmental parameters. To explore whether deep-sea hermit crabs ( Pagurus tanneri) can acclimate to ocean acidification over several weeks, we compared behavioral "boldness," measured as time taken to re-emerge from shells after a simulated predatory attack by a toy octopus, under ambient (pH ˜7.6) and expected future (pH ˜7.1) conditions. The boldness measure for crab behavioral responses did not differ between different pH treatments, suggesting that future deep-sea acidification would not influence anti-predatory behavior. However, we did not examine the effects of olfactory cues released by predators that may affect hermit crab behavior and could be influenced by changes in the ocean carbonate system driven by increasing CO2 levels.
A new class of generalized polynomials associated with Hermite and Bernoulli polynomials
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M. A. Pathan
2015-05-01
Full Text Available In this paper, we introduce a new class of generalized polynomials associated with the modified Milne-Thomson's polynomials Φ_{n}^{(α}(x,ν of degree n and order α introduced by Derre and Simsek.The concepts of Bernoulli numbers B_n, Bernoulli polynomials B_n(x, generalized Bernoulli numbers B_n(a,b, generalized Bernoulli polynomials B_n(x;a,b,c of Luo et al, Hermite-Bernoulli polynomials {_HB}_n(x,y of Dattoli et al and {_HB}_n^{(α} (x,y of Pathan are generalized to the one {_HB}_n^{(α}(x,y,a,b,c which is called the generalized polynomial depending on three positive real parameters. Numerous properties of these polynomials and some relationships between B_n, B_n(x, B_n(a,b, B_n(x;a,b,c and {}_HB_n^{(α}(x,y;a,b,c are established. Some implicit summation formulae and general symmetry identities are derived by using different analytical means and applying generating functions. These results extend some known summations and identities of generalized Bernoulli numbers and polynomials
Gaussian basis functions for highly oscillatory scattering wavefunctions
Mant, B. P.; Law, M. M.
2018-04-01
We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.
Modeling multivariate time series on manifolds with skew radial basis functions.
Jamshidi, Arta A; Kirby, Michael J
2011-01-01
We present an approach for constructing nonlinear empirical mappings from high-dimensional domains to multivariate ranges. We employ radial basis functions and skew radial basis functions for constructing a model using data that are potentially scattered or sparse. The algorithm progresses iteratively, adding a new function at each step to refine the model. The placement of the functions is driven by a statistical hypothesis test that accounts for correlation in the multivariate range variables. The test is applied on training and validation data and reveals nonstatistical or geometric structure when it fails. At each step, the added function is fit to data contained in a spatiotemporally defined local region to determine the parameters--in particular, the scale of the local model. The scale of the function is determined by the zero crossings of the autocorrelation function of the residuals. The model parameters and the number of basis functions are determined automatically from the given data, and there is no need to initialize any ad hoc parameters save for the selection of the skew radial basis functions. Compactly supported skew radial basis functions are employed to improve model accuracy, order, and convergence properties. The extension of the algorithm to higher-dimensional ranges produces reduced-order models by exploiting the existence of correlation in the range variable data. Structure is tested not just in a single time series but between all pairs of time series. We illustrate the new methodologies using several illustrative problems, including modeling data on manifolds and the prediction of chaotic time series.
Point Set Denoising Using Bootstrap-Based Radial Basis Function.
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Khang Jie Liew
Full Text Available This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.
Hellweg, Arnim; Rappoport, Dmitrij
2015-01-14
We report optimized auxiliary basis sets for use with the Karlsruhe segmented contracted basis sets including moderately diffuse basis functions (Rappoport and Furche, J. Chem. Phys., 2010, 133, 134105) in resolution-of-the-identity (RI) post-self-consistent field (post-SCF) computations for the elements H-Rn (except lanthanides). The errors of the RI approximation using optimized auxiliary basis sets are analyzed on a comprehensive test set of molecules containing the most common oxidation states of each element and do not exceed those of the corresponding unaugmented basis sets. During these studies an unsatisfying performance of the def2-SVP and def2-QZVPP auxiliary basis sets for Barium was found and improved sets are provided. We establish the versatility of the def2-SVPD, def2-TZVPPD, and def2-QZVPPD basis sets for RI-MP2 and RI-CC (coupled-cluster) energy and property calculations. The influence of diffuse basis functions on correlation energy, basis set superposition error, atomic electron affinity, dipole moments, and computational timings is evaluated at different levels of theory using benchmark sets and showcase examples.
Directory of Open Access Journals (Sweden)
Fernando L. Mantelatto
Full Text Available Abstract The aim of this study was to characterize the pattern of gastropod shell occupation in the field and selection of shell size and type under laboratory conditions by the hermit crab Pagurus criniticornis (Dana, 1852, inhabiting the infralittoral area of Anchieta Island, São Paulo, Brazil. Hermit crabs were obtained monthly during 1999 by SCUBA diving. For experiments under laboratory conditions, samplings were performed in 2002. The hermit crabs occupied 16 species of gastropods shells. Cerithium atratum (Born, 1778 was the most occupied shell (89.31%, followed by Morula nodulosa (4.73% (Adams, 1845. No difference was observed in the pattern of occupation between males and females. The equations that best demonstrated the relationship between hermit crabs and their shells were those that involved Shell Wet Weight (SWW and Shell Internal Volume (SIV. The laboratory experiments were in accordance to the pattern of occupation observed in the field; the mean value of SAI (Shell Adequacy Index recorded to the population studied was 1.13 with a trend to increase this value in the last size classes. The results obtained corroborate with the hypothesis of the occupation process of shells governed not only by availability of shells, but also by its architecture. In addition, the shell stock in the area is one another important condition related to the exhibited pattern of shell occupation by P. criniticornis, and allows the stable coexistence among the island assemblage. The pattern of occupation observed promotes a high reproductive profile for the population studied, maximizing the populational growth.
Closed fringe demodulation using phase decomposition by Fourier basis functions.
Kulkarni, Rishikesh; Rastogi, Pramod
2016-06-01
We report a new technique for the demodulation of a closed fringe pattern by representing the phase as a weighted linear combination of a certain number of linearly independent Fourier basis functions in a given row/column at a time. A state space model is developed with the weights of the basis functions as the elements of the state vector. The iterative extended Kalman filter is effectively utilized for the robust estimation of the weights. A coarse estimate of the fringe density based on the fringe frequency map is used to determine the initial row/column to start with and subsequently the optimal number of basis functions. The performance of the proposed method is evaluated with several noisy fringe patterns. Experimental results are also reported to support the practical applicability of the proposed method.
Spherical radial basis functions, theory and applications
Hubbert, Simon; Morton, Tanya M
2015-01-01
This book is the first to be devoted to the theory and applications of spherical (radial) basis functions (SBFs), which is rapidly emerging as one of the most promising techniques for solving problems where approximations are needed on the surface of a sphere. The aim of the book is to provide enough theoretical and practical details for the reader to be able to implement the SBF methods to solve real world problems. The authors stress the close connection between the theory of SBFs and that of the more well-known family of radial basis functions (RBFs), which are well-established tools for solving approximation theory problems on more general domains. The unique solvability of the SBF interpolation method for data fitting problems is established and an in-depth investigation of its accuracy is provided. Two chapters are devoted to partial differential equations (PDEs). One deals with the practical implementation of an SBF-based solution to an elliptic PDE and another which describes an SBF approach for solvi...
Factorization of products of discontinuous functions applied to Fourier-Bessel basis.
Popov, Evgeny; Nevière, Michel; Bonod, Nicolas
2004-01-01
The factorization rules of Li [J. Opt. Soc. Am. A 13, 1870 (1996)] are generalized to a cylindrical geometry requiring the use of a Bessel function basis. A theoretical study confirms the validity of the Laurent rule when a product of two continuous functions or of one continuous and one discontinuous function is factorized. The necessity of applying the so-called inverse rule in factorizing a continuous product of two discontinuous functions in a truncated basis is demonstrated theoretically and numerically.
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Tarek Gad El-Kareem Ismail
2012-03-01
Full Text Available Directional orientation of Clibanarius signatus toward different targets of gastropod shells was studied in a circular arena upon exposure to background seawater, calcium concentrations and predatory odor. Directional orientation was absent when crabs were presented with the white background alone. Each shell was tested in different positions (e.g., anterior, posterior, upside-down, lateral. Adult crabs were tested without their gastropod shells, and orientation varied with concentration and chemical cue. With calcium, orientation increased as concentration increased up to a maximum attraction percentage and then attraction became stable. In the case of predator cues, some individuals swim away from the target toward the opposite direction representing a predator avoidance response. Whenever, the blind hermit crab C. signatus was exposed to a shell target combined with calcium or predator cues, the majority of them stop moving or move in circles around the arena center. The others exhibited uniform orientation distribution. The responsiveness was higher with calcium cues than predator cues. Thus in the absence of vision, individual hermit crabs were able to detect both calcium and predator cues and have different response regarding them.
Viriato: a Fourier-Hermite spectral code for strongly magnetised fluid-kinetic plasma dynamics
Loureiro, Nuno; Dorland, William; Fazendeiro, Luis; Kanekar, Anjor; Mallet, Alfred; Zocco, Alessandro
2015-11-01
We report on the algorithms and numerical methods used in Viriato, a novel fluid-kinetic code that solves two distinct sets of equations: (i) the Kinetic Reduced Electron Heating Model equations [Zocco & Schekochihin, 2011] and (ii) the kinetic reduced MHD (KRMHD) equations [Schekochihin et al., 2009]. Two main applications of these equations are magnetised (Alfvnénic) plasma turbulence and magnetic reconnection. Viriato uses operator splitting to separate the dynamics parallel and perpendicular to the ambient magnetic field (assumed strong). Along the magnetic field, Viriato allows for either a second-order accurate MacCormack method or, for higher accuracy, a spectral-like scheme. Perpendicular to the field Viriato is pseudo-spectral, and the time integration is performed by means of an iterative predictor-corrector scheme. In addition, a distinctive feature of Viriato is its spectral representation of the parallel velocity-space dependence, achieved by means of a Hermite representation of the perturbed distribution function. A series of linear and nonlinear benchmarks and tests are presented, with focus on 3D decaying kinetic turbulence. Work partially supported by Fundação para a Ciência e Tecnologia via Grants UID/FIS/50010/2013 and IF/00530/2013.
Satisfiability of logic programming based on radial basis function neural networks
International Nuclear Information System (INIS)
Hamadneh, Nawaf; Sathasivam, Saratha; Tilahun, Surafel Luleseged; Choon, Ong Hong
2014-01-01
In this paper, we propose a new technique to test the Satisfiability of propositional logic programming and quantified Boolean formula problem in radial basis function neural networks. For this purpose, we built radial basis function neural networks to represent the proportional logic which has exactly three variables in each clause. We used the Prey-predator algorithm to calculate the output weights of the neural networks, while the K-means clustering algorithm is used to determine the hidden parameters (the centers and the widths). Mean of the sum squared error function is used to measure the activity of the two algorithms. We applied the developed technique with the recurrent radial basis function neural networks to represent the quantified Boolean formulas. The new technique can be applied to solve many applications such as electronic circuits and NP-complete problems
Satisfiability of logic programming based on radial basis function neural networks
Energy Technology Data Exchange (ETDEWEB)
Hamadneh, Nawaf; Sathasivam, Saratha; Tilahun, Surafel Luleseged; Choon, Ong Hong [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)
2014-07-10
In this paper, we propose a new technique to test the Satisfiability of propositional logic programming and quantified Boolean formula problem in radial basis function neural networks. For this purpose, we built radial basis function neural networks to represent the proportional logic which has exactly three variables in each clause. We used the Prey-predator algorithm to calculate the output weights of the neural networks, while the K-means clustering algorithm is used to determine the hidden parameters (the centers and the widths). Mean of the sum squared error function is used to measure the activity of the two algorithms. We applied the developed technique with the recurrent radial basis function neural networks to represent the quantified Boolean formulas. The new technique can be applied to solve many applications such as electronic circuits and NP-complete problems.
A Bayesian spatial model for neuroimaging data based on biologically informed basis functions.
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
Multiscale finite element methods for high-contrast problems using local spectral basis functions
Efendiev, Yalchin
2011-02-01
In this paper we study multiscale finite element methods (MsFEMs) using spectral multiscale basis functions that are designed for high-contrast problems. Multiscale basis functions are constructed using eigenvectors of a carefully selected local spectral problem. This local spectral problem strongly depends on the choice of initial partition of unity functions. The resulting space enriches the initial multiscale space using eigenvectors of local spectral problem. The eigenvectors corresponding to small, asymptotically vanishing, eigenvalues detect important features of the solutions that are not captured by initial multiscale basis functions. Multiscale basis functions are constructed such that they span these eigenfunctions that correspond to small, asymptotically vanishing, eigenvalues. We present a convergence study that shows that the convergence rate (in energy norm) is proportional to (H/Λ*)1/2, where Λ* is proportional to the minimum of the eigenvalues that the corresponding eigenvectors are not included in the coarse space. Thus, we would like to reach to a larger eigenvalue with a smaller coarse space. This is accomplished with a careful choice of initial multiscale basis functions and the setup of the eigenvalue problems. Numerical results are presented to back-up our theoretical results and to show higher accuracy of MsFEMs with spectral multiscale basis functions. We also present a hierarchical construction of the eigenvectors that provides CPU savings. © 2010.
Learning Methods for Radial Basis Functions Networks
Czech Academy of Sciences Publication Activity Database
Neruda, Roman; Kudová, Petra
2005-01-01
Roč. 21, - (2005), s. 1131-1142 ISSN 0167-739X R&D Projects: GA ČR GP201/03/P163; GA ČR GA201/02/0428 Institutional research plan: CEZ:AV0Z10300504 Keywords : radial basis function networks * hybrid supervised learning * genetic algorithms * benchmarking Subject RIV: BA - General Mathematics Impact factor: 0.555, year: 2005
Jacobian elliptic function expansion solutions of nonlinear stochastic equations
International Nuclear Information System (INIS)
Wei Caimin; Xia Zunquan; Tian Naishuo
2005-01-01
Jacobian elliptic function expansion method is extended and applied to construct the exact solutions of the nonlinear Wick-type stochastic partial differential equations (SPDEs) and some new exact solutions are obtained via this method and Hermite transformation
Higher-Order Hierarchical Legendre Basis Functions in Applications
DEFF Research Database (Denmark)
Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter
2007-01-01
The higher-order hierarchical Legendre basis functions have been developed for eﬀective solution of integral equations with the method of moments. They are derived from orthogonal Legendre polynomials modiﬁed to enforce normal continuity between neighboring mesh elements, while preserving a high...
Nonlinear System Identification via Basis Functions Based Time Domain Volterra Model
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Yazid Edwar
2014-07-01
Full Text Available This paper proposes basis functions based time domain Volterra model for nonlinear system identification. The Volterra kernels are expanded by using complex exponential basis functions and estimated via genetic algorithm (GA. The accuracy and practicability of the proposed method are then assessed experimentally from a scaled 1:100 model of a prototype truss spar platform. Identification results in time and frequency domain are presented and coherent functions are performed to check the quality of the identification results. It is shown that results between experimental data and proposed method are in good agreement.
Accurate correlation energies in one-dimensional systems from small system-adapted basis functions
Baker, Thomas E.; Burke, Kieron; White, Steven R.
2018-02-01
We propose a general method for constructing system-dependent basis functions for correlated quantum calculations. Our construction combines features from several traditional approaches: plane waves, localized basis functions, and wavelets. In a one-dimensional mimic of Coulomb systems, it requires only 2-3 basis functions per electron to achieve high accuracy, and reproduces the natural orbitals. We illustrate its effectiveness for molecular energy curves and chains of many one-dimensional atoms. We discuss the promise and challenges for realistic quantum chemical calculations.
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.
Special functions for scientists and engineers
Bell, William Wallace
1968-01-01
Clear and comprehensive, this text provides undergraduates with a straightforward guide to special functions. It is equally suitable as a reference volume for professionals, and readers need no higher level of mathematical knowledge beyond elementary calculus. Topics include the solution of second-order differential equations in terms of power series; gamma and beta functions; Legendre polynomials and functions; Bessel functions; Hermite, Laguerre, and Chebyshev polynomials; Gegenbauer and Jacobi polynomials; and hypergeometric and other special functions. Three appendices offer convenient t
Learning Mixtures of Truncated Basis Functions from Data
DEFF Research Database (Denmark)
Langseth, Helge; Nielsen, Thomas Dyhre; Pérez-Bernabé, Inmaculada
2014-01-01
In this paper we investigate methods for learning hybrid Bayesian networks from data. First we utilize a kernel density estimate of the data in order to translate the data into a mixture of truncated basis functions (MoTBF) representation using a convex optimization technique. When utilizing a ke...... propose an alternative learning method that relies on the cumulative distribution function of the data. Empirical results demonstrate the usefulness of the approaches: Even though the methods produce estimators that are slightly poorer than the state of the art (in terms of log......In this paper we investigate methods for learning hybrid Bayesian networks from data. First we utilize a kernel density estimate of the data in order to translate the data into a mixture of truncated basis functions (MoTBF) representation using a convex optimization technique. When utilizing......-likelihood), they are significantly faster, and therefore indicate that the MoTBF framework can be used for inference and learning in reasonably sized domains. Furthermore, we show how a particular sub- class of MoTBF potentials (learnable by the proposed methods) can be exploited to significantly reduce complexity during inference....
White, Stephen J; Briffa, Mark
2017-02-01
Natural animal populations are increasingly exposed to human impacts on the environment, which could have consequences for their behaviour. Among these impacts is exposure to anthropogenic contaminants. Any environmental variable that influences internal state could impact behaviour across a number of levels: at the sample mean, at the level of among-individual differences in behaviour ('animal personality') and at the level of within-individual variation in behaviour (intra-individual variation, 'IIV'). Here we examined the effect of exposure to seawater-borne copper on the startle response behaviour of European hermit crabs, Pagurus bernhardus across these levels. Copper exposure rapidly led to longer startle responses on average, but did not lead to any change in repeatability indicating that individual differences were present and equally consistent in the presence and absence of copper. There was no strong evidence that copper exposure led to changes in IIV. Our data show that exposure to copper for 1 week produces sample mean level changes in the behaviour of hermit crabs. However, there is no evidence that this exposure led to changes in repeatability through feedback loops.
Radial Basis Function Based Quadrature over Smooth Surfaces
2016-03-24
Radial Basis Functions φ(r) Piecewise Smooth (Conditionally Positive Definite) MN Monomial |r|2m+1 TPS thin plate spline |r|2mln|r| Infinitely Smooth...smooth surfaces using polynomial interpolants, while [27] couples Thin - Plate Spline interpolation (see table 1) with Green’s integral formula [29
Pythagorean hodograph spline spirals that match G3 Hermite data from circles
Li, Zhong; Ait-Haddou, Rachid; Biard, Luc
2015-01-01
A construction is given for a G3 piecewise rational Pythagorean hodograph convex spiral which interpolates two G3 Hermite data associated with two non-concentric circles, one being inside the other. The spiral solution is of degree 7 and is the involute of a G2 convex curve, referred to as the evolute solution, with prescribed length, and composed of two PH quartic curves. Conditions for G3 continuous contact with circles are then studied and it turns out that an ordinary cusp at each end of the evolute solution is required. Thus, geometric properties of a family of PH polynomial quartics, allowing to generate such an ordinary cusp at one end, are studied. Finally, a constructive algorithm is described with illustrative examples.
Pythagorean hodograph spline spirals that match G3 Hermite data from circles
Li, Zhong
2015-04-01
A construction is given for a G3 piecewise rational Pythagorean hodograph convex spiral which interpolates two G3 Hermite data associated with two non-concentric circles, one being inside the other. The spiral solution is of degree 7 and is the involute of a G2 convex curve, referred to as the evolute solution, with prescribed length, and composed of two PH quartic curves. Conditions for G3 continuous contact with circles are then studied and it turns out that an ordinary cusp at each end of the evolute solution is required. Thus, geometric properties of a family of PH polynomial quartics, allowing to generate such an ordinary cusp at one end, are studied. Finally, a constructive algorithm is described with illustrative examples.
Yang, Jingjing; Cox, Dennis D; Lee, Jong Soo; Ren, Peng; Choi, Taeryon
2017-12-01
Functional data are defined as realizations of random functions (mostly smooth functions) varying over a continuum, which are usually collected on discretized grids with measurement errors. In order to accurately smooth noisy functional observations and deal with the issue of high-dimensional observation grids, we propose a novel Bayesian method based on the Bayesian hierarchical model with a Gaussian-Wishart process prior and basis function representations. We first derive an induced model for the basis-function coefficients of the functional data, and then use this model to conduct posterior inference through Markov chain Monte Carlo methods. Compared to the standard Bayesian inference that suffers serious computational burden and instability in analyzing high-dimensional functional data, our method greatly improves the computational scalability and stability, while inheriting the advantage of simultaneously smoothing raw observations and estimating the mean-covariance functions in a nonparametric way. In addition, our method can naturally handle functional data observed on random or uncommon grids. Simulation and real studies demonstrate that our method produces similar results to those obtainable by the standard Bayesian inference with low-dimensional common grids, while efficiently smoothing and estimating functional data with random and high-dimensional observation grids when the standard Bayesian inference fails. In conclusion, our method can efficiently smooth and estimate high-dimensional functional data, providing one way to resolve the curse of dimensionality for Bayesian functional data analysis with Gaussian-Wishart processes. © 2017, The International Biometric Society.
[Biology and ecology of the terrestrial hermit crab coenobita scaevola forskål of the Red Sea].
Niggemann, Renate
1968-06-01
The terrestrial hermit crab Coenobita scaevola is very common on the coast of the Red Sea. The species depends on the sea for its source of food (wrack-fauna), source of drinking-water and water for moistening gills and abdomen. Only in the supra-litoral zone they find gastropod shells to protect their abdomen against insolation, desiccation and mechanical damage. Coenobita scaevola stays in one place for a long time if good living conditions are available. The time of activity of the juveniles differs from one place to another. Some are diurnal, others are nocturnal. There is no evident relation to the ecological factors. Most of the adults are nocturnal. No Coenobita could be collected in Barber traps. The avoidance of such traps by arthropodes has never been observed before. Coenobita scaevola can live for quite a long time under water of sufficient temperature and salinity. The osmotic regulation of the land-hermit crab differs from that of other shore animals. Coenobita can tolerate a wide range of blood concentrations (25-70‰). It controls the concentration of its blood by selecting water of the appropriate salinity.The static problems of Coenobita are solved by regular movement of the legs and special articulation of the legs.As Coenobita scaevola is a phylogenetically young land animal it carries many inhabitants of marine and terrestrial origin.
Phase-based motion magnification video for monitoring of vital signals using the Hermite transform
Brieva, Jorge; Moya-Albor, Ernesto
2017-11-01
In this paper we present a new Eulerian phase-based motion magnification technique using the Hermite Transform (HT) decomposition that is inspired in the Human Vision System (HVS). We test our method in one sequence of the breathing of a newborn baby and on a video sequence that shows the heartbeat on the wrist. We detect and magnify the heart pulse applying our technique. Our motion magnification approach is compared to the Laplacian phase based approach by means of quantitative metrics (based on the RMS error and the Fourier transform) to measure the quality of both reconstruction and magnification. In addition a noise robustness analysis is performed for the two methods.
Self-focusing of a Hermite-cosh Gaussian laser beam in a magnetoplasma with ramp density profile
International Nuclear Information System (INIS)
Nanda, Vikas; Kant, Niti; Wani, Manzoor Ahmad
2013-01-01
The early and strong self-focusing of a Hermite-cosh-Gaussian laser beam in magnetoplasma in the presence of density ramp has been observed. Focusing and de-focusing nature of the Hermite-cosh-Gaussian laser beam with decentered parameter and magnetic field has been studied, and strong self-focusing is reported. It is investigated that decentered parameter 'b' plays a significant role for the self-focusing of the laser beam and is very sensitive as in case of extraordinary mode. For mode indices, m = 0, 1, 2, and b = 4.00, 3.14, and 2.05, strong self-focusing is observed. Similarly in case of ordinary mode, for m = 0, 1, 2 and b = 4.00, 3.14, 2.049, respectively, strong self-focusing is reported. Further, it is seen that extraordinary mode is more prominent toward self-focusing rather than ordinary mode of propagation. For mode indices m = 0, 1, and 2, diffraction term becomes more dominant over nonlinear term for decentered parameter b=0. For selective higher values of decentered parameter in case of mode indices m=0, 1, and 2, self-focusing effect becomes strong for extraordinary mode. Also increase in the value of magnetic field enhances the self-focusing ability of the laser beam, which is very useful in the applications like the generation of inertial fusion energy driven by lasers, laser driven accelerators, and x-ray lasers
Self-focusing of a Hermite-cosh Gaussian laser beam in a magnetoplasma with ramp density profile
Energy Technology Data Exchange (ETDEWEB)
Nanda, Vikas; Kant, Niti; Wani, Manzoor Ahmad [Department of Physics, Lovely Professional University, Phagwara 144411, Punjab (India)
2013-11-15
The early and strong self-focusing of a Hermite-cosh-Gaussian laser beam in magnetoplasma in the presence of density ramp has been observed. Focusing and de-focusing nature of the Hermite-cosh-Gaussian laser beam with decentered parameter and magnetic field has been studied, and strong self-focusing is reported. It is investigated that decentered parameter 'b' plays a significant role for the self-focusing of the laser beam and is very sensitive as in case of extraordinary mode. For mode indices, m = 0, 1, 2, and b = 4.00, 3.14, and 2.05, strong self-focusing is observed. Similarly in case of ordinary mode, for m = 0, 1, 2 and b = 4.00, 3.14, 2.049, respectively, strong self-focusing is reported. Further, it is seen that extraordinary mode is more prominent toward self-focusing rather than ordinary mode of propagation. For mode indices m = 0, 1, and 2, diffraction term becomes more dominant over nonlinear term for decentered parameter b=0. For selective higher values of decentered parameter in case of mode indices m=0, 1, and 2, self-focusing effect becomes strong for extraordinary mode. Also increase in the value of magnetic field enhances the self-focusing ability of the laser beam, which is very useful in the applications like the generation of inertial fusion energy driven by lasers, laser driven accelerators, and x-ray lasers.
Modeling Marine Electromagnetic Survey with Radial Basis Function Networks
Directory of Open Access Journals (Sweden)
Agus Arif
2014-11-01
Full Text Available A marine electromagnetic survey is an engineering endeavour to discover the location and dimension of a hydrocarbon layer under an ocean floor. In this kind of survey, an array of electric and magnetic receivers are located on the sea floor and record the scattered, refracted and reflected electromagnetic wave, which has been transmitted by an electric dipole antenna towed by a vessel. The data recorded in receivers must be processed and further analysed to estimate the hydrocarbon location and dimension. To conduct those analyses successfuly, a radial basis function (RBF network could be employed to become a forward model of the input-output relationship of the data from a marine electromagnetic survey. This type of neural networks is working based on distances between its inputs and predetermined centres of some basis functions. A previous research had been conducted to model the same marine electromagnetic survey using another type of neural networks, which is a multi layer perceptron (MLP network. By comparing their validation and training performances (mean-squared errors and correlation coefficients, it is concluded that, in this case, the MLP network is comparatively better than the RBF network[1].[1] This manuscript is an extended version of our previous paper, entitled Radial Basis Function Networks for Modeling Marine Electromagnetic Survey, which had been presented on 2011 International Conference on Electrical Engineering and Informatics, 17-19 July 2011, Bandung, Indonesia.
Implementation of Associated Hermite FDTD Method in Handling INBCs for Shielding Analysis
Directory of Open Access Journals (Sweden)
Lihua Shi
2016-01-01
Full Text Available For modeling of electrically thin conductive shields, the unconditionally stable Associated Hermite (AH FDTD scheme is combined with the impedance network boundary conditions (INBCs in this paper. The two-port network equations of INBCs in frequency domain are transformed into AH domain to represent the relationship of tangential components of the electric and magnetic fields at faces of the shield. The established AH-INBCs shielding boundaries are incorporated into a set of implicit equations to calculate the expansion coefficients vectors of electromagnetic fields in the computational domain. The method is free of CFL condition and no convolution integral operation for solving the conventional INBCs-FDTD is involved. Numerical example shows that, compared with analytical solutions and conventional FDTD method, the proposed algorithm is efficient and accurate.
Liu, Changying; Iserles, Arieh; Wu, Xinyuan
2018-03-01
The Klein-Gordon equation with nonlinear potential occurs in a wide range of application areas in science and engineering. Its computation represents a major challenge. The main theme of this paper is the construction of symmetric and arbitrarily high-order time integrators for the nonlinear Klein-Gordon equation by integrating Birkhoff-Hermite interpolation polynomials. To this end, under the assumption of periodic boundary conditions, we begin with the formulation of the nonlinear Klein-Gordon equation as an abstract second-order ordinary differential equation (ODE) and its operator-variation-of-constants formula. We then derive a symmetric and arbitrarily high-order Birkhoff-Hermite time integration formula for the nonlinear abstract ODE. Accordingly, the stability, convergence and long-time behaviour are rigorously analysed once the spatial differential operator is approximated by an appropriate positive semi-definite matrix, subject to suitable temporal and spatial smoothness. A remarkable characteristic of this new approach is that the requirement of temporal smoothness is reduced compared with the traditional numerical methods for PDEs in the literature. Numerical results demonstrate the advantage and efficiency of our time integrators in comparison with the existing numerical approaches.
Directory of Open Access Journals (Sweden)
T. M. Farias
2013-12-01
Full Text Available The molecular weight distribution (MWD and its parameters are of the fundamental importance in the characterization of polymers. Therefore, the development of techniques for faster MWD determination is a relevant issue. This paper aims at implementing one of the relaxation models from double reptation theory proposed in the literature and analyzing the numeric strategy for the evaluation of the integrals appearing in the relaxation model. The inverse problem, i.e., the determination of the MWD from rheological data using a specified relaxation model and an imposed distribution function was approximated. Concerning the numerical strategy for the evaluation of the integrals appearing in the relaxation models, the use of Gauss-Hermite quadrature using a new change of variables was proposed. In the test of samples of polyethylene with polydispersities less than 10, the application of this methodology led to MWD curves which provided a good fit of the experimental SEC data.
Quantum phase space with a basis of Wannier functions
Fang, Yuan; Wu, Fan; Wu, Biao
2018-02-01
A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn’s method and Löwdin method such that each Wannier function is localized at a Planck cell. With these Wannier functions one can map a wave function unitarily onto phase space. Various examples are used to illustrate our method and compare it to Wigner function. The advantage of our method is that it can smooth out the oscillations in wave functions without losing any information and is potentially a better tool in studying quantum-classical correspondence. In addition, we point out that our method can be used for time-frequency analysis of signals.
Photon distribution function for stocks wave for stimulated Raman scattering
International Nuclear Information System (INIS)
Man'ko, O.V.; Tcherniega, N.V.
1997-04-01
New time-dependent integrals of motion are found for stimulated Raman scattering. Explicit formula for the photon-number probability distribution as a function of the laser-field intensity and the medium parameters is obtained in terms of Hermite polynomials of two variables. (author). 29 refs
Directory of Open Access Journals (Sweden)
J. E. GARCIA RASO
2013-12-01
Full Text Available We report the first occurrence in the European Mediterranean Sea of a tropical Atlantic hermit crab, Pagurus mbizi (Forest, 1955, based on the capture of twenty specimens (all sizes and ovigerous females collected along the northern shores of the Alboran Sea, which proof the existence of a well-established population of this species, and the importance of this geographic area as a transitional and settlement zone for Atlantic species, which makes the Alboran Sea one of the richest marine biodiversity areas in the Mediterranean Sea. Some morphological comparative data with the closely related hermit crab Pagurus pubescentulus are given. In addition, data on its habitat and geographical distribution, as well as the probable pathways of introduction, are commented.
Maaskant, R.; Mittra, R.; Tijhuis, A.G.; Graglia, R.D.
2007-01-01
This paper describes a novel technique for generating the characteristic basis functions (CBFs) used to represent the surface currents on finite arrays of electrically interconnected antenna elements. The CBFs are high-level basis functions, defined on subdomains in which the original problem is
Hyperbolic white noise functional solutions of Wick-type stochastic compound KdV-Burgers equations
International Nuclear Information System (INIS)
Han Xiu; Xie Yingchao
2009-01-01
Variable coefficient and Wick-type stochastic compound KdV-Burgers equations are investigated. By using white noise analysis, Hermite transform and the hyperbolic function method, we obtain a number of Wick versions of hyperbolic white noise functional solutions and hyperbolic function solutions for Wick-type stochastic and variable coefficient compound KdV-Burgers equations, respectively.
Solution of stochastic nonlinear PDEs using Wiener-Hermite expansion of high orders
El Beltagy, Mohamed
2016-01-01
In this work, the Wiener-Hermite Expansion (WHE) is used to solve stochastic nonlinear PDEs excited with noise. The generation of the equivalent set of deterministic integro-differential equations is automated and hence allows for high order terms of WHE. The automation difficulties are discussed, solved and implemented to output the final system to be solved. A numerical Pikard-like algorithm is suggested to solve the resulting deterministic system. The automated WHE is applied to the 1D diffusion equation and to the heat equation. The results are compared with previous solutions obtained with WHEP (WHE with perturbation) technique. The solution obtained using the suggested WHE technique is shown to be the limit of the WHEP solutions with infinite number of corrections. The automation is extended easily to account for white-noise of higher dimension and for general nonlinear PDEs.
Solution of stochastic nonlinear PDEs using Wiener-Hermite expansion of high orders
El Beltagy, Mohamed
2016-01-06
In this work, the Wiener-Hermite Expansion (WHE) is used to solve stochastic nonlinear PDEs excited with noise. The generation of the equivalent set of deterministic integro-differential equations is automated and hence allows for high order terms of WHE. The automation difficulties are discussed, solved and implemented to output the final system to be solved. A numerical Pikard-like algorithm is suggested to solve the resulting deterministic system. The automated WHE is applied to the 1D diffusion equation and to the heat equation. The results are compared with previous solutions obtained with WHEP (WHE with perturbation) technique. The solution obtained using the suggested WHE technique is shown to be the limit of the WHEP solutions with infinite number of corrections. The automation is extended easily to account for white-noise of higher dimension and for general nonlinear PDEs.
Plumley, Joshua A; Dannenberg, J J
2011-06-01
We evaluate the performance of ten functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D, and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-density functional theory (non-DFT) molecular orbital (MO) calculations and to experimental results. Several of the smaller basis sets lead to qualitatively incorrect geometries when optimized on a normal potential energy surface (PES). This problem disappears when the optimization is performed on a counterpoise (CP) corrected PES. The calculated interaction energies (ΔEs) with the largest basis sets vary from -4.42 (B97D) to -5.19 (B2PLYPD) kcal/mol for the different functionals. Small basis sets generally predict stronger interactions than the large ones. We found that, because of error compensation, the smaller basis sets gave the best results (in comparison to experimental and high-level non-DFT MO calculations) when combined with a functional that predicts a weak interaction with the largest basis set. As many applications are complex systems and require economical calculations, we suggest the following functional/basis set combinations in order of increasing complexity and cost: (1) D95(d,p) with B3LYP, B97D, M06, or MPWB1k; (2) 6-311G(d,p) with B3LYP; (3) D95++(d,p) with B3LYP, B97D, or MPWB1K; (4) 6-311++G(d,p) with B3LYP or B97D; and (5) aug-cc-pVDZ with M05-2X, M06-2X, or X3LYP. Copyright © 2011 Wiley Periodicals, Inc.
New one-flavor hybrid Monte Carlo simulation method for lattice fermions with γ5 hermiticity
International Nuclear Information System (INIS)
Ogawa, Kenji
2011-01-01
We propose a new method for Hybrid Monte Carlo (HMC) simulations with odd numbers of dynamical fermions on the lattice. It employs a different approach from polynomial or rational HMC. In this method, γ 5 hermiticity of the lattice Dirac operators is crucial and it can be applied to Wilson, domain-wall, and overlap fermions. We compare HMC simulations with two degenerate flavors and (1+1) degenerate flavors using optimal domain-wall fermions. The ratio of the efficiency, (number of accepted trajectories)/(simulation time), is about 3:2. The relation between pseudofermion action of chirally symmetric lattice fermions in four-dimensional (overlap) and five-dimensional (domain-wall) representation are also analyzed.
MR-guided dynamic PET reconstruction with the kernel method and spectral temporal basis functions
Novosad, Philip; Reader, Andrew J.
2016-06-01
Recent advances in dynamic positron emission tomography (PET) reconstruction have demonstrated that it is possible to achieve markedly improved end-point kinetic parameter maps by incorporating a temporal model of the radiotracer directly into the reconstruction algorithm. In this work we have developed a highly constrained, fully dynamic PET reconstruction algorithm incorporating both spectral analysis temporal basis functions and spatial basis functions derived from the kernel method applied to a co-registered T1-weighted magnetic resonance (MR) image. The dynamic PET image is modelled as a linear combination of spatial and temporal basis functions, and a maximum likelihood estimate for the coefficients can be found using the expectation-maximization (EM) algorithm. Following reconstruction, kinetic fitting using any temporal model of interest can be applied. Based on a BrainWeb T1-weighted MR phantom, we performed a realistic dynamic [18F]FDG simulation study with two noise levels, and investigated the quantitative performance of the proposed reconstruction algorithm, comparing it with reconstructions incorporating either spectral analysis temporal basis functions alone or kernel spatial basis functions alone, as well as with conventional frame-independent reconstruction. Compared to the other reconstruction algorithms, the proposed algorithm achieved superior performance, offering a decrease in spatially averaged pixel-level root-mean-square-error on post-reconstruction kinetic parametric maps in the grey/white matter, as well as in the tumours when they were present on the co-registered MR image. When the tumours were not visible in the MR image, reconstruction with the proposed algorithm performed similarly to reconstruction with spectral temporal basis functions and was superior to both conventional frame-independent reconstruction and frame-independent reconstruction with kernel spatial basis functions. Furthermore, we demonstrate that a joint spectral
Leclerc, Arnaud; Carrington, Tucker
2014-05-07
We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH3CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about 10(20) components and would hence require about 8 × 10(11) GB. With the approach of this paper only 1 GB of memory is necessary. Results for CH3CN agree well with those of a previous calculation on the same potential.
Radial basis function and its application in tourism management
Hu, Shan-Feng; Zhu, Hong-Bin; Zhao, Lei
2018-05-01
In this work, several applications and the performances of the radial basis function (RBF) are briefly reviewed at first. After that, the binomial function combined with three different RBFs including the multiquadric (MQ), inverse quadric (IQ) and inverse multiquadric (IMQ) distributions are adopted to model the tourism data of Huangshan in China. Simulation results showed that all the models match very well with the sample data. It is found that among the three models, the IMQ-RBF model is more suitable for forecasting the tourist flow.
Keiler, J.; Richter, S.; Wirkner, C.S.
2015-01-01
The emergence of king crabs from a hermit crab-like ancestor is one of the most curious events in decapod evolution. King crabs comprise two taxa, Lithodidae and Hapalogastridae, and while lithodids have formed the focus of various anatomical studies, the internal anatomy of hapalogastrids has never
A more accurate half-discrete Hardy-Hilbert-type inequality with the logarithmic function.
Wang, Aizhen; Yang, Bicheng
2017-01-01
By means of the weight functions, the technique of real analysis and Hermite-Hadamard's inequality, a more accurate half-discrete Hardy-Hilbert-type inequality related to the kernel of logarithmic function and a best possible constant factor is given. Moreover, the equivalent forms, the operator expressions, the reverses and some particular cases are also considered.
Directory of Open Access Journals (Sweden)
Hansson Bill S
2008-06-01
Full Text Available Abstract Background During the evolutionary radiation of Crustacea, several lineages in this taxon convergently succeeded in meeting the physiological challenges connected to establishing a fully terrestrial life style. These physiological adaptations include the need for sensory organs of terrestrial species to function in air rather than in water. Previous behavioral and neuroethological studies have provided solid evidence that the land hermit crabs (Coenobitidae, Anomura are a group of crustaceans that have evolved a good sense of aerial olfaction during the conquest of land. We wanted to study the central olfactory processing areas in the brains of these organisms and to that end analyzed the brain of Coenobita clypeatus (Herbst, 1791; Anomura, Coenobitidae, a fully terrestrial tropical hermit crab, by immunohistochemistry against synaptic proteins, serotonin, FMRFamide-related peptides, and glutamine synthetase. Results The primary olfactory centers in this species dominate the brain and are composed of many elongate olfactory glomeruli. The secondary olfactory centers that receive an input from olfactory projection neurons are almost equally large as the olfactory lobes and are organized into parallel neuropil lamellae. The architecture of the optic neuropils and those areas associated with antenna two suggest that C. clypeatus has visual and mechanosensory skills that are comparable to those of marine Crustacea. Conclusion In parallel to previous behavioral findings of a good sense of aerial olfaction in C. clypeatus, our results indicate that in fact their central olfactory pathway is most prominent, indicating that olfaction is a major sensory modality that these brains process. Interestingly, the secondary olfactory neuropils of insects, the mushroom bodies, also display a layered structure (vertical and medial lobes, superficially similar to the lamellae in the secondary olfactory centers of C. clypeatus. More detailed analyses with
Energy Technology Data Exchange (ETDEWEB)
Marquette, Ian, E-mail: i.marquette@uq.edu.au [School of Mathematics and Physics, The University of Queensland, Brisbane, QLD 4072 (Australia); Quesne, Christiane, E-mail: cquesne@ulb.ac.be [Physique Nucléaire Théorique et Physique Mathématique, Université Libre de Bruxelles, Campus de la Plaine CP229, Boulevard du Triomphe, B-1050 Brussels (Belgium)
2016-05-15
The purpose of this communication is to point out the connection between a 1D quantum Hamiltonian involving the fourth Painlevé transcendent P{sub IV}, obtained in the context of second-order supersymmetric quantum mechanics and third-order ladder operators, with a hierarchy of families of quantum systems called k-step rational extensions of the harmonic oscillator and related with multi-indexed X{sub m{sub 1,m{sub 2,…,m{sub k}}}} Hermite exceptional orthogonal polynomials of type III. The connection between these exactly solvable models is established at the level of the equivalence of the Hamiltonians using rational solutions of the fourth Painlevé equation in terms of generalized Hermite and Okamoto polynomials. We also relate the different ladder operators obtained by various combinations of supersymmetric constructions involving Darboux-Crum and Krein-Adler supercharges, their zero modes and the corresponding energies. These results will demonstrate and clarify the relation observed for a particular case in previous papers.
Beheshti, Alireza
2018-03-01
The contribution addresses the finite element analysis of bending of plates given the Kirchhoff-Love model. To analyze the static deformation of plates with different loadings and geometries, the principle of virtual work is used to extract the weak form. Following deriving the strain field, stresses and resultants may be obtained. For constructing four-node quadrilateral plate elements, the Hermite polynomials defined with respect to the variables in the parent space are applied explicitly. Based on the approximated field of displacement, the stiffness matrix and the load vector in the finite element method are obtained. To demonstrate the performance of the subparametric 4-node plate elements, some known, classical examples in structural mechanics are solved and there are comparisons with the analytical solutions available in the literature.
On-line learning in radial basis functions networks
Freeman, Jason; Saad, David
1997-01-01
An analytic investigation of the average case learning and generalization properties of Radial Basis Function Networks (RBFs) is presented, utilising on-line gradient descent as the learning rule. The analytic method employed allows both the calculation of generalization error and the examination of the internal dynamics of the network. The generalization error and internal dynamics are then used to examine the role of the learning rate and the specialization of the hidden units, which gives ...
Fourier expansions and multivariable Bessel functions concerning radiation programmes
International Nuclear Information System (INIS)
Dattoli, G.; Richetta, M.; Torre, A.; Chiccoli, C.; Lorenzutta, S.; Maino, G.
1996-01-01
The link between generalized Bessel functions and other special functions is investigated using the Fourier series and the generalized Jacobi-Anger expansion. A new class of multivariable Hermite polynomials is then introduced and their relevance to physical problems discussed. As an example of the power of the method, applied to radiation physics, we analyse the role played by multi-variable Bessel functions in the description of radiation emitted by a charge constrained to a nonlinear oscillation. (author)
Luigi Gatteschi's work on asymptotics of special functions and their zeros
Gautschi, Walter; Giordano, Carla
2008-12-01
A good portion of Gatteschi's research publications-about 65%-is devoted to asymptotics of special functions and their zeros. Most prominently among the special functions studied figure classical orthogonal polynomials, notably Jacobi polynomials and their special cases, Laguerre polynomials, and Hermite polynomials by implication. Other important classes of special functions dealt with are Bessel functions of the first and second kind, Airy functions, and confluent hypergeometric functions, both in Tricomi's and Whittaker's form. This work is reviewed here, and organized along methodological lines.
Compactly Supported Basis Functions as Support Vector Kernels for Classification.
Wittek, Peter; Tan, Chew Lim
2011-10-01
Wavelet kernels have been introduced for both support vector regression and classification. Most of these wavelet kernels do not use the inner product of the embedding space, but use wavelets in a similar fashion to radial basis function kernels. Wavelet analysis is typically carried out on data with a temporal or spatial relation between consecutive data points. We argue that it is possible to order the features of a general data set so that consecutive features are statistically related to each other, thus enabling us to interpret the vector representation of an object as a series of equally or randomly spaced observations of a hypothetical continuous signal. By approximating the signal with compactly supported basis functions and employing the inner product of the embedding L2 space, we gain a new family of wavelet kernels. Empirical results show a clear advantage in favor of these kernels.
Application of natural basis functions to soft x-ray tomography
International Nuclear Information System (INIS)
Ingesson, L.
2000-03-01
Natural basis functions (NBFs), also known as natural pixels in the literature, have been applied in tomographic reconstructions of simulated measurements for the JET soft x-ray system, which has a total of about 200 detectors spread over 6 directions. Various types of NBFs, i.e. normal, generalized and orthonormal NBFs, are reviewed. The number of basis functions is roughly equal to the number of measurements. Therefore, little a priori information is required as regularization and truncated singular-value decomposition can be used for the tomographic inversion. The results of NBFs are compared with reconstructions by the same solution technique using local basis functions (LBFs), and with the reconstructions of a conventional constrained-optimization tomography method with many more LBFs that requires more a priori information. Although the results of the conventional method are superior due to the a priori information, the results of the NBF and other LBF methods are reasonable and show the main features. Therefore, NBFs are a promising way to assess whether features in reconstructions are real or artefacts resulting from the a priori information. Of the NBFs, regular triangular (generalized) NBFs give the most acceptable reconstructions, much better than traditional square pixels, although the reconstructions with pyramid-shaped LBFs are also reasonable and have slightly smaller reconstruction errors. A more-regular (virtual) viewing geometry improves the reconstructions. However, simulations with a viewing geometry with a total of 480 channels spread over 12 directions clearly show that a priori information still improves the reconstructions considerably. (author)
Radial basis function neural network in fault detection of automotive ...
African Journals Online (AJOL)
Radial basis function neural network in fault detection of automotive engines. ... Five faults have been simulated on the MVEM, including three sensor faults, one component fault and one actuator fault. The three sensor faults ... Keywords: Automotive engine, independent RBFNN model, RBF neural network, fault detection
Complexity of Gaussian-Radial-Basis Networks Approximating Smooth Functions
Czech Academy of Sciences Publication Activity Database
Kainen, P.C.; Kůrková, Věra; Sanguineti, M.
2009-01-01
Roč. 25, č. 1 (2009), s. 63-74 ISSN 0885-064X R&D Projects: GA ČR GA201/08/1744 Institutional research plan: CEZ:AV0Z10300504 Keywords : Gaussian-radial-basis-function networks * rates of approximation * model complexity * variation norms * Bessel and Sobolev norms * tractability of approximation Subject RIV: IN - Informatics, Computer Science Impact factor: 1.227, year: 2009
Hermite-cosine-Gaussian laser beam and its propagation characteristics in turbulent atmosphere.
Eyyuboğlu, Halil Tanyer
2005-08-01
Hermite-cosine-Gaussian (HcosG) laser beams are studied. The source plane intensity of the HcosG beam is introduced and its dependence on the source parameters is examined. By application of the Fresnel diffraction integral, the average receiver intensity of HcosG beam is formulated for the case of propagation in turbulent atmosphere. The average receiver intensity is seen to reduce appropriately to various special cases. When traveling in turbulence, the HcosG beam initially experiences the merging of neighboring beam lobes, and then a TEM-type cosh-Gaussian beam is formed, temporarily leading to a plain cosh-Gaussian beam. Eventually a pure Gaussian beam results. The numerical evaluation of the normalized beam size along the propagation axis at selected mode indices indicates that relative spreading of higher-order HcosG beam modes is less than that of the lower-order counterparts. Consequently, it is possible at some propagation distances to capture more power by using higher-mode-indexed HcosG beams.
Parallel iterative solution of the Hermite Collocation equations on GPUs II
International Nuclear Information System (INIS)
Vilanakis, N; Mathioudakis, E
2014-01-01
Hermite Collocation is a high order finite element method for Boundary Value Problems modelling applications in several fields of science and engineering. Application of this integration free numerical solver for the solution of linear BVPs results in a large and sparse general system of algebraic equations, suggesting the usage of an efficient iterative solver especially for realistic simulations. In part I of this work an efficient parallel algorithm of the Schur complement method coupled with Bi-Conjugate Gradient Stabilized (BiCGSTAB) iterative solver has been designed for multicore computing architectures with a Graphics Processing Unit (GPU). In the present work the proposed algorithm has been extended for high performance computing environments consisting of multiprocessor machines with multiple GPUs. Since this is a distributed GPU and shared CPU memory parallel architecture, a hybrid memory treatment is needed for the development of the parallel algorithm. The realization of the algorithm took place on a multiprocessor machine HP SL390 with Tesla M2070 GPUs using the OpenMP and OpenACC standards. Execution time measurements reveal the efficiency of the parallel implementation
Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.
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.
Bruni, S.; Llombart, N.; Neto, A.; Gerini, G.; Maci, S.
2004-01-01
A method is proposed for the analysis of arrays of linear printed antennas. After the formulation of pertinent set of integral equations, the appropriate equivalent currents of the Method of Moments are represented in terms of two sets of entire domain basis functions. These functions synthesize on
Exponential Convergence for Numerical Solution of Integral Equations Using Radial Basis Functions
Directory of Open Access Journals (Sweden)
Zakieh Avazzadeh
2014-01-01
Full Text Available We solve some different type of Urysohn integral equations by using the radial basis functions. These types include the linear and nonlinear Fredholm, Volterra, and mixed Volterra-Fredholm integral equations. Our main aim is to investigate the rate of convergence to solve these equations using the radial basis functions which have normic structure that utilize approximation in higher dimensions. Of course, the use of this method often leads to ill-posed systems. Thus we propose an algorithm to improve the results. Numerical results show that this method leads to the exponential convergence for solving integral equations as it was already confirmed for partial and ordinary differential equations.
A more accurate half-discrete Hardy-Hilbert-type inequality with the logarithmic function
Directory of Open Access Journals (Sweden)
Aizhen Wang
2017-06-01
Full Text Available Abstract By means of the weight functions, the technique of real analysis and Hermite-Hadamard’s inequality, a more accurate half-discrete Hardy-Hilbert-type inequality related to the kernel of logarithmic function and a best possible constant factor is given. Moreover, the equivalent forms, the operator expressions, the reverses and some particular cases are also considered.
DEFF Research Database (Denmark)
Falk, Anne Katrine Vinther; Gryning, Sven-Erik
1997-01-01
In this model for atmospheric dispersion particles are simulated by the Langevin Equation, which is a stochastic differential equation. It uses the probability density function (PDF) of the vertical velocity fluctuations as input. The PDF is constructed as an expansion after Hermite polynomials...
Bruni, S.; Llombart Juan, N.; Neto, A.; Gerini, G.; Maci, S.
2004-01-01
A general algorithm for the analysis of microstrip coupled leaky wave slot antennas was discussed. The method was based on the construction of physically appealing entire domain Methods of Moments (MoM) basis function that allowed a consistent reduction of the number of unknowns and of total
The fractional coupled KdV equations: Exact solutions and white noise functional approach
International Nuclear Information System (INIS)
Ghany, Hossam A.; El Bab, A. S. Okb; Zabel, A. M.; Hyder, Abd-Allah
2013-01-01
Variable coefficients and Wick-type stochastic fractional coupled KdV equations are investigated. By using the modified fractional sub-equation method, Hermite transform, and white noise theory the exact travelling wave solutions and white noise functional solutions are obtained, including the generalized exponential, hyperbolic, and trigonometric types. (general)
Radial Basis Function Networks for Conversion of Sound Spectra
Directory of Open Access Journals (Sweden)
Carlo Drioli
2001-03-01
Full Text Available In many advanced signal processing tasks, such as pitch shifting, voice conversion or sound synthesis, accurate spectral processing is required. Here, the use of Radial Basis Function Networks (RBFN is proposed for the modeling of the spectral changes (or conversions related to the control of important sound parameters, such as pitch or intensity. The identification of such conversion functions is based on a procedure which learns the shape of the conversion from few couples of target spectra from a data set. The generalization properties of RBFNs provides for interpolation with respect to the pitch range. In the construction of the training set, mel-cepstral encoding of the spectrum is used to catch the perceptually most relevant spectral changes. Moreover, a singular value decomposition (SVD approach is used to reduce the dimension of conversion functions. The RBFN conversion functions introduced are characterized by a perceptually-based fast training procedure, desirable interpolation properties and computational efficiency.
Directory of Open Access Journals (Sweden)
Bibian Martínez Campos
2012-03-01
Full Text Available Los cangrejos ermitaños son un grupo representativo de la fauna marina del Caribe colombiano, además, son importantes en el mantenimiento del equilibrio dinámico, en los ecosistemas por sus interacciones ecológicas y también por el impacto en la estabilidad de las redes tróficas. Sus patrones de distribución se identificaron mediante análisis multivariados de clasificación y ordenación espacial, se usaron registros históricos desde 1916 hasta el 2006. Los resultados indican diferencias por profundidad entre la fauna costera y la del talud continental y diferencias en la distribución latitudinal, en donde se encontraron tres grupos: Noreste, Centro y Suroeste, sustentados por diferencias en la composición faunística. Con base en los mapas de ecosistemas marinos de Colombia, se determinó que los principales factores que afectan su distribución son la influencia del talud Caribaná (profundidad, la temperatura de las masas de agua, las praderas de pastos marinos de la Guajira y las condiciones particulares de las ecorregiones Archipiélagos coralinos y Darién. Se identificó la distribución mundial de las especies colombianas y su afinidad geográfica, y se encontró mayor afinidad con el Atlántico norte y las Antillas que con el Atlántico sur y el Golfo de México, asimismo, las subprovincias geográficas que incluyen a Colombia son zonas de transición dentro de la subprovincias septentrionales y australes del Gran CaribeHermit crabs (Anomura: Paguroidea distribution patterns in the Colombian Caribbean Sea. Hermit crabs represent the marine life in the Colombian Caribbean, and are important for the dynamic equilibrium maintenance in ecosystems, the ecological interactions and their impact on food web stability. Generally, in order to come up with some conservation strategies, strong bio-geographical information is needed for policies definition. With this aim, this study analyzed the distribution patterns of hermit crabs in
Optimal choice of basis functions in the linear regression analysis
International Nuclear Information System (INIS)
Khotinskij, A.M.
1988-01-01
Problem of optimal choice of basis functions in the linear regression analysis is investigated. Step algorithm with estimation of its efficiency, which holds true at finite number of measurements, is suggested. Conditions, providing the probability of correct choice close to 1 are formulated. Application of the step algorithm to analysis of decay curves is substantiated. 8 refs
Application of the Characteristic Basis Function Method Using CUDA
Directory of Open Access Journals (Sweden)
Juan Ignacio Pérez
2014-01-01
Full Text Available The characteristic basis function method (CBFM is a popular technique for efficiently solving the method of moments (MoM matrix equations. In this work, we address the adaptation of this method to a relatively new computing infrastructure provided by NVIDIA, the Compute Unified Device Architecture (CUDA, and take into account some of the limitations which appear when the geometry under analysis becomes too big to fit into the Graphics Processing Unit’s (GPU’s memory.
International Nuclear Information System (INIS)
Nanayakkara, Asiri
2005-01-01
The pseudo Hermiticity with respect to the exchange operators of N-D complex Hamiltonians is investigated. It is shown that if an N-D Hamiltonian is pseudo Hermitian and any eigenfunction of it retains π α T symmetry then the corresponding eigen value is real, where π α is an exchange operator with respect to the permutation α of coordinates and T is the time reversal operator. We construct a special class of N-D pseudo Hermitian Hamiltonians with respect to exchange operators from both N/2-D and N-D general complex Hamiltonians. Examples are presented for Hamiltonians with πT symmetry (π:x↔y, p x ↔p y ) and the reality of these systems are investigated.
Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman
2008-04-24
We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results
New Method for Mesh Moving Based on Radial Basis Function Interpolation
De Boer, A.; Van der Schoot, M.S.; Bijl, H.
2006-01-01
A new point-by-point mesh movement algorithm is developed for the deformation of unstructured grids. The method is based on using radial basis function, RBFs, to interpolate the displacements of the boundary nodes to the whole flow mesh. A small system of equations has to be solved, only involving
International Nuclear Information System (INIS)
Lin Lin; Lu Jianfeng; Ying Lexing; Weinan, E
2012-01-01
Kohn–Sham density functional theory is one of the most widely used electronic structure theories. In the pseudopotential framework, uniform discretization of the Kohn–Sham Hamiltonian generally results in a large number of basis functions per atom in order to resolve the rapid oscillations of the Kohn–Sham orbitals around the nuclei. Previous attempts to reduce the number of basis functions per atom include the usage of atomic orbitals and similar objects, but the atomic orbitals generally require fine tuning in order to reach high accuracy. We present a novel discretization scheme that adaptively and systematically builds the rapid oscillations of the Kohn–Sham orbitals around the nuclei as well as environmental effects into the basis functions. The resulting basis functions are localized in the real space, and are discontinuous in the global domain. The continuous Kohn–Sham orbitals and the electron density are evaluated from the discontinuous basis functions using the discontinuous Galerkin (DG) framework. Our method is implemented in parallel and the current implementation is able to handle systems with at least thousands of atoms. Numerical examples indicate that our method can reach very high accuracy (less than 1 meV) with a very small number (4–40) of basis functions per atom.
Practical auxiliary basis implementation of Rung 3.5 functionals
International Nuclear Information System (INIS)
Janesko, Benjamin G.; Scalmani, Giovanni; Frisch, Michael J.
2014-01-01
Approximate exchange-correlation functionals for Kohn-Sham density functional theory often benefit from incorporating exact exchange. Exact exchange is constructed from the noninteracting reference system's nonlocal one-particle density matrix γ(r -vector ,r -vector ′). Rung 3.5 functionals attempt to balance the strengths and limitations of exact exchange using a new ingredient, a projection of γ(r -vector ,r -vector ′) onto a semilocal model density matrix γ SL (ρ(r -vector ),∇ρ(r -vector ),r -vector −r -vector ′). γ SL depends on the electron density ρ(r -vector ) at reference point r -vector , and is closely related to semilocal model exchange holes. We present a practical implementation of Rung 3.5 functionals, expanding the r -vector −r -vector ′ dependence of γ SL in an auxiliary basis set. Energies and energy derivatives are obtained from 3D numerical integration as in standard semilocal functionals. We also present numerical tests of a range of properties, including molecular thermochemistry and kinetics, geometries and vibrational frequencies, and bandgaps and excitation energies. Rung 3.5 functionals typically provide accuracy intermediate between semilocal and hybrid approximations. Nonlocal potential contributions from γ SL yield interesting successes and failures for band structures and excitation energies. The results enable and motivate continued exploration of Rung 3.5 functional forms
Briffa, Mark; Rundle, Simon D; Fryer, Adam
2008-06-07
Many phenotypic traits show plasticity but behaviour is often considered the 'most plastic' aspect of phenotype as it is likely to show the quickest response to temporal changes in conditions or 'situation'. However, it has also been noted that constraints on sensory acuity, cognitive structure and physiological capacities place limits on behavioural plasticity. Such limits to plasticity may generate consistent differences in behaviour between individuals from the same population. It has recently been suggested that these consistent differences in individual behaviour may be adaptive and the term 'animal personalities' has been used to describe them. In many cases, however, a degree of both behavioural plasticity and relative consistency is probable. To understand the possible functions of animal personalities, it is necessary to determine the relative strength of each tendency and this may be achieved by comparison of statistical effect sizes for tests of difference and concordance. Here, we describe a new statistical framework for making such comparisons and investigate cross-situational plasticity and consistency in the duration of startle responses in the European hermit crab Pagurus bernhardus, in the field and the laboratory. The effect sizes of tests for behavioural consistency were greater than for tests of behavioural plasticity, indicating for the first time the presence of animal personalities in a crustacean model.
Mathematical model of geometry and fibrous structure of the heart.
Nielsen, P M; Le Grice, I J; Smaill, B H; Hunter, P J
1991-04-01
We developed a mathematical representation of ventricular geometry and muscle fiber organization using three-dimensional finite elements referred to a prolate spheroid coordinate system. Within elements, fields are approximated using basis functions with associated parameters defined at the element nodes. Four parameters per node are used to describe ventricular geometry. The radial coordinate is interpolated using cubic Hermite basis functions that preserve slope continuity, while the angular coordinates are interpolated linearly. Two further nodal parameters describe the orientation of myocardial fibers. The orientation of fibers within coordinate planes bounded by epicardial and endocardial surfaces is interpolated linearly, with transmural variation given by cubic Hermite basis functions. Left and right ventricular geometry and myocardial fiber orientations were characterized for a canine heart arrested in diastole and fixed at zero transmural pressure. The geometry was represented by a 24-element ensemble with 41 nodes. Nodal parameters fitted using least squares provided a realistic description of ventricular epicardial [root mean square (RMS) error less than 0.9 mm] and endocardial (RMS error less than 2.6 mm) surfaces. Measured fiber fields were also fitted (RMS error less than 17 degrees) with a 60-element, 99-node mesh obtained by subdividing the 24-element mesh. These methods provide a compact and accurate anatomic description of the ventricles suitable for use in finite element stress analysis, simulation of cardiac electrical activation, and other cardiac field modeling problems.
Yurchenko, Sergei N; Yachmenev, Andrey; Ovsyannikov, Roman I
2017-09-12
We present a general, numerically motivated approach to the construction of symmetry-adapted basis functions for solving ro-vibrational Schrödinger equations. The approach is based on the property of the Hamiltonian operator to commute with the complete set of symmetry operators and, hence, to reflect the symmetry of the system. The symmetry-adapted ro-vibrational basis set is constructed numerically by solving a set of reduced vibrational eigenvalue problems. In order to assign the irreducible representations associated with these eigenfunctions, their symmetry properties are probed on a grid of molecular geometries with the corresponding symmetry operations. The transformation matrices are reconstructed by solving overdetermined systems of linear equations related to the transformation properties of the corresponding wave functions on the grid. Our method is implemented in the variational approach TROVE and has been successfully applied to many problems covering the most important molecular symmetry groups. Several examples are used to illustrate the procedure, which can be easily applied to different types of coordinates, basis sets, and molecular systems.
International Nuclear Information System (INIS)
Kotasidis, Fotis A.; Zaidi, Habib
2014-01-01
Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailed investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis function
Energy Technology Data Exchange (ETDEWEB)
Kotasidis, Fotis A., E-mail: Fotis.Kotasidis@unige.ch [Division of Nuclear Medicine and Molecular Imaging, Geneva University Hospital, CH-1211 Geneva, Switzerland and Wolfson Molecular Imaging Centre, MAHSC, University of Manchester, Manchester M20 3LJ (United Kingdom); Zaidi, Habib [Division of Nuclear Medicine and Molecular Imaging, Geneva University Hospital, CH-1211 Geneva (Switzerland); Geneva Neuroscience Centre, Geneva University, CH-1205 Geneva (Switzerland); Department of Nuclear Medicine and Molecular Imaging, University of Groningen, University Medical Center Groningen, Groningen, 9700 RB (Netherlands)
2014-06-15
Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailed investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis
Leclerc, Arnaud; Thomas, Phillip S.; Carrington, Tucker
2017-08-01
Vibrational spectra and wavefunctions of polyatomic molecules can be calculated at low memory cost using low-rank sum-of-product (SOP) decompositions to represent basis functions generated using an iterative eigensolver. Using a SOP tensor format does not determine the iterative eigensolver. The choice of the interative eigensolver is limited by the need to restrict the rank of the SOP basis functions at every stage of the calculation. We have adapted, implemented and compared different reduced-rank algorithms based on standard iterative methods (block-Davidson algorithm, Chebyshev iteration) to calculate vibrational energy levels and wavefunctions of the 12-dimensional acetonitrile molecule. The effect of using low-rank SOP basis functions on the different methods is analysed and the numerical results are compared with those obtained with the reduced rank block power method. Relative merits of the different algorithms are presented, showing that the advantage of using a more sophisticated method, although mitigated by the use of reduced-rank SOP functions, is noticeable in terms of CPU time.
Hermite regularization of the lattice Boltzmann method for open source computational aeroacoustics.
Brogi, F; Malaspinas, O; Chopard, B; Bonadonna, C
2017-10-01
The lattice Boltzmann method (LBM) is emerging as a powerful engineering tool for aeroacoustic computations. However, the LBM has been shown to present accuracy and stability issues in the medium-low Mach number range, which is of interest for aeroacoustic applications. Several solutions have been proposed but are often too computationally expensive, do not retain the simplicity and the advantages typical of the LBM, or are not described well enough to be usable by the community due to proprietary software policies. An original regularized collision operator is proposed, based on the expansion of Hermite polynomials, that greatly improves the accuracy and stability of the LBM without significantly altering its algorithm. The regularized LBM can be easily coupled with both non-reflective boundary conditions and a multi-level grid strategy, essential ingredients for aeroacoustic simulations. Excellent agreement was found between this approach and both experimental and numerical data on two different benchmarks: the laminar, unsteady flow past a 2D cylinder and the 3D turbulent jet. Finally, most of the aeroacoustic computations with LBM have been done with commercial software, while here the entire theoretical framework is implemented using an open source library (palabos).
Computing single step operators of logic programming in radial basis function neural networks
Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong
2014-07-01
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (Tp:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.
Computing single step operators of logic programming in radial basis function neural networks
Energy Technology Data Exchange (ETDEWEB)
Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong [School of Mathematical Sciences, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia)
2014-07-10
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T{sub p}:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.
Computing single step operators of logic programming in radial basis function neural networks
International Nuclear Information System (INIS)
Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong
2014-01-01
Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T p :I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks
Plumley, Joshua A.; Dannenberg, J. J.
2011-01-01
We evaluate the performance of nine functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-DFT molecular orbital calculations and to experimenta...
Method of applying single higher order polynomial basis function over multiple domains
CSIR Research Space (South Africa)
Lysko, AA
2010-03-01
Full Text Available A novel method has been devised where one set of higher order polynomial-based basis functions can be applied over several wire segments, thus permitting to decouple the number of unknowns from the number of segments, and so from the geometrical...
Kyper, Nicholas D.
An extensive heat flux study is performed at Hermit Lake, New Hampshire from May 26, 2010 till November 7, 2010 to determine the effects of the five individual heat fluxes on Hermit Lake and the surrounding amphibian community. Hermit Lake was chosen due to the relatively long meteorological observations record within the White Mountains of New Hampshire, a new lakeside meteorological station, and ongoing phenology studies of the surrounding eco-system. Utilizing meteorological data from the lakeside weather station and moored water temperature sensors, the incident (Qi), blackbody ( Qbnet ), latent (Qe), sensible (Q s), and net (Qn) heat fluxes are calculated. The incident heat flux is the dominate term in the net flux, accounting for 93% of the variance found in Qn and producing a heat gain of ˜ 19x108 J m-2 throughout the period of study. This large gain produces a net gain of heat in the lake until October 1, 2010, where gains by Qi are offset by the large combined losses of Qbnet , Qs, and Qe thereby producing a gradual decline of heat within the lake. The latent and blackbody heat fluxes produce the largest losses of heat in the net heat flux with a total losses of ˜ -8x108 J m-2 and ˜ -7x108 J m-2, respectively. The sensible heat flux is negligible, producing a total minimal loss of ˜ -1x108 J m-2. Overall the net heat produces a net gain of heat of 2x108 J m-2 throughout the study period. Frog calls indicative of breeding are recorded from May 26, 2010 until August 16, 2010. The spring peeper, American toad, and green frog each produced enough actively calling days to be compared to air temperature, surface water temperature, and wind speed data, as well as data from the five heat fluxes. Linear regression analysis reveals that certain water temperature thresholds affect the calling activities of the spring peeper and green frog, while higher wind speeds have a dramatic effect on the calling activities of both the green frog and American toad. All three
DEFF Research Database (Denmark)
Kim, Oleksiy S.; Jørgensen, Erik; Meincke, Peter
2004-01-01
An efficient higher-order method of moments (MoM) solution of volume integral equations is presented. The higher-order MoM solution is based on higher-order hierarchical Legendre basis functions and higher-order geometry modeling. An unstructured mesh composed of 8-node trilinear and/or curved 27...... of magnitude in comparison to existing higher-order hierarchical basis functions. Consequently, an iterative solver can be applied even for high expansion orders. Numerical results demonstrate excellent agreement with the analytical Mie series solution for a dielectric sphere as well as with results obtained...
An enhanced radial basis function network for short-term electricity price forecasting
International Nuclear Information System (INIS)
Lin, Whei-Min; Gow, Hong-Jey; Tsai, Ming-Tang
2010-01-01
This paper proposed a price forecasting system for electric market participants to reduce the risk of price volatility. Combining the Radial Basis Function Network (RBFN) and Orthogonal Experimental Design (OED), an Enhanced Radial Basis Function Network (ERBFN) has been proposed for the solving process. The Locational Marginal Price (LMP), system load, transmission flow and temperature of the PJM system were collected and the data clusters were embedded in the Excel Database according to the year, season, workday and weekend. With the OED applied to learning rates in the ERBFN, the forecasting error can be reduced during the training process to improve both accuracy and reliability. This would mean that even the ''spikes'' could be tracked closely. The Back-propagation Neural Network (BPN), Probability Neural Network (PNN), other algorithms, and the proposed ERBFN were all developed and compared to check the performance. Simulation results demonstrated the effectiveness of the proposed ERBFN to provide quality information in a price volatile environment. (author)
International Nuclear Information System (INIS)
Athanasakis, I E; Papadopoulou, E P; Saridakis, Y G
2014-01-01
Fisher's equation has been widely used to model the biological invasion of single-species communities in homogeneous one dimensional habitats. In this study we develop high order numerical methods to accurately capture the spatiotemporal dynamics of the generalized Fisher equation, a nonlinear reaction-diffusion equation characterized by density dependent non-linear diffusion. Working towards this direction we consider strong stability preserving Runge-Kutta (RK) temporal discretization schemes coupled with the Hermite cubic Collocation (HC) spatial discretization method. We investigate their convergence and stability properties to reveal efficient HC-RK pairs for the numerical treatment of the generalized Fisher equation. The Hadamard product is used to characterize the collocation discretized non linear equation terms as a first step for the treatment of generalized systems of relevant equations. Numerical experimentation is included to demonstrate the performance of the methods
Feller, David; Dixon, David A
2018-03-08
Two recent papers in this journal called into question the suitability of the correlation consistent basis sets for density functional theory (DFT) calculations, because the sets were designed for correlated methods such as configuration interaction, perturbation theory, and coupled cluster theory. These papers focused on the ability of the correlation consistent and other basis sets to reproduce total energies, atomization energies, and dipole moments obtained from "quasi-exact" multiwavelet results. Undesirably large errors were observed for the correlation consistent basis sets. One of the papers argued that basis sets specifically optimized for DFT methods were "essential" for obtaining high accuracy. In this work we re-examined the performance of the correlation consistent basis sets by resolving problems with the previous calculations and by making more appropriate basis set choices for the alkali and alkaline-earth metals and second-row elements. When this is done, the statistical errors with respect to the benchmark values and with respect to DFT optimized basis sets are greatly reduced, especially in light of the relatively large intrinsic error of the underlying DFT method. When judged with respect to high-quality Feller-Peterson-Dixon coupled cluster theory atomization energies, the PBE0 DFT method used in the previous studies exhibits a mean absolute deviation more than a factor of 50 larger than the quintuple zeta basis set truncation error.
Functional limit theorems for generalized variations of the fractional Brownian sheet
DEFF Research Database (Denmark)
Pakkanen, Mikko; Réveillac, Anthony
and on the smallest component of the Hurst parameter vector of the fBs. The limiting process in the former result is another fBs, independent of the original fBs, whereas the limit given by the latter result is an Hermite sheet, which is driven by the same white noise as the original fBs. As an application, we derive...... functional limit theorems for power variations of the fBs and discuss what is a proper way to interpolate them to ensure functional convergence....
Functional limit theorems for generalized variations of the fractional Brownian sheet
DEFF Research Database (Denmark)
Pakkanen, Mikko; Réveillac, Anthony
2016-01-01
and on the smallest component of the Hurst parameter vector of the fBs. The limiting process in the former result is another fBs, independent of the original fBs, whereas the limit given by the latter result is an Hermite sheet, which is driven by the same white noise as the original fBs. As an application, we derive...... functional limit theorems for power variations of the fBs and discuss what is a proper way to interpolate them to ensure functional convergence....
Functional imaging in oncology. Biophysical basis and technical approaches. Vol. 1
Energy Technology Data Exchange (ETDEWEB)
Luna, Antonio [Health Time Group, Jaen (Spain); University Hospitals, Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Radiology; Vilanova, Joan C. [Clinica Girona - Hospital Sta. Caterina, Girona (Spain); Hygino da Cruz, L. Celso Jr. [CDPI and IRM, Rio de Janeiro, RJ (Brazil). Dept. of Radiology; Rossi, Santiago E. (ed.) [Centro de Diagnostico, Buenos Aires (Argentina)
2014-07-01
Easy-to-read manual on new functional imaging techniques in oncology. Explains current clinical applications and outlines future avenues. Includes numerous high-quality illustrations to highlight the major teaching points. In the new era of functional and molecular imaging, both currently available imaging biomarkers and biomarkers under development are expected to lead to major changes in the management of oncological patients. This well-illustrated two-volume book is a practical manual on the various imaging techniques capable of delivering functional information on cancer, including preclinical and clinical imaging techniques, based on US, CT, MRI, PET and hybrid modalities. This first volume explains the biophysical basis for these functional imaging techniques and describes the techniques themselves. Detailed information is provided on the imaging of cancer hallmarks, including angiogenesis, tumor metabolism, and hypoxia. The techniques and their roles are then discussed individually, covering the full range of modalities in clinical use as well as new molecular and functional techniques. The value of a multiparametric approach is also carefully considered.
Functional imaging in oncology. Biophysical basis and technical approaches. Vol. 1
International Nuclear Information System (INIS)
Luna, Antonio; Hygino da Cruz, L. Celso Jr.
2014-01-01
Easy-to-read manual on new functional imaging techniques in oncology. Explains current clinical applications and outlines future avenues. Includes numerous high-quality illustrations to highlight the major teaching points. In the new era of functional and molecular imaging, both currently available imaging biomarkers and biomarkers under development are expected to lead to major changes in the management of oncological patients. This well-illustrated two-volume book is a practical manual on the various imaging techniques capable of delivering functional information on cancer, including preclinical and clinical imaging techniques, based on US, CT, MRI, PET and hybrid modalities. This first volume explains the biophysical basis for these functional imaging techniques and describes the techniques themselves. Detailed information is provided on the imaging of cancer hallmarks, including angiogenesis, tumor metabolism, and hypoxia. The techniques and their roles are then discussed individually, covering the full range of modalities in clinical use as well as new molecular and functional techniques. The value of a multiparametric approach is also carefully considered.
An Unconditionally Stable Method for Solving the Acoustic Wave Equation
Directory of Open Access Journals (Sweden)
Zhi-Kai Fu
2015-01-01
Full Text Available An unconditionally stable method for solving the time-domain acoustic wave equation using Associated Hermit orthogonal functions is proposed. The second-order time derivatives in acoustic wave equation are expanded by these orthogonal basis functions. By applying Galerkin temporal testing procedure, the time variable can be eliminated from the calculations. The restriction of Courant-Friedrichs-Levy (CFL condition in selecting time step for analyzing thin layer can be avoided. Numerical results show the accuracy and the efficiency of the proposed method.
Molecular basis of the functional heterogeneity of the muscarinic acetylcholine receptor
International Nuclear Information System (INIS)
Numa, S.; Fukuda, K.; Kubo, T.; Maeda, A.; Akiba, I.; Bujo, H.; Nakai, J.; Mishina, M.; Higashida, H.
1988-01-01
The muscarinic acetylcholine receptor (mAChR) mediates a variety of cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides, and modulation of potassium channels, through the action of guanine-nucleotide-binding regulatory proteins (G proteins). The question then arises as to whether multiple mAChR species exist that are responsible for the various biochemical and physiological effects. In fact, pharmacologically distinguishable forms of the mAChR occur in different tissues and have been provisionally classified into M 1 (I), M 2 cardiac (II), and M 2 glandular (III) subtypes on the basis of their difference in apparent affinity for antagonists. Here, the authors have made attempts to understand the molecular basis of the functional heterogeneity of the mAChR, using recombinant DNA technology
Valkunde, Amol T.; Patil, Sandip D.; Vhanmore, Bandopant D.; Urunkar, Trupti U.; Gavade, Kusum M.; Takale, Mansing V.; Fulari, Vijay J.
2018-03-01
In the present paper, an analytically investigated domain of decentered parameter and its effect on the self-focusing of Hermit-cosh-Gaussian (HChG) laser beams in a collisional plasma have been studied theoretically. The nonlinearity in the dielectric constant of plasma arising due to the nonuniform heating of carriers along the wavefront of the laser beam has been employed in the present investigation. The nonlinear differential equation of beam width parameter for various laser modes of HChG beam is obtained by following the standard Akhamanov's parabolic equation approach under Wentzel-Kramers-Brillouin and paraxial approximations. The analytical treatment has enabled us to define three distinct regions: self-focusing, self-trapping and defocusing, which are presented graphically.
International Nuclear Information System (INIS)
Kollmar, Christian; Neese, Frank
2014-01-01
The role of the static Kohn-Sham (KS) response function describing the response of the electron density to a change of the local KS potential is discussed in both the theory of the optimized effective potential (OEP) and the so-called inverse Kohn-Sham problem involving the task to find the local KS potential for a given electron density. In a general discussion of the integral equation to be solved in both cases, it is argued that a unique solution of this equation can be found even in case of finite atomic orbital basis sets. It is shown how a matrix representation of the response function can be obtained if the exchange-correlation potential is expanded in terms of a Schmidt-orthogonalized basis comprising orbitals products of occupied and virtual orbitals. The viability of this approach in both OEP theory and the inverse KS problem is illustrated by numerical examples
DEFF Research Database (Denmark)
Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide
. This results in a decreased number of single point calculations required during the potential construction. Especially the Morse-like fit-basis functions are of interest, when combined with rectilinear hybrid optimized and localized coordinates (HOLCs), which can be generated as orthogonal transformations......The overall shape of a molecular energy surface can be very different for different molecules and different vibrational coordinates. This means that the fit-basis functions used to generate an analytic representation of a potential will be met with different requirements. It is therefore worthwhile...... single point calculations when constructing the molecular potential. We therefore present a uniform framework that can handle general fit-basis functions of any type which are specified on input. This framework is implemented to suit the black-box nature of the ADGA in order to avoid arbitrary choices...
Radial basis function neural network for power system load-flow
International Nuclear Information System (INIS)
Karami, A.; Mohammadi, M.S.
2008-01-01
This paper presents a method for solving the load-flow problem of the electric power systems using radial basis function (RBF) neural network with a fast hybrid training method. The main idea is that some operating conditions (values) are needed to solve the set of non-linear algebraic equations of load-flow by employing an iterative numerical technique. Therefore, we may view the outputs of a load-flow program as functions of the operating conditions. Indeed, we are faced with a function approximation problem and this can be done by an RBF neural network. The proposed approach has been successfully applied to the 10-machine and 39-bus New England test system. In addition, this method has been compared with that of a multi-layer perceptron (MLP) neural network model. The simulation results show that the RBF neural network is a simpler method to implement and requires less training time to converge than the MLP neural network. (author)
International Nuclear Information System (INIS)
Choi, Sunghwan; Hong, Kwangwoo; Kim, Jaewook; Kim, Woo Youn
2015-01-01
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 to 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
Institute of Scientific and Technical Information of China (English)
ZHENG Guangguo; ZHOU Dongsheng; WEI Xiaopeng; ZHANG Qiang
2012-01-01
Compactly supported radial basis function can enable the coefficient matrix of solving weigh linear system to have a sparse banded structure, thereby reducing the complexity of the algorithm. Firstly, based on the compactly supported radial basis function, the paper makes the complex quadratic function （Multiquadric, MQ for short） to be transformed and proposes a class of compactly supported MQ function. Secondly, the paper describes a method that interpolates discrete motion capture data to solve the motion vectors of the interpolation points and they are used in facial expression reconstruction. Finally, according to this characteris- tic of the uneven distribution of the face markers, the markers are numbered and grouped in accordance with the density level, and then be interpolated in line with each group. The approach not only ensures the accuracy of the deformation of face local area and smoothness, but also reduces the time complexity of computing.
Directory of Open Access Journals (Sweden)
Yunfeng Wu
2014-01-01
Full Text Available This paper presents a novel adaptive linear and normalized combination (ALNC method that can be used to combine the component radial basis function networks (RBFNs to implement better function approximation and regression tasks. The optimization of the fusion weights is obtained by solving a constrained quadratic programming problem. According to the instantaneous errors generated by the component RBFNs, the ALNC is able to perform the selective ensemble of multiple leaners by adaptively adjusting the fusion weights from one instance to another. The results of the experiments on eight synthetic function approximation and six benchmark regression data sets show that the ALNC method can effectively help the ensemble system achieve a higher accuracy (measured in terms of mean-squared error and the better fidelity (characterized by normalized correlation coefficient of approximation, in relation to the popular simple average, weighted average, and the Bagging methods.
Scattering of aerosol particles by a Hermite-Gaussian beam in marine atmosphere.
Huang, Qingqing; Cheng, Mingjian; Guo, Lixin; Li, Jiangting; Yan, Xu; Liu, Songhua
2017-07-01
Based on the complex-source-point method and the generalized Lorenz-Mie theory, the scattering properties and polarization of aerosol particles by a Hermite-Gaussian (HG) beam in marine atmosphere is investigated. The influences of beam mode, beam width, and humidity on the scattered field are analyzed numerically. Results indicate that when the number of HG beam modes u (v) increase, the radar cross section of aerosol particles alternating appears at maximum and minimum values in the forward and backward scattering, respectively, because of the special petal-shaped distribution of the HG beam. The forward and backward scattering of aerosol particles decreases with the increase in beam waist. When beam waist is less than the radius of the aerosol particle, a minimum value is observed in the forward direction. The scattering properties of aerosol particles by the HG beam are more sensitive to the change in relative humidity compared with those by the plane wave and the Gaussian beam (GB). The HG beam shows superiority over the plane wave and the GB in detecting changes in the relative humidity of marine atmosphere aerosol. The effects of relative humidity on the polarization of the HG beam have been numerically analyzed in detail.
Adaptive radial basis function mesh deformation using data reduction
Gillebaart, T.; Blom, D. S.; van Zuijlen, A. H.; Bijl, H.
2016-09-01
Radial Basis Function (RBF) mesh deformation is one of the most robust mesh deformation methods available. Using the greedy (data reduction) method in combination with an explicit boundary correction, results in an efficient method as shown in literature. However, to ensure the method remains robust, two issues are addressed: 1) how to ensure that the set of control points remains an accurate representation of the geometry in time and 2) how to use/automate the explicit boundary correction, while ensuring a high mesh quality. In this paper, we propose an adaptive RBF mesh deformation method, which ensures the set of control points always represents the geometry/displacement up to a certain (user-specified) criteria, by keeping track of the boundary error throughout the simulation and re-selecting when needed. Opposed to the unit displacement and prescribed displacement selection methods, the adaptive method is more robust, user-independent and efficient, for the cases considered. Secondly, the analysis of a single high aspect ratio cell is used to formulate an equation for the correction radius needed, depending on the characteristics of the correction function used, maximum aspect ratio, minimum first cell height and boundary error. Based on the analysis two new radial basis correction functions are derived and proposed. This proposed automated procedure is verified while varying the correction function, Reynolds number (and thus first cell height and aspect ratio) and boundary error. Finally, the parallel efficiency is studied for the two adaptive methods, unit displacement and prescribed displacement for both the CPU as well as the memory formulation with a 2D oscillating and translating airfoil with oscillating flap, a 3D flexible locally deforming tube and deforming wind turbine blade. Generally, the memory formulation requires less work (due to the large amount of work required for evaluating RBF's), but the parallel efficiency reduces due to the limited
Directory of Open Access Journals (Sweden)
Gilson Stanski
Full Text Available Abstract The goal of this study was to identify patterns of shell occupation by different species of hermit crabs from the southern Brazilian coast. In total, 644 individuals were collected, represented by six hermit species. Isocheles sawayai Forest & Saint Laurent, 1968 showed the highest abundance, with 575 individuals, followed by Loxopagurus loxochelis (Moreira, 1901 (n = 56. The other species were Petrochirus diogenes (Linnaeus, 1758, Dardanus insignis (Saussure, 1858, Pagurus exilis (Benedict, 1892 and Pagurus leptonyx Forest & Saint Laurent, 1968. Loxopagurus loxochelis was found associated with shells of 12 gastropod species, with 75% of males occupying shells of Olivancilaria urceus (Roding, 1798 and 78% of females inhabiting shells of Semicassis granulata (Born, 1778. Shells of Semicassis granulata were the lightest of all gastropod shells, demonstrating differential resource utilization. Additionally, I. sawayai occupied shells of 10 species, highlighting Stramonita haemastoma (Linnaeus, 1767 with the highest occupation percentage in all demographic classes, confirming a pattern of occupation with a strong relationship to the availability of the resource. The comparison of our results with those of other studies corroborated the influence of region and gastropod diversity on gastropod shell occupation.
Fast generation of macro basis functions for LEGO through the adaptive cross approximation
Lancellotti, V.
2015-01-01
We present a method for the fast generation of macro basis functions in the context of the linear embedding via Green's operators approach (LEGO) which is a domain decomposition technique based on the combination of electromagnetic bricks in turn described by means of scattering operators. We show
A metric for the Radial Basis Function Network - Application on Real Radar Data
Heiden, R. van der; Groen, F.C.A.
1996-01-01
A Radial Basis Functions (RBF) network for pattern recognition is considered. Classification with such a network is based on distances between patterns, so a metric is always present. Using real radar data, the Euclidean metric is shown to perform poorly - a metric based on the so called Box-Cox
Delzanno, G. L.
2015-11-01
A spectral method for the numerical solution of the multi-dimensional Vlasov-Maxwell equations is presented. The plasma distribution function is expanded in Fourier (for the spatial part) and Hermite (for the velocity part) basis functions, leading to a truncated system of ordinary differential equations for the expansion coefficients (moments) that is discretized with an implicit, second order accurate Crank-Nicolson time discretization. The discrete non-linear system is solved with a preconditioned Jacobian-Free Newton-Krylov method. It is shown analytically that the Fourier-Hermite method features exact conservation laws for total mass, momentum and energy in discrete form. Standard tests involving plasma waves and the whistler instability confirm the validity of the conservation laws numerically. The whistler instability test also shows that we can step over the fastest time scale in the system without incurring in numerical instabilities. Some preconditioning strategies are presented, showing that the number of linear iterations of the Krylov solver can be drastically reduced and a significant gain in performance can be obtained.
Recent advances in radial basis function collocation methods
Chen, Wen; Chen, C S
2014-01-01
This book surveys the latest advances in radial basis function (RBF) meshless collocation methods which emphasis on recent novel kernel RBFs and new numerical schemes for solving partial differential equations. The RBF collocation methods are inherently free of integration and mesh, and avoid tedious mesh generation involved in standard finite element and boundary element methods. This book focuses primarily on the numerical algorithms, engineering applications, and highlights a large class of novel boundary-type RBF meshless collocation methods. These methods have shown a clear edge over the traditional numerical techniques especially for problems involving infinite domain, moving boundary, thin-walled structures, and inverse problems. Due to the rapid development in RBF meshless collocation methods, there is a need to summarize all these new materials so that they are available to scientists, engineers, and graduate students who are interest to apply these newly developed methods for solving real world’s ...
Time-frequency analysis and harmonic Gaussian functions
International Nuclear Information System (INIS)
Ranaivoson, R.T.R; Raoelina Andriambololona; Hanitriarivo, R.
2013-01-01
A method for time-frequency analysis is given. The approach utilizes properties of Gaussian distribution, properties of Hermite polynomials and Fourier analysis. We begin by the definitions of a set of functions called Harmonic Gaussian Functions. Then these functions are used to define a set of transformations, noted Τ n , which associate to a function ψ, of the time variable t, a set of functions Ψ n which depend on time, frequency and frequency (or time) standard deviation. Some properties of the transformations Τ n and the functions Ψ n are given. It is proved in particular that the square of the modulus of each function Ψ n can be interpreted as a representation of the energy distribution of the signal, represented by the function ψ, in the time-frequency plane for a given value of the frequency (or time) standard deviation. It is also shown that the function ψ can be recovered from the functions Ψ n .
Directory of Open Access Journals (Sweden)
Eyad K Almaita
2017-03-01
Keywords: Energy efficiency, Power quality, Radial basis function, neural networks, adaptive, harmonic. Article History: Received Dec 15, 2016; Received in revised form Feb 2nd 2017; Accepted 13rd 2017; Available online How to Cite This Article: Almaita, E.K and Shawawreh J.Al (2017 Improving Stability and Convergence for Adaptive Radial Basis Function Neural Networks Algorithm (On-Line Harmonics Estimation Application. International Journal of Renewable Energy Develeopment, 6(1, 9-17. http://dx.doi.org/10.14710/ijred.6.1.9-17
A conceptual basis to encode and detect organic functional groups in XML.
Sankar, Punnaivanam; Krief, Alain; Vijayasarathi, Durairaj
2013-06-01
A conceptual basis to define and detect organic functional groups is developed. The basic model of a functional group is termed as a primary functional group and is characterized by a group center composed of one or more group center atoms bonded to terminal atoms and skeletal carbon atoms. The generic group center patterns are identified from the structures of known functional groups. Accordingly, a chemical ontology 'Font' is developed to organize the existing functional groups as well as the new ones to be defined by the chemists. The basic model is extended to accommodate various combinations of primary functional groups as functional group assemblies. A concept of skeletal group is proposed to define the characteristic groups composed of only carbon atoms to be regarded as equivalent to functional groups. The combination of primary functional groups with skeletal groups is categorized as skeletal group assembly. In order to make the model suitable for reaction modeling purpose, a Graphical User Interface (GUI) is developed to define the functional groups and to encode in XML format appropriate to detect them in chemical structures. The system is capable of detecting multiple instances of primary functional groups as well as the overlapping poly-functional groups as the respective assemblies. Copyright © 2013 Elsevier Inc. All rights reserved.
International Nuclear Information System (INIS)
Filippov, G.F.; Ovcharenko, V.I.; Teryoshin, Yu.V.
1980-01-01
For near-magnetic nuclei, the matrix elements of the central exchange nucleon-nucleon interaction potential energy operator between the generating functions of the total basis of the Sn are obtained. The basis states are highest weigt vectorsp(2,R) irreducible representatio of the SO(3) irredicible representation and in addition, have a definite O(A-1) symmetry. The Sp(2,R) basis generating matrix elements simplify essentially the problem of calculating the spectrum of collective excitations of the atomic nucleus over an intrinsic function of definite O(A-1) symmetry
Directory of Open Access Journals (Sweden)
Jian Hu
2016-05-01
Full Text Available Uncertainties, including parametric uncertainties and uncertain nonlinearities, always exist in positioning servo systems driven by a hydraulic actuator, which would degrade their tracking accuracy. In this article, an integrated control scheme, which combines adaptive robust control together with radial basis function neural network–based disturbance observer, is proposed for high-accuracy motion control of hydraulic systems. Not only parametric uncertainties but also uncertain nonlinearities (i.e. nonlinear friction, external disturbances, and/or unmodeled dynamics are taken into consideration in the proposed controller. The above uncertainties are compensated, respectively, by adaptive control and radial basis function neural network, which are ultimately integrated together by applying feedforward compensation technique, in which the global stabilization of the controller is ensured via a robust feedback path. A new kind of parameter and weight adaptation law is designed on the basis of Lyapunov stability theory. Furthermore, the proposed controller obtains an expected steady performance even if modeling uncertainties exist, and extensive simulation results in various working conditions have proven the high performance of the proposed control scheme.
Boverman, Gregory; Miller, Eric L.; Brooks, Dana H.; Fang, Qianqian; Carp, S. A.; Selb, J. J.; Boas, David A.
2007-02-01
In the course of our experiments imaging the compressed breast in conjunction with digital tomosynthesis, we have noted that significant changes in tissue optical properties, on the order of 5%, occur during our imaging protocol. These changes seem to consistent with changes both in total Hemoglobin concentration as well as in oxygen saturation, as was the case for our standalone breast compression study, which made use of reflectance measurements. Simulation experiments show the importance of taking into account the temporal dynamics in the image reconstruction, and demonstrate the possibility of imaging the spatio-temporal dynamics of oxygen saturation and total Hemoglobin in the breast. In the image reconstruction, we make use of spatio-temporal basis functions, specifically a voxel basis for spatial imaging, and a cubic spline basis in time, and we reconstruct the spatio-temporal images using the entire data set simultaneously, making use of both absolute and relative measurements in the cost function. We have modified the sequence of sources used in our imaging acquisition protocol to improve our temporal resolution, and preliminary results are shown for normal subjects.
Reconstruction of Daily Sea Surface Temperature Based on Radial Basis Function Networks
Directory of Open Access Journals (Sweden)
Zhihong Liao
2017-11-01
Full Text Available A radial basis function network (RBFN method is proposed to reconstruct daily Sea surface temperatures (SSTs with limited SST samples. For the purpose of evaluating the SSTs using this method, non-biased SST samples in the Pacific Ocean (10°N–30°N, 115°E–135°E are selected when the tropical storm Hagibis arrived in June 2014, and these SST samples are obtained from the Reynolds optimum interpolation (OI v2 daily 0.25° SST (OISST products according to the distribution of AVHRR L2p SST and in-situ SST data. Furthermore, an improved nearest neighbor cluster (INNC algorithm is designed to search for the optimal hidden knots for RBFNs from both the SST samples and the background fields. Then, the reconstructed SSTs from the RBFN method are compared with the results from the OI method. The statistical results show that the RBFN method has a better performance of reconstructing SST than the OI method in the study, and that the average RMSE is 0.48 °C for the RBFN method, which is quite smaller than the value of 0.69 °C for the OI method. Additionally, the RBFN methods with different basis functions and clustering algorithms are tested, and we discover that the INNC algorithm with multi-quadric function is quite suitable for the RBFN method to reconstruct SSTs when the SST samples are sparsely distributed.
A prediction method for the wax deposition rate based on a radial basis function neural network
Directory of Open Access Journals (Sweden)
Ying Xie
2017-06-01
Full Text Available The radial basis function neural network is a popular supervised learning tool based on machinery learning technology. Its high precision having been proven, the radial basis function neural network has been applied in many areas. The accumulation of deposited materials in the pipeline may lead to the need for increased pumping power, a decreased flow rate or even to the total blockage of the line, with losses of production and capital investment, so research on predicting the wax deposition rate is significant for the safe and economical operation of an oil pipeline. This paper adopts the radial basis function neural network to predict the wax deposition rate by considering four main influencing factors, the pipe wall temperature gradient, pipe wall wax crystal solubility coefficient, pipe wall shear stress and crude oil viscosity, by the gray correlational analysis method. MATLAB software is employed to establish the RBF neural network. Compared with the previous literature, favorable consistency exists between the predicted outcomes and the experimental results, with a relative error of 1.5%. It can be concluded that the prediction method of wax deposition rate based on the RBF neural network is feasible.
Do terrestrial hermit crabs sniff? Air flow and odorant capture by flicking antennules.
Waldrop, Lindsay D; Koehl, M A R
2016-01-01
Capture of odorant molecules by olfactory organs from the surrounding fluid is the first step of smelling. Sniffing intermittently moves fluid across sensory surfaces, increasing delivery rates of molecules to chemosensory receptors and providing discrete odour samples. Aquatic malacostracan crustaceans sniff by flicking olfactory antennules bearing arrays of chemosensory hairs (aesthetascs), capturing water in the arrays during downstroke and holding the sample during return stroke. Terrestrial malacostracans also flick antennules, but how their flicking affects odour capture from air is not understood. The terrestrial hermit crab, Coenobita rugosus, uses antennules bearing shingle-shaped aesthetascs to capture odours. We used particle image velocimetry to measure fine-scale fluid flow relative to a dynamically scaled physical model of a flicking antennule, and computational simulations to calculate diffusion to aesthetascs by odorant molecules carried in that flow. Air does not flow into the aesthetasc array during flick downstrokes or recovery strokes. Odorants are captured from air flowing around the outside of the array during flick downstrokes, when aesthetascs face upstream and molecule capture rates are 21% higher than for stationary antennules. Bursts of flicking followed by pauses deliver discrete odour samples to olfactory sensors, causing intermittency in odour capture by a different mechanism than aquatic crustaceans use. © 2016 The Author(s).
Generation of Optimal Basis Functions for Reconstruction of Power Distribution
Energy Technology Data Exchange (ETDEWEB)
Park, Moonghu [Sejong Univ., Seoul (Korea, Republic of)
2014-05-15
This study proposes GMDH to find not only the best functional form but also the optimal parameters those describe the power distribution most accurately. A total of 1,060 cases of axially 1-dimensional core power distributions of 20-nodes are generated by 3-dimensional core analysis code covering BOL to EOL core burnup histories to validate the method. Axially five-point box powers at in-core detectors are considered as measurements. The reconstructed axial power shapes using GMDH method are compared to the reference power shapes. The results show that the proposed method is very robust and accurate compared with spline fitting method. It is shown that the GMDH analysis can give optimal basis functions for core power shape reconstruction. The in-core measurements are the 5 detector snapshots and the 20-node power distribution is successfully reconstructed. The effectiveness of the method is demonstrated by comparing the results of spline fitting for BOL, saddle and top-skewed power shapes.
KARHUNEN-LOÈVE Basis Functions of Kolmogorov Turbulence in the Sphere
Mathar, Richard J.
In support of modeling atmospheric turbulence, the statistically independent Karhunen-Loève modes of refractive indices with isotropic Kolmogorov spectrum of the covariance are calculated inside a sphere of fixed radius, rendered as series of 3D Zernike functions. Many of the symmetry arguments of the well-known associated 2D problem for the circular input pupil remain valid. The technique of efficient diagonalization of the eigenvalue problem in wavenumber space is founded on the Fourier representation of the 3D Zernike basis, and extensible to the von-Kármán power spectrum.
Machine learning (ML)-guided OPC using basis functions of polar Fourier transform
Choi, Suhyeong; Shim, Seongbo; Shin, Youngsoo
2016-03-01
With shrinking feature size, runtime has become a limitation of model-based OPC (MB-OPC). A few machine learning-guided OPC (ML-OPC) have been studied as candidates for next-generation OPC, but they all employ too many parameters (e.g. local densities), which set their own limitations. We propose to use basis functions of polar Fourier transform (PFT) as parameters of ML-OPC. Since PFT functions are orthogonal each other and well reflect light phenomena, the number of parameters can significantly be reduced without loss of OPC accuracy. Experiments demonstrate that our new ML-OPC achieves 80% reduction in OPC time and 35% reduction in the error of predicted mask bias when compared to conventional ML-OPC.
Rational quadratic trigonometric Bézier curve based on new basis with exponential functions
Directory of Open Access Journals (Sweden)
Wu Beibei
2017-06-01
Full Text Available We construct a rational quadratic trigonometric Bézier curve with four shape parameters by introducing two exponential functions into the trigonometric basis functions in this paper. It has the similar properties as the rational quadratic Bézier curve. For given control points, the shape of the curve can be flexibly adjusted by changing the shape parameters and the weight. Some conics can be exactly represented when the control points, the shape parameters and the weight are chosen appropriately. The C0, C1 and C2 continuous conditions for joining two constructed curves are discussed. Some examples are given.
Parallel Fixed Point Implementation of a Radial Basis Function Network in an FPGA
Directory of Open Access Journals (Sweden)
Alisson C. D. de Souza
2014-09-01
Full Text Available This paper proposes a parallel fixed point radial basis function (RBF artificial neural network (ANN, implemented in a field programmable gate array (FPGA trained online with a least mean square (LMS algorithm. The processing time and occupied area were analyzed for various fixed point formats. The problems of precision of the ANN response for nonlinear classification using the XOR gate and interpolation using the sine function were also analyzed in a hardware implementation. The entire project was developed using the System Generator platform (Xilinx, with a Virtex-6 xc6vcx240t-1ff1156 as the target FPGA.
Wang, Feng; Pang, Wenning; Duffy, Patrick
2012-12-01
Performance of a number of commonly used density functional methods in chemistry (B3LYP, Bhandh, BP86, PW91, VWN, LB94, PBe0, SAOP and X3LYP and the Hartree-Fock (HF) method) has been assessed using orbital momentum distributions of the 7σ orbital of nitrous oxide (NNO), which models electron behaviour in a chemically significant region. The density functional methods are combined with a number of Gaussian basis sets (Pople's 6-31G*, 6-311G**, DGauss TZVP and Dunning's aug-cc-pVTZ as well as even-tempered Slater basis sets, namely, et-DZPp, et-QZ3P, et-QZ+5P and et-pVQZ). Orbital momentum distributions of the 7σ orbital in the ground electronic state of NNO, which are obtained from a Fourier transform into momentum space from single point electronic calculations employing the above models, are compared with experimental measurement of the same orbital from electron momentum spectroscopy (EMS). The present study reveals information on performance of (a) the density functional methods, (b) Gaussian and Slater basis sets, (c) combinations of the density functional methods and basis sets, that is, the models, (d) orbital momentum distributions, rather than a group of specific molecular properties and (e) the entire region of chemical significance of the orbital. It is found that discrepancies of this orbital between the measured and the calculated occur in the small momentum region (i.e. large r region). In general, Slater basis sets achieve better overall performance than the Gaussian basis sets. Performance of the Gaussian basis sets varies noticeably when combining with different Vxc functionals, but Dunning's augcc-pVTZ basis set achieves the best performance for the momentum distributions of this orbital. The overall performance of the B3LYP and BP86 models is similar to newer models such as X3LYP and SAOP. The present study also demonstrates that the combinations of the density functional methods and the basis sets indeed make a difference in the quality of the
Briffa; Elwood
2000-01-01
Hermit crabs, Pagurus bernhardus, sometimes exchange shells after a period of shell rapping, when the initiating or attacking crab brings its shell rapidly and repeatedly into contact with the shell of the noninitiator or defender in a series of bouts. Bouts are separated by pauses, and raps within bouts are separated by very short periods called 'gaps'. Since within-contest variation is missed when signals are studied by averaging performance rates over entire contests, we analysed the fine within-bout structure of this repeated, aggressive signal. We found that the pattern is consistent with high levels of fatigue in initiators. The duration of the gaps between individual raps increased both within bouts and from bout to bout, and we conclude that this activity is costly to perform. Furthermore, long pauses between bouts is correlated with increased vigour of rapping in the subsequent bout, which suggests that the pause allows for recovery from fatigue induced by rapping. These between-bout pauses may be assessed by noninitiators and provide a signal of stamina. Copyright 2000 The Association for the Study of Animal Behaviour.
Directory of Open Access Journals (Sweden)
Yuri B. Tebekin
2011-11-01
Full Text Available The article is devoted to the problem of the quality management for multiphase processes on the basis of the probabilistic approach. Method with continuous response functions is offered from the application of the method of Lagrange multipliers.
Global sensitivity analysis using a Gaussian Radial Basis Function metamodel
International Nuclear Information System (INIS)
Wu, Zeping; Wang, Donghui; Okolo N, Patrick; Hu, Fan; Zhang, Weihua
2016-01-01
Sensitivity analysis plays an important role in exploring the actual impact of adjustable parameters on response variables. Amongst the wide range of documented studies on sensitivity measures and analysis, Sobol' indices have received greater portion of attention due to the fact that they can provide accurate information for most models. In this paper, a novel analytical expression to compute the Sobol' indices is derived by introducing a method which uses the Gaussian Radial Basis Function to build metamodels of computationally expensive computer codes. Performance of the proposed method is validated against various analytical functions and also a structural simulation scenario. Results demonstrate that the proposed method is an efficient approach, requiring a computational cost of one to two orders of magnitude less when compared to the traditional Quasi Monte Carlo-based evaluation of Sobol' indices. - Highlights: • RBF based sensitivity analysis method is proposed. • Sobol' decomposition of Gaussian RBF metamodel is obtained. • Sobol' indices of Gaussian RBF metamodel are derived based on the decomposition. • The efficiency of proposed method is validated by some numerical examples.
DEFF Research Database (Denmark)
Kim, Oleksiy S.; Meincke, Peter; Breinbjerg, Olav
2007-01-01
The problem of electromagnetic scattering by composite metallic and dielectric objects is solved using the coupled volume-surface integral equation (VSIE). The method of moments (MoM) based on higher-order hierarchical Legendre basis functions and higher-order curvilinear geometrical elements...... with the analytical Mie series solution. Scattering by more complex metal-dielectric objects are also considered to compare the presented technique with other numerical methods....
Ryu, Duchwan; Liang, Faming; Mallick, Bani K.
2013-01-01
be modeled by a dynamic system which changes with time and location. In this article, we propose a radial basis function network-based dynamic model which is able to catch the nonlinearity of the data and propose to use the dynamically weighted particle
Functional Basis for Efficient Physical Layer Classical Control in Quantum Processors
Ball, Harrison; Nguyen, Trung; Leong, Philip H. W.; Biercuk, Michael J.
2016-12-01
The rapid progress seen in the development of quantum-coherent devices for information processing has motivated serious consideration of quantum computer architecture and organization. One topic which remains open for investigation and optimization relates to the design of the classical-quantum interface, where control operations on individual qubits are applied according to higher-level algorithms; accommodating competing demands on performance and scalability remains a major outstanding challenge. In this work, we present a resource-efficient, scalable framework for the implementation of embedded physical layer classical controllers for quantum-information systems. Design drivers and key functionalities are introduced, leading to the selection of Walsh functions as an effective functional basis for both programing and controller hardware implementation. This approach leverages the simplicity of real-time Walsh-function generation in classical digital hardware, and the fact that a wide variety of physical layer controls, such as dynamic error suppression, are known to fall within the Walsh family. We experimentally implement a real-time field-programmable-gate-array-based Walsh controller producing Walsh timing signals and Walsh-synthesized analog waveforms appropriate for critical tasks in error-resistant quantum control and noise characterization. These demonstrations represent the first step towards a unified framework for the realization of physical layer controls compatible with large-scale quantum-information processing.
Noncommuting limits of oscillator wave functions
International Nuclear Information System (INIS)
Daboul, J.; Pogosyan, G. S.; Wolf, K. B.
2007-01-01
Quantum harmonic oscillators with spring constants k > 0 plus constant forces f exhibit rescaled and displaced Hermite-Gaussian wave functions, and discrete, lower bound spectra. We examine their limits when (k, f) → (0, 0) along two different paths. When f → 0 and then k → 0, the contraction is standard: the system becomes free with a double continuous, positive spectrum, and the wave functions limit to plane waves of definite parity. On the other hand, when k → 0 first, the contraction path passes through the free-fall system, with a continuous, nondegenerate, unbounded spectrum and displaced Airy wave functions, while parity is lost. The subsequent f → 0 limit of the nonstandard path shows the dc hysteresis phenomenon of noncommuting contractions: the lost parity reappears as an infinitely oscillating superposition of the two limiting solutions that are related by the symmetry
Wavelets as basis functions in electronic structure calculations
International Nuclear Information System (INIS)
Chauvin, C.
2005-11-01
This thesis is devoted to the definition and the implementation of a multi-resolution method to determine the fundamental state of a system composed of nuclei and electrons. In this work, we are interested in the Density Functional Theory (DFT), which allows to express the Hamiltonian operator with the electronic density only, by a Coulomb potential and a non-linear potential. This operator acts on orbitals, which are solutions of the so-called Kohn-Sham equations. Their resolution needs to express orbitals and density on a set of functions owing both physical and numerical properties, as explained in the second chapter. One can hardly satisfy these two properties simultaneously, that is why we are interested in orthogonal and bi-orthogonal wavelets basis, whose properties of interpolation are presented in the third chapter. We present in the fourth chapter three dimensional solvers for the Coulomb's potential, using not only the preconditioning property of wavelets, but also a multigrid algorithm. Determining this potential allows us to solve the self-consistent Kohn-Sham equations, by an algorithm presented in chapter five. The originality of our method consists in the construction of the stiffness matrix, combining a Galerkin formulation and a collocation scheme. We analyse the approximation properties of this method in case of linear Hamiltonian, such as harmonic oscillator and hydrogen, and present convergence results of the DFT for small electrons. Finally we show how orbital compression reduces considerably the number of coefficients to keep, while preserving a good accuracy of the fundamental energy. (author)
Machine learning of radial basis function neural network based on Kalman filter: Introduction
Directory of Open Access Journals (Sweden)
Vuković Najdan L.
2014-01-01
Full Text Available This paper analyzes machine learning of radial basis function neural network based on Kalman filtering. Three algorithms are derived: linearized Kalman filter, linearized information filter and unscented Kalman filter. We emphasize basic properties of these estimation algorithms, demonstrate how their advantages can be used for optimization of network parameters, derive mathematical models and show how they can be applied to model problems in engineering practice.
Modelling of coil-loaded wire antenna using composite multiple domain basis functions
CSIR Research Space (South Africa)
Lysko, AA
2010-03-01
Full Text Available - tional Electromagnetics, Artech House, 2001. 3. Rogers, S. D. and C. M. Butler, \\An e–cient curved-wire integral equation solution technique," IEEE Trans. Ant. and Propag., 70{79, Vol. 49, Jan. 2001. 4. Mosig, J. and E. Suter, \\A multilevel divide.... 8. Wan, J. X., J. Lei, and C.-H. Liang, \\An e–cient analysis of large-scale periodic microstrip antenna arrays using the characteristic basis function method," Progress In Electromagnetics Research, PIER 50, 61{81, 2005. 9. Taguchi, M., K...
Radial basis function neural networks with sequential learning MRAN and its applications
Sundararajan, N; Wei Lu Ying
1999-01-01
This book presents in detail the newly developed sequential learning algorithm for radial basis function neural networks, which realizes a minimal network. This algorithm, created by the authors, is referred to as Minimal Resource Allocation Networks (MRAN). The book describes the application of MRAN in different areas, including pattern recognition, time series prediction, system identification, control, communication and signal processing. Benchmark problems from these areas have been studied, and MRAN is compared with other algorithms. In order to make the book self-contained, a review of t
Bubin, Sergiy; Adamowicz, Ludwik
2008-03-01
In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.
Bubin, Sergiy; Adamowicz, Ludwik
2008-03-21
In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.
International Nuclear Information System (INIS)
Ermakov, A.I.; Belousov, V.V.
2007-01-01
Relaxation effect of functions of the basis sets (BS) STO-3G and 6-31G* on their equilibration in the series of isoelectron molecules: LiF, BeO, BN and C 2 is considered. Values of parameters (exponential factor of basis functions, orbital exponents of Gauss primitives and coefficients of their grouping) of basis functions in molecules are discovered using the criterion of minimum of energy by the unlimited Hartree-Fock method calculations (UHF) with the help of direct optimization of parameters: the simplex-method and Rosenbrock method. Certain schemes of optimization differing by the amount of varying parameters have been done. Interaction of basis functions parameters of concerned sets through medium values of the Gauss exponents is established. Effects of relaxation on the change of full energy and relative errors of the calculations of interatomic distances, normal oscillations frequencies, dissociation energy and other properties of molecules are considered. Change of full energy during the relaxation of basis functions (RBF) STO-3G and 6-31G* amounts 1100 and 80 kJ/mol correspondingly, and it is in need of the account during estimation of energetic characteristics, especially for systems with high-polar chemical bonds. The relaxation BS STO-3G practically in all considered cases improves description of molecular properties, whereas the relaxation BS 6-31G* lightly effects on its equilibration [ru
International Nuclear Information System (INIS)
Davidson, G.; Palmer, T.S.
2005-01-01
In 1975, Wachspress developed basis functions that can be constructed upon very general zone shapes, including convex polygons and polyhedra, as well as certain zone shapes with curved sides and faces. Additionally, Adams has recently shown that weight functions with certain properties will produce solutions with full-resolution. Wachspress rational functions possess those necessary properties. Here we present methods to construct and integrate Wachspress rational functions on quadrilaterals. We also present an asymptotic analysis of a discontinuous finite element discretization on quadrilaterals, and we present 3 numerical results that confirm the predictions of our analysis. In the first test problem, we showed that Wachspress rational functions could give robust solutions for a strongly heterogeneous problem with both orthogonal and skewed meshes. This strongly heterogenous problem contained thick, diffusive regions, and the discretization provided full-resolution solutions. In the second test problem, we confirmed our asymptotic analysis by demonstrating that the transport solution will converge to the diffusion solution as the problem is made increasingly thick and diffusive. In the third test problem, we demonstrated that bilinear discontinuous based transport and Wachspress rational function based transport converge in the one-mesh limit
International Nuclear Information System (INIS)
Feng Weiguo; Wang Hongwei; Wu Xiang
1989-12-01
Based on the real space Correlated-Basis-Functions theory and the collective oscillation behaviour of the electron gas with effective Coulomb interaction, the many body wave function is obtained for the quasi-two-dimensional electron system in the semiconductor inversion layer. The pair-correlation function and the correlation energy of the system have been calculated by the integro-differential method in this paper. The comparison with the other previous theoretical results is also made. The new theoretical approach and its numerical results show that the pair-correlation functions are definitely positive and satisfy the normalization condition. (author). 10 refs, 2 figs
Energy Technology Data Exchange (ETDEWEB)
Zhang, Gaigong [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lin, Lin, E-mail: linlin@math.berkeley.edu [Department of Mathematics, University of California, Berkeley, Berkeley, CA 94720 (United States); Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Hu, Wei, E-mail: whu@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yang, Chao, E-mail: cyang@lbl.gov [Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Pask, John E., E-mail: pask1@llnl.gov [Physics Division, Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States)
2017-04-15
Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn–Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically improvable for total energy calculations. In this paper, we present the calculation of atomic forces, which can be used for a range of applications such as geometry optimization and molecular dynamics simulation. We demonstrate that, under mild assumptions, the computation of atomic forces can scale nearly linearly with the number of atoms in the system using the adaptive local basis set. We quantify the accuracy of the Hellmann–Feynman forces for a range of physical systems, benchmarked against converged planewave calculations, and find that the adaptive local basis set is efficient for both force and energy calculations, requiring at most a few tens of basis functions per atom to attain accuracies required in practice. Since the adaptive local basis set has implicit dependence on atomic positions, Pulay forces are in general nonzero. However, we find that the Pulay force is numerically small and systematically decreasing with increasing basis completeness, so that the Hellmann–Feynman force is sufficient for basis sizes of a few tens of basis functions per atom. We verify the accuracy of the computed forces in static calculations of quasi-1D and 3D disordered Si systems, vibration calculation of a quasi-1D Si system, and molecular dynamics calculations of H{sub 2} and liquid Al–Si alloy systems, where we show systematic convergence to benchmark planewave results and results from the literature.
The neural basis of human social values: evidence from functional MRI.
Zahn, Roland; Moll, Jorge; Paiva, Mirella; Garrido, Griselda; Krueger, Frank; Huey, Edward D; Grafman, Jordan
2009-02-01
Social values are composed of social concepts (e.g., "generosity") and context-dependent moral sentiments (e.g., "pride"). The neural basis of this intricate cognitive architecture has not been investigated thus far. Here, we used functional magnetic resonance imaging while subjects imagined their own actions toward another person (self-agency) which either conformed or were counter to a social value and were associated with pride or guilt, respectively. Imagined actions of another person toward the subjects (other-agency) in accordance with or counter to a value were associated with gratitude or indignation/anger. As hypothesized, superior anterior temporal lobe (aTL) activity increased with conceptual detail in all conditions. During self-agency, activity in the anterior ventromedial prefrontal cortex correlated with pride and guilt, whereas activity in the subgenual cingulate solely correlated with guilt. In contrast, indignation/anger activated lateral orbitofrontal-insular cortices. Pride and gratitude additionally evoked mesolimbic and basal forebrain activations. Our results demonstrate that social values emerge from coactivation of stable abstract social conceptual representations in the superior aTL and context-dependent moral sentiments encoded in fronto-mesolimbic regions. This neural architecture may provide the basis of our ability to communicate about the meaning of social values across cultural contexts without limiting our flexibility to adapt their emotional interpretation.
Study on a phase space representation of quantum theory
International Nuclear Information System (INIS)
Ranaivoson, R.T.R; Raoelina Andriambololona; Hanitriarivo, R.; Raboanary, R.
2013-01-01
A study on a method for the establishment of a phase space representation of quantum theory is presented. The approach utilizes the properties of Gaussian distribution, the properties of Hermite polynomials, Fourier analysis and the current formulation of quantum mechanics which is based on the use of Hilbert space and linear operators theory. Phase space representation of quantum states and wave functions in phase space are introduced using properties of a set of functions called harmonic Gaussian functions. Then, new operators called dispersion operators are defined and identified as the operators which admit as eigenstates the basis states of the phase space representation. Generalization of the approach for multidimensional cases is shown. Examples of applications are given.
Directory of Open Access Journals (Sweden)
Kushal P. Pradhan
2017-12-01
Full Text Available With technological advances in the field of communication, the need for reliable high-speed data transfer is increasing. The deployment of large number of wireless sensors for remote monitoring and control and streaming of high definition video, voice and image data, etc. are imposing a challenge to the existing network bandwidth allocation for reliable communication. Two novel schemes for ultra-wide band (UWB communication technology have been proposed in this paper with the key objective of intensifying the data rate by taking advantage of the orthogonal properties of the modified Hermite pulse (MHP. In the first scheme, a composite pulse is transmitted and in the second scheme, a sequence of multi-order orthogonal pulses is transmitted in the place of a single UWB pulse. The MHP pulses exhibit a mutually orthogonal property between different ordered pulses and due to this property, simultaneous transmission is achieved without collision in the UWB system, resulting in an increase in transmission capacity or improved bit error rate. The proposed schemes for enhanced data rate will offer high volume data monitoring, assessment, and control of wireless devices without overburdening the network bandwidth and pave the way for new platforms for future high-speed wireless sensor applications.
Sturmian functions in a L{sup 2} basis: Critical nuclear charge for N-electron atoms
Energy Technology Data Exchange (ETDEWEB)
Frapiccini, A.L. [Departamento de Fisica, Universidad Nacional del Sur, Bahia Blanca (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina)], E-mail: afrapic@uns.edu.ar; Gasaneo, G. [Departamento de Fisica, Universidad Nacional del Sur, Bahia Blanca (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Colavecchia, F.D. [Centro Atomico Bariloche, San Carlos de Bariloche, Rio Negro (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Mitnik, D. [Instituto de Astronomia y Fisica del Espacio and, Departamento de Fisica, Universidad de Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina)
2007-10-15
Two particle Sturmian functions [M. Rotenberg, Ann. Phys., NY 19 (1962) 262; S.V. Khristenko, Theor. Math. Fiz. 22 (1975) 31 (Engl. Transl. Theor. Math. Phys. 22, 21)] for a short range potentials are obtained by expanding the solution of the Schroedinger equation in a finite L{sup 2}Laguerre-type basis. These functions are chosen to satisfy certain boundary conditions, such as regularity at the origin and the correct asymptotic behavior according to the energy domain: exponential decay for negative energy and outgoing (incoming or standing wave) for positive energy. The set of eigenvalues obtained is discrete for both positive and negative energies. This Sturmian basis is used to solve the Schroedinger equation for a one-particle model potential [A.V. Sergeev, S. Kais, J. Quant. Chem. 75 (1999) 533] to describe the motion of a loosely bound electron in a multielectron atom. Values of the two parameters of the potential are computed to represent the Helium isoelectronic series and the critical nuclear charge Z{sub c} is found, in good agreement with previous calculations.
GRACE L1b inversion through a self-consistent modified radial basis function approach
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
Least square fitting of low resolution gamma ray spectra with cubic B-spline basis functions
International Nuclear Information System (INIS)
Zhu Menghua; Liu Lianggang; Qi Dongxu; You Zhong; Xu Aoao
2009-01-01
In this paper, the least square fitting method with the cubic B-spline basis functions is derived to reduce the influence of statistical fluctuations in the gamma ray spectra. The derived procedure is simple and automatic. The results show that this method is better than the convolution method with a sufficient reduction of statistical fluctuation. (authors)
Complex basis functions for molecular resonances: Methodology and applications
White, Alec; McCurdy, C. William; Head-Gordon, Martin
The computation of positions and widths of metastable electronic states is a challenge for molecular electronic structure theory because, in addition to the difficulty of the many-body problem, such states obey scattering boundary conditions. These resonances cannot be addressed with naïve application of traditional bound state electronic structure theory. Non-Hermitian electronic structure methods employing complex basis functions is one way that we may rigorously treat resonances within the framework of traditional electronic structure theory. In this talk, I will discuss our recent work in this area including the methodological extension from single determinant SCF-based approaches to highly correlated levels of wavefunction-based theory such as equation of motion coupled cluster and many-body perturbation theory. These approaches provide a hierarchy of theoretical methods for the computation of positions and widths of molecular resonances. Within this framework, we may also examine properties of resonances including the dependence of these parameters on molecular geometry. Some applications of these methods to temporary anions and dianions will also be discussed.
Neuronal spike sorting based on radial basis function neural networks
Directory of Open Access Journals (Sweden)
Taghavi Kani M
2011-02-01
Full Text Available "nBackground: Studying the behavior of a society of neurons, extracting the communication mechanisms of brain with other tissues, finding treatment for some nervous system diseases and designing neuroprosthetic devices, require an algorithm to sort neuralspikes automatically. However, sorting neural spikes is a challenging task because of the low signal to noise ratio (SNR of the spikes. The main purpose of this study was to design an automatic algorithm for classifying neuronal spikes that are emitted from a specific region of the nervous system."n "nMethods: The spike sorting process usually consists of three stages: detection, feature extraction and sorting. We initially used signal statistics to detect neural spikes. Then, we chose a limited number of typical spikes as features and finally used them to train a radial basis function (RBF neural network to sort the spikes. In most spike sorting devices, these signals are not linearly discriminative. In order to solve this problem, the aforesaid RBF neural network was used."n "nResults: After the learning process, our proposed algorithm classified any arbitrary spike. The obtained results showed that even though the proposed Radial Basis Spike Sorter (RBSS reached to the same error as the previous methods, however, the computational costs were much lower compared to other algorithms. Moreover, the competitive points of the proposed algorithm were its good speed and low computational complexity."n "nConclusion: Regarding the results of this study, the proposed algorithm seems to serve the purpose of procedures that require real-time processing and spike sorting.
Functional Basis of Microorganism Classification.
Zhu, Chengsheng; Delmont, Tom O; Vogel, Timothy M; Bromberg, Yana
2015-08-01
Correctly identifying nearest "neighbors" of a given microorganism is important in industrial and clinical applications where close relationships imply similar treatment. Microbial classification based on similarity of physiological and genetic organism traits (polyphasic similarity) is experimentally difficult and, arguably, subjective. Evolutionary relatedness, inferred from phylogenetic markers, facilitates classification but does not guarantee functional identity between members of the same taxon or lack of similarity between different taxa. Using over thirteen hundred sequenced bacterial genomes, we built a novel function-based microorganism classification scheme, functional-repertoire similarity-based organism network (FuSiON; flattened to fusion). Our scheme is phenetic, based on a network of quantitatively defined organism relationships across the known prokaryotic space. It correlates significantly with the current taxonomy, but the observed discrepancies reveal both (1) the inconsistency of functional diversity levels among different taxa and (2) an (unsurprising) bias towards prioritizing, for classification purposes, relatively minor traits of particular interest to humans. Our dynamic network-based organism classification is independent of the arbitrary pairwise organism similarity cut-offs traditionally applied to establish taxonomic identity. Instead, it reveals natural, functionally defined organism groupings and is thus robust in handling organism diversity. Additionally, fusion can use organism meta-data to highlight the specific environmental factors that drive microbial diversification. Our approach provides a complementary view to cladistic assignments and holds important clues for further exploration of microbial lifestyles. Fusion is a more practical fit for biomedical, industrial, and ecological applications, as many of these rely on understanding the functional capabilities of the microbes in their environment and are less concerned with
DSouza, Adora M; Abidin, Anas Zainul; Nagarajan, Mahesh B; Wismüller, Axel
2016-03-29
We investigate the applicability of a computational framework, called mutual connectivity analysis (MCA), for directed functional connectivity analysis in both synthetic and resting-state functional MRI data. This framework comprises of first evaluating non-linear cross-predictability between every pair of time series prior to recovering the underlying network structure using community detection algorithms. We obtain the non-linear cross-prediction score between time series using Generalized Radial Basis Functions (GRBF) neural networks. These cross-prediction scores characterize the underlying functionally connected networks within the resting brain, which can be extracted using non-metric clustering approaches, such as the Louvain method. We first test our approach on synthetic models with known directional influence and network structure. Our method is able to capture the directional relationships between time series (with an area under the ROC curve = 0.92 ± 0.037) as well as the underlying network structure (Rand index = 0.87 ± 0.063) with high accuracy. Furthermore, we test this method for network recovery on resting-state fMRI data, where results are compared to the motor cortex network recovered from a motor stimulation sequence, resulting in a strong agreement between the two (Dice coefficient = 0.45). We conclude that our MCA approach is effective in analyzing non-linear directed functional connectivity and in revealing underlying functional network structure in complex systems.
The Gaussian radial basis function method for plasma kinetic theory
Energy Technology Data Exchange (ETDEWEB)
Hirvijoki, E., E-mail: eero.hirvijoki@chalmers.se [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Candy, J.; Belli, E. [General Atomics, PO Box 85608, San Diego, CA 92186-5608 (United States); Embréus, O. [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden)
2015-10-30
Description of a magnetized plasma involves the Vlasov equation supplemented with the non-linear Fokker–Planck collision operator. For non-Maxwellian distributions, the collision operator, however, is difficult to compute. In this Letter, we introduce Gaussian Radial Basis Functions (RBFs) to discretize the velocity space of the entire kinetic system, and give the corresponding analytical expressions for the Vlasov and collision operator. Outlining the general theory, we also highlight the connection to plasma fluid theories, and give 2D and 3D numerical solutions of the non-linear Fokker–Planck equation. Applications are anticipated in both astrophysical and laboratory plasmas. - Highlights: • A radically new method to address the velocity space discretization of the non-linear kinetic equation of plasmas. • Elegant and physically intuitive, flexible and mesh-free. • Demonstration of numerical solution of both 2-D and 3-D non-linear Fokker–Planck relaxation problem.
Functional Basis of Microorganism Classification
Zhu, Chengsheng; Delmont, Tom O.; Vogel, Timothy M.; Bromberg, Yana
2015-01-01
Correctly identifying nearest “neighbors” of a given microorganism is important in industrial and clinical applications where close relationships imply similar treatment. Microbial classification based on similarity of physiological and genetic organism traits (polyphasic similarity) is experimentally difficult and, arguably, subjective. Evolutionary relatedness, inferred from phylogenetic markers, facilitates classification but does not guarantee functional identity between members of the same taxon or lack of similarity between different taxa. Using over thirteen hundred sequenced bacterial genomes, we built a novel function-based microorganism classification scheme, functional-repertoire similarity-based organism network (FuSiON; flattened to fusion). Our scheme is phenetic, based on a network of quantitatively defined organism relationships across the known prokaryotic space. It correlates significantly with the current taxonomy, but the observed discrepancies reveal both (1) the inconsistency of functional diversity levels among different taxa and (2) an (unsurprising) bias towards prioritizing, for classification purposes, relatively minor traits of particular interest to humans. Our dynamic network-based organism classification is independent of the arbitrary pairwise organism similarity cut-offs traditionally applied to establish taxonomic identity. Instead, it reveals natural, functionally defined organism groupings and is thus robust in handling organism diversity. Additionally, fusion can use organism meta-data to highlight the specific environmental factors that drive microbial diversification. Our approach provides a complementary view to cladistic assignments and holds important clues for further exploration of microbial lifestyles. Fusion is a more practical fit for biomedical, industrial, and ecological applications, as many of these rely on understanding the functional capabilities of the microbes in their environment and are less concerned
Neural Basis of Enhanced Executive Function in Older Video Game Players: An fMRI Study.
Wang, Ping; Zhu, Xing-Ting; Qi, Zhigang; Huang, Silin; Li, Hui-Jie
2017-01-01
Video games have been found to have positive influences on executive function in older adults; however, the underlying neural basis of the benefits from video games has been unclear. Adopting a task-based functional magnetic resonance imaging (fMRI) study targeted at the flanker task, the present study aims to explore the neural basis of the improved executive function in older adults with video game experiences. Twenty video game players (VGPs) and twenty non-video game players (NVGPs) of 60 years of age or older participated in the present study, and there are no significant differences in age ( t = 0.62, p = 0.536), gender ratio ( t = 1.29, p = 0.206) and years of education ( t = 1.92, p = 0.062) between VGPs and NVGPs. The results show that older VGPs present significantly better behavioral performance than NVGPs. Older VGPs activate greater than NVGPs in brain regions, mainly in frontal-parietal areas, including the right dorsolateral prefrontal cortex, the left supramarginal gyrus, the right angular gyrus, the right precuneus and the left paracentral lobule. The present study reveals that video game experiences may have positive influences on older adults in behavioral performance and the underlying brain activation. These results imply the potential role that video games can play as an effective tool to improve cognitive ability in older adults.
Neural Basis of Enhanced Executive Function in Older Video Game Players: An fMRI Study
Directory of Open Access Journals (Sweden)
Ping Wang
2017-11-01
Full Text Available Video games have been found to have positive influences on executive function in older adults; however, the underlying neural basis of the benefits from video games has been unclear. Adopting a task-based functional magnetic resonance imaging (fMRI study targeted at the flanker task, the present study aims to explore the neural basis of the improved executive function in older adults with video game experiences. Twenty video game players (VGPs and twenty non-video game players (NVGPs of 60 years of age or older participated in the present study, and there are no significant differences in age (t = 0.62, p = 0.536, gender ratio (t = 1.29, p = 0.206 and years of education (t = 1.92, p = 0.062 between VGPs and NVGPs. The results show that older VGPs present significantly better behavioral performance than NVGPs. Older VGPs activate greater than NVGPs in brain regions, mainly in frontal-parietal areas, including the right dorsolateral prefrontal cortex, the left supramarginal gyrus, the right angular gyrus, the right precuneus and the left paracentral lobule. The present study reveals that video game experiences may have positive influences on older adults in behavioral performance and the underlying brain activation. These results imply the potential role that video games can play as an effective tool to improve cognitive ability in older adults.
CSIR Research Space (South Africa)
Lysko, AA
2009-06-01
Full Text Available The paper introduces a method to cover several wire segments with a single basis function, describes related practical algorithms, and gives some results. The process involves three steps: identifying chains of wire segments, splitting the chains...
International Nuclear Information System (INIS)
Mao, Yuezhi; Horn, Paul R.; Mardirossian, Narbe; Head-Gordon, Teresa; Skylaris, Chris-Kriton; Head-Gordon, Martin
2016-01-01
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 produces <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.
Piret, Cé cile
2012-01-01
Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper
Critical statistics for non-Hermitian matrices
International Nuclear Information System (INIS)
Garcia-Garcia, A.M.; Verbaarschot, J.J.M.; Nishigaki, S.M.
2002-01-01
We introduce a generalized ensemble of non-Hermitian matrices interpolating between the Gaussian Unitary Ensemble, the Ginibre ensemble, and the Poisson ensemble. The joint eigenvalue distribution of this model is obtained by means of an extension of the Itzykson-Zuber formula to general complex matrices. Its correlation functions are studied both in the case of weak non-Hermiticity and in the case of strong non-Hermiticity. In the weak non-Hermiticity limit we show that the spectral correlations in the bulk of the spectrum display critical statistics: the asymptotic linear behavior of the number variance is already approached for energy differences of the order of the eigenvalue spacing. To lowest order, its slope does not depend on the degree of non-Hermiticity. Close the edge, the spectral correlations are similar to the Hermitian case. In the strong non-Hermiticity limit the crossover behavior from the Ginibre ensemble to the Poisson ensemble first appears close to the surface of the spectrum. Our model may be relevant for the description of the spectral correlations of an open disordered system close to an Anderson transition
Petruzielo, F R; Toulouse, Julien; Umrigar, C J
2011-02-14
A simple yet general method for constructing basis sets for molecular electronic structure calculations is presented. These basis sets consist of atomic natural orbitals from a multiconfigurational self-consistent field calculation supplemented with primitive functions, chosen such that the asymptotics are appropriate for the potential of the system. Primitives are optimized for the homonuclear diatomic molecule to produce a balanced basis set. Two general features that facilitate this basis construction are demonstrated. First, weak coupling exists between the optimal exponents of primitives with different angular momenta. Second, the optimal primitive exponents for a chosen system depend weakly on the particular level of theory employed for optimization. The explicit case considered here is a basis set appropriate for the Burkatzki-Filippi-Dolg pseudopotentials. Since these pseudopotentials are finite at nuclei and have a Coulomb tail, the recently proposed Gauss-Slater functions are the appropriate primitives. Double- and triple-zeta bases are developed for elements hydrogen through argon. These new bases offer significant gains over the corresponding Burkatzki-Filippi-Dolg bases at various levels of theory. Using a Gaussian expansion of the basis functions, these bases can be employed in any electronic structure method. Quantum Monte Carlo provides an added benefit: expansions are unnecessary since the integrals are evaluated numerically.
Directory of Open Access Journals (Sweden)
Manuel Ayón-Parente
2012-09-01
Full Text Available New records are provided for three species of little-known pagurids. All the material reported was collected by the R/V “El Puma” in the central Gulf of California during the GUAYTEC II cruise. New material is reported for Iridopagurus haigae García-Gómez, 1983, Enallopagurus spinicarpus (Glassell, 1937, and Solenopagurus diomedeae (Faxon, 1893, and these two latter species are redescribed. A new species of hermit crab of the genus Pagurus Fabricius, 1775, is described and illustrated in detail. Among the eastern Pacific species of Pagurus, this new species resembles Pagurus meloi Lemaitre and Cruz Castaño, 2004, P. imarpe Haig, 1974 and P. delsolari Haig, 1974, but differs from these three species in the armature and setation of the chelipeds and second and third pereopods, the shape and armature of the telson, and the number of rows of scales on pereopodal rasp and the presence of a preungual process.
A new diffusion nodal method based on analytic basis function expansion
International Nuclear Information System (INIS)
Noh, J.M.; Cho, N.Z.
1993-01-01
The transverse integration procedure commonly used in most advanced nodal methods results in some limitations. The first is that the transverse leakage term that appears in the transverse integration procedure must be appropriately approximated. In most advanced nodal methods, this term is expanded in a quadratic polynomial. The second arises when reconstructing the pinwise flux distribution within a node. The available one-dimensional flux shapes from nodal calculation in each spatial direction cannot be used directly in the flux reconstruction. Finally, the transverse leakage defined for a hexagonal node becomes so complicated as not to be easily handled and contains nonphysical singular terms. In this paper, a new nodal method called the analytic function expansion nodal (AFEN) method is described for both the rectangular geometry and the hexagonal geometry in order to overcome these limitations. This method does not solve the transverse-integrated one-dimensional diffusion equations but instead solves directly the original multidimensional diffusion equation within a node. This is a accomplished by expanding the solution (or the intranodal homogeneous flux distribution) in terms of nonseparable analytic basis functions satisfying the diffusion equation at any point in the node
International Nuclear Information System (INIS)
Dalmasse, Kevin; Nychka, Douglas W.; Gibson, Sarah E.; Fan, Yuhong; Flyer, Natasha
2016-01-01
The Coronal Multichannel Polarimeter (CoMP) routinely performs coronal polarimetric measurements using the Fe XIII 10747 and 10798 lines, which are sensitive to the coronal magnetic field. However, inverting such polarimetric measurements into magnetic field data is a difficult task because the corona is optically thin at these wavelengths and the observed signal is therefore the integrated emission of all the plasma along the line of sight. To overcome this difficulty, we take on a new approach that combines a parameterized 3D magnetic field model with forward modeling of the polarization signal. For that purpose, we develop a new, fast and efficient, optimization method for model-data fitting: the Radial-basis-functions Optimization Approximation Method (ROAM). Model-data fitting is achieved by optimizing a user-specified log-likelihood function that quantifies the differences between the observed polarization signal and its synthetic/predicted analog. Speed and efficiency are obtained by combining sparse evaluation of the magnetic model with radial-basis-function (RBF) decomposition of the log-likelihood function. The RBF decomposition provides an analytical expression for the log-likelihood function that is used to inexpensively estimate the set of parameter values optimizing it. We test and validate ROAM on a synthetic test bed of a coronal magnetic flux rope and show that it performs well with a significantly sparse sample of the parameter space. We conclude that our optimization method is well-suited for fast and efficient model-data fitting and can be exploited for converting coronal polarimetric measurements, such as the ones provided by CoMP, into coronal magnetic field data.
Energy Technology Data Exchange (ETDEWEB)
Witte, Jonathon [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Neaton, Jeffrey B. [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States); Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)
2016-05-21
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.
International Nuclear Information System (INIS)
G. L. Sharp; R. T. McCracken
2004-01-01
The Advanced Test Reactor (ATR) is a pressurized light-water reactor with a design thermal power of 250 MW. The principal function of the ATR is to provide a high neutron flux for testing reactor fuels and other materials. The reactor also provides other irradiation services such as radioisotope production. The ATR and its support facilities are located at the Test Reactor Area of the Idaho National Engineering and Environmental Laboratory (INEEL). An audit conducted by the Department of Energy's Office of Independent Oversight and Performance Assurance (DOE OA) raised concerns that design conditions at the ATR were not adequately analyzed in the safety analysis and that legacy design basis management practices had the potential to further impact safe operation of the facility.1 The concerns identified by the audit team, and issues raised during additional reviews performed by ATR safety analysts, were evaluated through the unreviewed safety question process resulting in shutdown of the ATR for more than three months while these concerns were resolved. Past management of the ATR safety basis, relative to facility design basis management and change control, led to concerns that discrepancies in the safety basis may have developed. Although not required by DOE orders or regulations, not performing design basis verification in conjunction with development of the 10 CFR 830 Subpart B upgraded safety basis allowed these potential weaknesses to be carried forward. Configuration management and a clear definition of the existing facility design basis have a direct relation to developing and maintaining a high quality safety basis which properly identifies and mitigates all hazards and postulated accident conditions. These relations and the impact of past safety basis management practices have been reviewed in order to identify lessons learned from the safety basis upgrade process and appropriate actions to resolve possible concerns with respect to the current ATR safety
Burken, John J.
2005-01-01
This viewgraph presentation reviews the use of a Robust Servo Linear Quadratic Regulator (LQR) and a Radial Basis Function (RBF) Neural Network in reconfigurable flight control designs in adaptation to a aircraft part failure. The method uses a robust LQR servomechanism design with model Reference adaptive control, and RBF neural networks. During the failure the LQR servomechanism behaved well, and using the neural networks improved the tracking.
Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets.
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.
Santra, Biswajit; Michaelides, Angelos; Scheffler, Matthias
2007-11-01
The ability of several density-functional theory (DFT) exchange-correlation functionals to describe hydrogen bonds in small water clusters (dimer to pentamer) in their global minimum energy structures is evaluated with reference to second order Møller-Plesset perturbation theory (MP2). Errors from basis set incompleteness have been minimized in both the MP2 reference data and the DFT calculations, thus enabling a consistent systematic evaluation of the true performance of the tested functionals. Among all the functionals considered, the hybrid X3LYP and PBE0 functionals offer the best performance and among the nonhybrid generalized gradient approximation functionals, mPWLYP and PBE1W perform best. The popular BLYP and B3LYP functionals consistently underbind and PBE and PW91 display rather variable performance with cluster size.
MacKenzie, Anne I.; Rao, Sadasiva M.; Baginski, Michael E.
2007-01-01
A pair of basis functions is presented for the surface integral, method of moment solution of scattering by arbitrarily-shaped, three-dimensional dielectric bodies. Equivalent surface currents are represented by orthogonal unit pulse vectors in conjunction with triangular patch modeling. The electric field integral equation is employed with closed geometries for dielectric bodies; the method may also be applied to conductors. Radar cross section results are shown for dielectric bodies having canonical spherical, cylindrical, and cubic shapes. Pulse basis function results are compared to results by other methods.
CSIR Research Space (South Africa)
Bogaers, Alfred EJ
2016-10-01
Full Text Available words, gB = [ φBA PB ] [ MAA PA P TA 0 ]−1 [ gA 0 ] . (15) NAME: DEFINITION C0 compactly supported piecewise polynomial (C0): (1− (||x|| /r))2+ C2 compactly supported piecewise polynomial (C2): (1− (||x|| /r))4+ (4 (||x|| /r) + 1) Thin-plate spline (TPS... a numerical comparison to Kriging and the moving least-squares method, see Krishnamurthy [16]). RBF interpolation is based on fitting a series of splines, or basis functions to interpolate information from one point cloud to another. Let us assume we...
International Nuclear Information System (INIS)
Szalewicz, K.; Monkhorst, H.J.
1986-04-01
A solution of the Coulomb three-body problem is the beginning point for calculations of sticking fractions in muon catalyzed fusion. The basis set is constructed from the following functions xi/sup r/n/sup s/e/sup - αxi - β n/R/sup -3 /2//H/sub eta/(x)exp(-x 2 /2), where xi and eta are elliptic coordinates of muon, R is the internuclear distance, H/sub eta/ is the nth Hermite polynomial, and x = γ (R-R/sub e/). The nonlinear parameters α, β, γ, and R/sub e/ are to be optimized. 21 refs., 1 tab
Cellular and molecular basis of chronic constipation: taking the functional/idiopathic label out.
Bassotti, Gabrio; Villanacci, Vincenzo; Creţoiu, Dragos; Creţoiu, Sanda Maria; Becheanu, Gabriel
2013-07-14
In recent years, the improvement of technology and the increase in knowledge have shifted several strongly held paradigms. This is particularly true in gastroenterology, and specifically in the field of the so-called "functional" or "idiopathic" disease, where conditions thought for decades to be based mainly on alterations of visceral perception or aberrant psychosomatic mechanisms have, in fact, be reconducted to an organic basis (or, at the very least, have shown one or more demonstrable abnormalities). This is particularly true, for instance, for irritable bowel syndrome, the prototype entity of "functional" gastrointestinal disorders, where low-grade inflammation of both mucosa and myenteric plexus has been repeatedly demonstrated. Thus, researchers have also investigated other functional/idiopathic gastrointestinal disorders, and found that some organic ground is present, such as abnormal neurotransmission and myenteric plexitis in esophageal achalasia and mucosal immune activation and mild eosinophilia in functional dyspepsia. Here we show evidence, based on our own and other authors' work, that chronic constipation has several abnormalities reconductable to alterations in the enteric nervous system, abnormalities mainly characterized by a constant decrease of enteric glial cells and interstitial cells of Cajal (and, sometimes, of enteric neurons). Thus, we feel that (at least some forms of) chronic constipation should no more be considered as a functional/idiopathic gastrointestinal disorder, but instead as a true enteric neuropathic abnormality.
Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions
Kraberger, Gernot J.; Triebl, Robert; Zingl, Manuel; Aichhorn, Markus
2017-10-01
We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended for spectral functions that are possibly negative in some frequency ranges. In that way, all matrix elements of the Green's function matrix can be analytically continued; we introduce a computationally cheap element-wise method for this purpose. However, this method cannot ensure important constraints on the mathematical properties of the resulting spectral functions, namely positive semidefiniteness and Hermiticity. To improve on this, we present a full matrix formalism, where all matrix elements are treated simultaneously. We show the capabilities of these methods using insulating and metallic dynamical mean-field theory (DMFT) Green's functions as test cases. Finally, we apply the methods to realistic material calculations for LaTiO3, where off-diagonal matrix elements in the Green's function appear due to the distorted crystal structure.
Hermite-distributed approximating functional-based formulation of ...
Indian Academy of Sciences (India)
2016-07-29
Jul 29, 2016 ... number of quantum mechanical methods are currently available in literature for handling a wide variety of dynamical problems [3,4]. In all cases ..... For the characterization of tunnelling time in two dimensions, we have ...
Cyclic graphs and Apery's theorem
International Nuclear Information System (INIS)
Sorokin, V N
2002-01-01
This is a survey of results about the behaviour of Hermite-Pade approximants for graphs of Markov functions, and a survey of interpolation problems leading to Apery's result about the irrationality of the value ζ(3) of the Riemann zeta function. The first example is given of a cyclic graph for which the Hermite-Pade problem leads to Apery's theorem. Explicit formulae for solutions are obtained, namely, Rodrigues' formulae and integral representations. The asymptotic behaviour of the approximants is studied, and recurrence formulae are found
Kolmann, Stephen J.; Jordan, Meredith J. T.
2010-02-01
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol-1 at the CCSD(T)/6-31G∗ level of theory, has a 4 kJ mol-1 dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol-1 lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol-1 lower in energy at the CCSD(T)/6-31G∗ level of theory. Ideally, for sub-kJ mol-1 thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
Kolmann, Stephen J; Jordan, Meredith J T
2010-02-07
One of the largest remaining errors in thermochemical calculations is the determination of the zero-point energy (ZPE). The fully coupled, anharmonic ZPE and ground state nuclear wave function of the SSSH radical are calculated using quantum diffusion Monte Carlo on interpolated potential energy surfaces (PESs) constructed using a variety of method and basis set combinations. The ZPE of SSSH, which is approximately 29 kJ mol(-1) at the CCSD(T)/6-31G* level of theory, has a 4 kJ mol(-1) dependence on the treatment of electron correlation. The anharmonic ZPEs are consistently 0.3 kJ mol(-1) lower in energy than the harmonic ZPEs calculated at the Hartree-Fock and MP2 levels of theory, and 0.7 kJ mol(-1) lower in energy at the CCSD(T)/6-31G* level of theory. Ideally, for sub-kJ mol(-1) thermochemical accuracy, ZPEs should be calculated using correlated methods with as big a basis set as practicable. The ground state nuclear wave function of SSSH also has significant method and basis set dependence. The analysis of the nuclear wave function indicates that SSSH is localized to a single symmetry equivalent global minimum, despite having sufficient ZPE to be delocalized over both minima. As part of this work, modifications to the interpolated PES construction scheme of Collins and co-workers are presented.
International Nuclear Information System (INIS)
R.J. Garrett
2002-01-01
As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities
Energy Technology Data Exchange (ETDEWEB)
R.J. Garrett
2002-01-14
As part of the internal Integrated Safety Management Assessment verification process, it was determined that there was a lack of documentation that summarizes the safety basis of the current Yucca Mountain Project (YMP) site characterization activities. It was noted that a safety basis would make it possible to establish a technically justifiable graded approach to the implementation of the requirements identified in the Standards/Requirements Identification Document. The Standards/Requirements Identification Documents commit a facility to compliance with specific requirements and, together with the hazard baseline documentation, provide a technical basis for ensuring that the public and workers are protected. This Safety Basis Report has been developed to establish and document the safety basis of the current site characterization activities, establish and document the hazard baseline, and provide the technical basis for identifying structures, systems, and components (SSCs) that perform functions necessary to protect the public, the worker, and the environment from hazards unique to the YMP site characterization activities. This technical basis for identifying SSCs serves as a grading process for the implementation of programs such as Conduct of Operations (DOE Order 5480.19) and the Suspect/Counterfeit Items Program. In addition, this report provides a consolidated summary of the hazards analyses processes developed to support the design, construction, and operation of the YMP site characterization facilities and, therefore, provides a tool for evaluating the safety impacts of changes to the design and operation of the YMP site characterization activities.
Integral approximants for functions of higher monodromic dimension
Energy Technology Data Exchange (ETDEWEB)
Baker, G.A. Jr.
1987-01-01
In addition to the description of multiform, locally analytic functions as covering a many sheeted version of the complex plane, Riemann also introduced the notion of considering them as describing a space whose ''monodromic'' dimension is the number of linearly independent coverings by the monogenic analytic function at each point of the complex plane. I suggest that this latter concept is natural for integral approximants (sub-class of Hermite-Pade approximants) and discuss results for both ''horizontal'' and ''diagonal'' sequences of approximants. Some theorems are now available in both cases and make clear the natural domain of convergence of the horizontal sequences is a disk centered on the origin and that of the diagonal sequences is a suitably cut complex-plane together with its identically cut pendant Riemann sheets. Some numerical examples have also been computed.
Design and Modeling of RF Power Amplifiers with Radial Basis Function Artificial Neural Networks
Ali Reza Zirak; Sobhan Roshani
2016-01-01
A radial basis function (RBF) artificial neural network model for a designed high efficiency radio frequency class-F power amplifier (PA) is presented in this paper. The presented amplifier is designed at 1.8 GHz operating frequency with 12 dB of gain and 36 dBm of 1dB output compression point. The obtained power added efficiency (PAE) for the presented PA is 76% under 26 dBm input power. The proposed RBF model uses input and DC power of the PA as inputs variables and considers output power a...
DEFF Research Database (Denmark)
Lee, Kyo-Beum; Bae, C.H.; Blaabjerg, Frede
2005-01-01
A scheme to estimate the moment of inertia in a servo motor drive system at very low speed is proposed. The typical speed estimation scheme used in most servo systems operated at low speed is highly sensitive to variations in the moment of inertia. An observer that uses a radial basis function...
International Nuclear Information System (INIS)
Nanda, Vikas; Kant, Niti
2014-01-01
Enhanced and early relativistic self-focusing of Hermite-cosh-Gaussian (HChG) beam in the plasmas under density transition has been investigated theoretically using Wentzel-Kramers-Brillouin and paraxial ray approximation for mode indices m=0, 1, and 2. The variation of beam width parameter with normalized propagation distance for m=0, 1, and 2 is reported, and it is observed that strong self-focusing occurs as the HChG beam propagates deeper inside the nonlinear medium as spot size shrinks due to highly dense plasmas and the results are presented graphically. A comparative study between self-focusing of HChG beam in the presence and absence of plasmas density transition is reported. The dependency of beam width parameter on the normalized propagation distance for different values of decentered parameter “b” has also been presented graphically. For m=0 and 1, strong self-focusing is reported for b=1.8, and for m=2 and b=1.8, beam gets diffracted. The results obtained indicate the dependency of the self-focusing of the HChG beam on the selected values of decentered parameter. Moreover, proper selection of decentered parameter results strong self-focusing of HChG beam. Stronger self-focusing of laser beam is observed due to the presence of plasma density transition which might be very useful in the applications like the generation of inertial fusion energy driven by lasers, laser driven accelerators, etc
Energy Technology Data Exchange (ETDEWEB)
Nanda, Vikas; Kant, Niti, E-mail: nitikant@yahoo.com [Department of Physics, Lovely Professional University, Phagwara 144411, Punjab (India)
2014-04-15
Enhanced and early relativistic self-focusing of Hermite-cosh-Gaussian (HChG) beam in the plasmas under density transition has been investigated theoretically using Wentzel-Kramers-Brillouin and paraxial ray approximation for mode indices m=0, 1, and 2. The variation of beam width parameter with normalized propagation distance for m=0, 1, and 2 is reported, and it is observed that strong self-focusing occurs as the HChG beam propagates deeper inside the nonlinear medium as spot size shrinks due to highly dense plasmas and the results are presented graphically. A comparative study between self-focusing of HChG beam in the presence and absence of plasmas density transition is reported. The dependency of beam width parameter on the normalized propagation distance for different values of decentered parameter “b” has also been presented graphically. For m=0 and 1, strong self-focusing is reported for b=1.8, and for m=2 and b=1.8, beam gets diffracted. The results obtained indicate the dependency of the self-focusing of the HChG beam on the selected values of decentered parameter. Moreover, proper selection of decentered parameter results strong self-focusing of HChG beam. Stronger self-focusing of laser beam is observed due to the presence of plasma density transition which might be very useful in the applications like the generation of inertial fusion energy driven by lasers, laser driven accelerators, etc.
Brandenburg, Jan Gerit; Alessio, Maristella; Civalleri, Bartolomeo; Peintinger, Michael F; Bredow, Thomas; Grimme, Stefan
2013-09-26
We extend the previously developed geometrical correction for the inter- and intramolecular basis set superposition error (gCP) to periodic density functional theory (DFT) calculations. We report gCP results compared to those from the standard Boys-Bernardi counterpoise correction scheme and large basis set calculations. The applicability of the method to molecular crystals as the main target is tested for the benchmark set X23. It consists of 23 noncovalently bound crystals as introduced by Johnson et al. (J. Chem. Phys. 2012, 137, 054103) and refined by Tkatchenko et al. (J. Chem. Phys. 2013, 139, 024705). In order to accurately describe long-range electron correlation effects, we use the standard atom-pairwise dispersion correction scheme DFT-D3. We show that a combination of DFT energies with small atom-centered basis sets, the D3 dispersion correction, and the gCP correction can accurately describe van der Waals and hydrogen-bonded crystals. Mean absolute deviations of the X23 sublimation energies can be reduced by more than 70% and 80% for the standard functionals PBE and B3LYP, respectively, to small residual mean absolute deviations of about 2 kcal/mol (corresponding to 13% of the average sublimation energy). As a further test, we compute the interlayer interaction of graphite for varying distances and obtain a good equilibrium distance and interaction energy of 6.75 Å and -43.0 meV/atom at the PBE-D3-gCP/SVP level. We fit the gCP scheme for a recently developed pob-TZVP solid-state basis set and obtain reasonable results for the X23 benchmark set and the potential energy curve for water adsorption on a nickel (110) surface.
Czech Academy of Sciences Publication Activity Database
Bucha, B.; Bezděk, Aleš; Sebera, Josef; Janak, J.
2015-01-01
Roč. 36, č. 6 (2015), s. 773-801 ISSN 0169-3298 R&D Projects: GA ČR GA13-36843S Grant - others:SAV(SK) VEGA 1/0954/15 Institutional support: RVO:67985815 Keywords : spherical radial basis functions * spherical harmonics * geopotential Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 3.622, year: 2015
Yoshida, Ryuta; Naruse, Tohru
2016-07-20
A new rhizocephalan species, Peltogaster unigibba n. sp., is described from the host hermit crab, Pagurixus boninensis (Melin, 1939), from the Bonin Islands, Japan. Of the16 known species of Peltogaster now currently recognised, P. unigibba n. sp., and P. contorta Boschma, 1958 share a left lobe that projects beyond the mantle aperture. The two species can be distinguished from one another by the position of the opening of the mantle aperture. The new species most closely resembles P. naushonensis Reinhard, 1946 in its internal structure, but clearly differs in the relative length of the colleteric glands. Peltogaster unigibba n. sp. represents the first record of a rhizocephalan from the oceanic Bonin Islands, and the second record of a rhizocephalan from an oceanic island in the northern hemisphere.
Big geo data surface approximation using radial basis functions: A comparative study
Majdisova, Zuzana; Skala, Vaclav
2017-12-01
Approximation of scattered data is often a task in many engineering problems. The Radial Basis Function (RBF) approximation is appropriate for big scattered datasets in n-dimensional space. It is a non-separable approximation, as it is based on the distance between two points. This method leads to the solution of an overdetermined linear system of equations. In this paper the RBF approximation methods are briefly described, a new approach to the RBF approximation of big datasets is presented, and a comparison for different Compactly Supported RBFs (CS-RBFs) is made with respect to the accuracy of the computation. The proposed approach uses symmetry of a matrix, partitioning the matrix into blocks and data structures for storage of the sparse matrix. The experiments are performed for synthetic and real datasets.
International Nuclear Information System (INIS)
Sergeev, Alexey; Jovanovic, Raka; Kais, Sabre; Alharbi, Fahhad H
2016-01-01
We consider the density of a fermionic system as a functional of the potential, in one-dimensional case, where it is approximated by the Thomas–Fermi term plus semiclassical corrections through the gradient expansion. We compare this asymptotic series with the exact answer for the case of the harmonic oscillator and the Morse potential. It is found that the leading (Thomas–Fermi) term is in agreement with the exact density, but the subdominant term does not agree in terms of the asymptotic behavior because of the presence of oscillations in the exact density, but their absence in the gradient expansion. However, after regularization of the density by convolution with a Gaussian, the agreement can be established even in the subdominant term. Moreover, it is found that the expansion is always divergent, and its terms grow proportionally to the factorial function of the order, similar to the well-known divergence of perturbation series in field theory and the quantum anharmonic oscillator. Padé–Hermite approximants allow summation of the series, and one of the branches of the approximants agrees with the density. (paper)
Radial basis functions in mathematical modelling of flow boiling in minichannels
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Hożejowska Sylwia
2017-01-01
Full Text Available The paper addresses heat transfer processes in flow boiling in a vertical minichannel of 1.7 mm depth with a smooth heated surface contacting fluid. The heated element for FC-72 flowing in a minichannel was a 0.45 mm thick plate made of Haynes-230 alloy. An infrared camera positioned opposite the central, axially symmetric part of the channel measured the plate temperature. K-type thermocouples and pressure converters were installed at the inlet and outlet of the minichannel. In the study radial basis functions were used to solve a problem concerning heat transfer in a heated plate supplied with the controlled direct current. According to the model assumptions, the problem is treated as twodimensional and governed by the Poisson equation. The aim of the study lies in determining the temperature field and the heat transfer coefficient. The results were verified by comparing them with those obtained by the Trefftz method.
Upset Prediction in Friction Welding Using Radial Basis Function Neural Network
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Wei Liu
2013-01-01
Full Text Available This paper addresses the upset prediction problem of friction welded joints. Based on finite element simulations of inertia friction welding (IFW, a radial basis function (RBF neural network was developed initially to predict the final upset for a number of welding parameters. The predicted joint upset by the RBF neural network was compared to validated finite element simulations, producing an error of less than 8.16% which is reasonable. Furthermore, the effects of initial rotational speed and axial pressure on the upset were investigated in relation to energy conversion with the RBF neural network. The developed RBF neural network was also applied to linear friction welding (LFW and continuous drive friction welding (CDFW. The correlation coefficients of RBF prediction for LFW and CDFW were 0.963 and 0.998, respectively, which further suggest that an RBF neural network is an effective method for upset prediction of friction welded joints.
Li, Bo; Rui, Xiaoting
2018-01-01
Poor dispersion characteristics of rockets due to the vibration of Multiple Launch Rocket System (MLRS) have always restricted the MLRS development for several decades. Vibration control is a key technique to improve the dispersion characteristics of rockets. For a mechanical system such as MLRS, the major difficulty in designing an appropriate control strategy that can achieve the desired vibration control performance is to guarantee the robustness and stability of the control system under the occurrence of uncertainties and nonlinearities. To approach this problem, a computed torque controller integrated with a radial basis function neural network is proposed to achieve the high-precision vibration control for MLRS. In this paper, the vibration response of a computed torque controlled MLRS is described. The azimuth and elevation mechanisms of the MLRS are driven by permanent magnet synchronous motors and supposed to be rigid. First, the dynamic model of motor-mechanism coupling system is established using Lagrange method and field-oriented control theory. Then, in order to deal with the nonlinearities, a computed torque controller is designed to control the vibration of the MLRS when it is firing a salvo of rockets. Furthermore, to compensate for the lumped uncertainty due to parametric variations and un-modeled dynamics in the design of the computed torque controller, a radial basis function neural network estimator is developed to adapt the uncertainty based on Lyapunov stability theory. Finally, the simulated results demonstrate the effectiveness of the proposed control system and show that the proposed controller is robust with regard to the uncertainty.
Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.
2012-10-01
We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.
Meshfree Local Radial Basis Function Collocation Method with Image Nodes
Energy Technology Data Exchange (ETDEWEB)
Baek, Seung Ki; Kim, Minjae [Pukyong National University, Busan (Korea, Republic of)
2017-07-15
We numerically solve two-dimensional heat diffusion problems by using a simple variant of the meshfree local radial-basis function (RBF) collocation method. The main idea is to include an additional set of sample nodes outside the problem domain, similarly to the method of images in electrostatics, to perform collocation on the domain boundaries. We can thereby take into account the temperature profile as well as its gradients specified by boundary conditions at the same time, which holds true even for a node where two or more boundaries meet with different boundary conditions. We argue that the image method is computationally efficient when combined with the local RBF collocation method, whereas the addition of image nodes becomes very costly in case of the global collocation. We apply our modified method to a benchmark test of a boundary value problem, and find that this simple modification reduces the maximum error from the analytic solution significantly. The reduction is small for an initial value problem with simpler boundary conditions. We observe increased numerical instability, which has to be compensated for by a sufficient number of sample nodes and/or more careful parameter choices for time integration.
Response functions of a superlattice with a basis: A model for oxide superconductors
International Nuclear Information System (INIS)
Griffin, A.
1988-01-01
The new high-T/sub c/ oxide superconductors appear to be superlattice structures with a basis composed of metallic sheets as well as metallic chains. Using a simple free-electron-gas model for the sheets and chains, we obtain the dielectric function ε(q,ω) of such a multilayer system within the random-phase approximation (RPA). We give results valid for arbitrary wave vector q appropriate to sheets and chains (as in the orthorhombic phase of Y-Ba-Cu-O) as well as for two different kinds of sheets (such as may be present in the Bi-Ca-Sr-Cu-O superconductors). The occurrence of acoustic plasmons is a general phenomenon in such superlattices, as shown by an alternative formulation based on the exact response functions for the individual sheets and chains, in which only the interchain (sheet) Coulomb interaction is treated in the RPA. These results generalize the long-wavelength expressions recently given in the literature. We also briefly discuss the analogous results for two arrays of mutually perpendicular chains, such as found in Hg chain compounds
Mitri, F. G.
2016-10-01
Based on the angular spectrum decomposition method (ASDM), a nonparaxial solution for the Hermite-Gaussian (HG m ) light-sheet beam of any order m is derived. The beam-shape coefficients (BSCs) are expressed in a compact form and computed using the standard Simpson’s rule for numerical integration. Subsequently, the analysis is extended to evaluate the longitudinal and transverse radiation forces as well as the spin torque on an absorptive dielectric cylindrical particle in 2D without any restriction to a specific range of frequencies. The dynamics of the cylindrical particle are also examined based on Newton’s second law of motion. The numerical results show that a Rayleigh or Mie cylindrical particle can be trapped, pulled or propelled in the optical field depending on its initial position in the cross-sectional plane of the HG m light-sheet. Moreover, negative or positive axial spin torques can arise depending on the choice of the non-dimensional size parameter ka (where k is the wavenumber and a is the radius of the cylinder) and the location of the absorptive cylinder in the beam. This means that the HG m light-sheet beam can induce clockwise or anti-clockwise rotations depending on its shift from the center of the cylinder. In addition, individual vortex behavior can arise in the cross-sectional plane of wave propagation. The present analysis presents an analytical model to predict the optical radiation forces and torque induced by a HG m light-sheet beam on an absorptive cylinder for applications in optical light-sheet tweezers, optical micro-machines, particle manipulation and opto-fluidics to name a few areas of research.
Radial Basis Function (RBF Interpolation and Investigating its Impact on Rainfall Duration Mapping
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Hassan Derakhshan
2012-01-01
Full Text Available The missing data in database must be reproduced primarily by appropriate interpolation techniques. Radial basis function (RBF interpolators can play a significant role in data completion of precipitation mapping. Five RBF techniques were engaged to be employed in compensating the missing data in event-wised dataset of Upper Paramatta River Catchment in the western suburbs of Sydney, Australia. The related shape parameter, C, of RBFs was optimized for first event of database during a cross-validation process. The Normalized mean square error (NMSE, percent average estimation error (PAEE and coefficient of determination (R2 were the statistics used as validation tools. Results showed that the multiquadric RBF technique with the least error, best suits compensation of the related database.
Solution to PDEs using radial basis function finite-differences (RBF-FD) on multiple GPUs
International Nuclear Information System (INIS)
Bollig, Evan F.; Flyer, Natasha; Erlebacher, Gordon
2012-01-01
This paper presents parallelization strategies for the radial basis function-finite difference (RBF-FD) method. As a generalized finite differencing scheme, the RBF-FD method functions without the need for underlying meshes to structure nodes. It offers high-order accuracy approximation and scales as O(N) per time step, with N being with the total number of nodes. To our knowledge, this is the first implementation of the RBF-FD method to leverage GPU accelerators for the solution of PDEs. Additionally, this implementation is the first to span both multiple CPUs and multiple GPUs. OpenCL kernels target the GPUs and inter-processor communication and synchronization is managed by the Message Passing Interface (MPI). We verify our implementation of the RBF-FD method with two hyperbolic PDEs on the sphere, and demonstrate up to 9x speedup on a commodity GPU with unoptimized kernel implementations. On a high performance cluster, the method achieves up to 7x speedup for the maximum problem size of 27,556 nodes.
Doolittle, Emily L; Gingras, Bruno; Endres, Dominik M; Fitch, W Tecumseh
2014-11-18
Many human musical scales, including the diatonic major scale prevalent in Western music, are built partially or entirely from intervals (ratios between adjacent frequencies) corresponding to small-integer proportions drawn from the harmonic series. Scientists have long debated the extent to which principles of scale generation in human music are biologically or culturally determined. Data from animal "song" may provide new insights into this discussion. Here, by examining pitch relationships using both a simple linear regression model and a Bayesian generative model, we show that most songs of the hermit thrush (Catharus guttatus) favor simple frequency ratios derived from the harmonic (or overtone) series. Furthermore, we show that this frequency selection results not from physical constraints governing peripheral production mechanisms but from active selection at a central level. These data provide the most rigorous empirical evidence to date of a bird song that makes use of the same mathematical principles that underlie Western and many non-Western musical scales, demonstrating surprising convergence between human and animal "song cultures." Although there is no evidence that the songs of most bird species follow the overtone series, our findings add to a small but growing body of research showing that a preference for small-integer frequency ratios is not unique to humans. These findings thus have important implications for current debates about the origins of human musical systems and may call for a reevaluation of existing theories of musical consonance based on specific human vocal characteristics.
Hermit crab (Decapoda, Anomura attraction to dead gastropod baits in an infralittoral algae bank
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Juarez C. B. Pezzuti
2002-06-01
Full Text Available Hermit crabs use gastropod shells as shelter and are adapted to follow chemical cues released from tissues of dead or injured gastropods as a way to find new and more adequate shells. The species composition, crab size, shell types adequacy and physical condition were compared between attracted individuals and crabs collected in previous samples. The previous sampling was carried out in five areas before each experiment. Then, five baits of crushed gastropods in nylon net bags were installed in these areas. Three samples were taken at 30min intervals, capturing all crabs within a circle of 60cm diameter. Attraction of hermit crabs was tested for four different gastropod baits to verify specificity of the chemical cues. Clibanarius antillensis, Pagurus brevidactylus and Paguristes tortugae were collected in the study area. Pagurus brevidactylus, the smallest species, turned out to be more attracted than the 2 other species. The results showed that attracted crabs utilized more gastropod shell types than that collected in previous samples, however shell utilization pattern did not differ between them. Attracted animals were slightly smaller (shield length than those collected in the previous samples but did not present significant differences in shell adequacy and condition. The four experimental baits attracted the crabs in similar ways not indicating a specific response from the crabs. The fact that attracted animals were smaller suggested that the attraction to dead gastropods might enable the acquisition of a new and larger shell and, consequently, chains of shell exchange between the attracted crabs.Ermitões utilizam conchas de gastrópodes para abrigo. Conchas novas e mais adequadas podem ser encontradas pelos ermitões pois estes são atraídos por substâncias químicas liberadas pelos tecidos de gastrópodes feridos ou mortos. A adequação, condição e tipo das conchas e a composição de espécies e o tamanho dos ermitões foram
Chen, Zhaoxue; Chen, Hao
2014-01-01
A deconvolution method based on the Gaussian radial basis function (GRBF) interpolation is proposed. Both the original image and Gaussian point spread function are expressed as the same continuous GRBF model, thus image degradation is simplified as convolution of two continuous Gaussian functions, and image deconvolution is converted to calculate the weighted coefficients of two-dimensional control points. Compared with Wiener filter and Lucy-Richardson algorithm, the GRBF method has an obvious advantage in the quality of restored images. In order to overcome such a defect of long-time computing, the method of graphic processing unit multithreading or increasing space interval of control points is adopted, respectively, to speed up the implementation of GRBF method. The experiments show that based on the continuous GRBF model, the image deconvolution can be efficiently implemented by the method, which also has a considerable reference value for the study of three-dimensional microscopic image deconvolution.
International Nuclear Information System (INIS)
Calogero, F.
1978-01-01
Let zsub(j)(α, β) be the jth zero of the Jacobi polynomial J sub(n)sup(α,β)(z), and xsub(j) the jth zero of the Hermite polynomial Hsub(n)(x). Then, as t→infinity, zsub(j)(at,bt)=(b-a)/(b+a)+t sup(-1/2)c x sub(j)+t -1 4/3(n+1/2+xsub(j) 2 )(a-b)/(a+b) 2 +0(t sup(-3/2)), with c=(ab)sup(1/2) [(a+b)/2]sup(-3/2) a>0, b>0. This formula implies the limit relation n exclamation mark lim sub(t→infinity) [t sup(-n/2)J sub(n)sup(at,bt) ((b-a)/(b+a)+t sup(-1/2)x)] = [(a+b)c/4]sup(n) Hsub(n)(chi/c). (author)
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Ekkehard Krüger
2015-05-01
Full Text Available The paper presents the group theory of optimally-localized and symmetry-adapted Wannier functions in a crystal of any given space group G or magnetic group M. Provided that the calculated band structure of the considered material is given and that the symmetry of the Bloch functions at all of the points of symmetry in the Brillouin zone is known, the paper details whether or not the Bloch functions of particular energy bands can be unitarily transformed into optimally-localized Wannier functions symmetry-adapted to the space group G, to the magnetic group M or to a subgroup of G or M. In this context, the paper considers usual, as well as spin-dependent Wannier functions, the latter representing the most general definition of Wannier functions. The presented group theory is a review of the theory published by one of the authors (Ekkehard Krüger in several former papers and is independent of any physical model of magnetism or superconductivity. However, it is suggested to interpret the special symmetry of the optimally-localized Wannier functions in the framework of a nonadiabatic extension of the Heisenberg model, the nonadiabatic Heisenberg model. On the basis of the symmetry of the Wannier functions, this model of strongly-correlated localized electrons makes clear predictions of whether or not the system can possess superconducting or magnetic eigenstates.
Hutter, Jürg
2003-03-01
An efficient formulation of time-dependent linear response density functional theory for the use within the plane wave basis set framework is presented. The method avoids the transformation of the Kohn-Sham matrix into the canonical basis and references virtual orbitals only through a projection operator. Using a Lagrangian formulation nuclear derivatives of excited state energies within the Tamm-Dancoff approximation are derived. The algorithms were implemented into a pseudo potential/plane wave code and applied to the calculation of adiabatic excitation energies, optimized geometries and vibrational frequencies of three low lying states of formaldehyde. An overall good agreement with other time-dependent density functional calculations, multireference configuration interaction calculations and experimental data was found.
Pseudospectra in non-Hermitian quantum mechanics
Krejčiřík, D.; Siegl, P.; Tater, M.; Viola, J.
2015-10-01
We propose giving the mathematical concept of the pseudospectrum a central role in quantum mechanics with non-Hermitian operators. We relate pseudospectral properties to quasi-Hermiticity, similarity to self-adjoint operators, and basis properties of eigenfunctions. The abstract results are illustrated by unexpected wild properties of operators familiar from PT -symmetric quantum mechanics.
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Huaiqing Zhang
2014-01-01
Full Text Available The spectral leakage has a harmful effect on the accuracy of harmonic analysis for asynchronous sampling. This paper proposed a time quasi-synchronous sampling algorithm which is based on radial basis function (RBF interpolation. Firstly, a fundamental period is evaluated by a zero-crossing technique with fourth-order Newton’s interpolation, and then, the sampling sequence is reproduced by the RBF interpolation. Finally, the harmonic parameters can be calculated by FFT on the synchronization of sampling data. Simulation results showed that the proposed algorithm has high accuracy in measuring distorted and noisy signals. Compared to the local approximation schemes as linear, quadric, and fourth-order Newton interpolations, the RBF is a global approximation method which can acquire more accurate results while the time-consuming is about the same as Newton’s.
International Nuclear Information System (INIS)
Blanco, M.; Heller, E.J.
1985-01-01
A new Cartesian basis set is defined that is suitable for the representation of molecular vibration-rotation bound states. The Cartesian basis functions are superpositions of semiclassical states generated through the use of classical trajectories that conform to the intrinsic dynamics of the molecule. Although semiclassical input is employed, the method becomes ab initio through the standard matrix diagonalization variational method. Special attention is given to classical-quantum correspondences for angular momentum. In particular, it is shown that the use of semiclassical information preferentially leads to angular momentum eigenstates with magnetic quantum number Vertical BarMVertical Bar equal to the total angular momentum J. The present method offers a reliable technique for representing highly excited vibrational-rotational states where perturbation techniques are no longer applicable
Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas
2015-08-07
A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods
International Nuclear Information System (INIS)
Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas
2015-01-01
A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT
International Nuclear Information System (INIS)
Havu, V.; Blum, V.; Havu, P.; Scheffler, M.
2009-01-01
We consider the problem of developing O(N) scaling grid-based operations needed in many central operations when performing electronic structure calculations with numeric atom-centered orbitals as basis functions. We outline the overall formulation of localized algorithms, and specifically the creation of localized grid batches. The choice of the grid partitioning scheme plays an important role in the performance and memory consumption of the grid-based operations. Three different top-down partitioning methods are investigated, and compared with formally more rigorous yet much more expensive bottom-up algorithms. We show that a conceptually simple top-down grid partitioning scheme achieves essentially the same efficiency as the more rigorous bottom-up approaches.
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Alessandro Danielis
2015-01-01
Full Text Available The processing of intensity data from terrestrial laser scanners has attracted considerable attention in recent years. Accurate calibrated intensity could give added value for laser scanning campaigns, for example, in producing faithful 3D colour models of real targets and classifying easier and more reliable automatic tools. In cultural heritage area, the purely geometric information provided by the vast majority of currently available scanners is not enough for most applications, where indeed accurate colorimetric data is needed. This paper presents a remote calibration method for self-registered RGB colour data provided by a 3D tristimulus laser scanner prototype. Such distinguishing colour information opens new scenarios and problems for remote colorimetry. Using piecewise cubic Hermite polynomials, a quadratic model with nonpolynomial terms for reducing inaccuracies occurring in remote colour measurement is implemented. Colorimetric data recorded by the prototype on certified diffusive targets is processed for generating a remote Lambertian model used for assessing the accuracy of the proposed algorithm. Results concerning laser scanner digitizations of artworks are reported to confirm the effectiveness of the method.
Komai, Tomoyuki; Chan, Tin-Yam
2016-03-09
Collections made during the recent expeditions to Papua New Guinea ("BIOPAPUA", 2010; "PAPUA NIUGINI", 2012) yielded a total of 12 species from the "symmetrical" hermit crab family Pylochelidae, including two new to science: Bathycheles incisus (Forest, 1987), B. integer (Forest, 1987), Cheiroplatea laticauda Boas, 1926, C. pumicicola Forest, 1987, C. rotundioculus n. sp., Pylocheles mortensenii Boas, 1926, and Xylocheles macrops (Forest, 1987) (Pylochelinae); Parapylocheles scorpio (Alcock, 1894), Trizocheles manningi Forest, 1987, T. moosai Forest, 1987, T. sakaii Forest, 1987, and T. spinidigitus n. sp. (Trizochelinae). Affinities of the two new species are discussed. Parapylocheles scorpio, Trizocheles manningi and T. sakaii are recorded from the South Pacific for the first time. Revised identification keys to species of Cheiroplatea and Trizocheles are provided.
International Nuclear Information System (INIS)
Oda, Ryuichi; Ishida, Shin; Wada, Hiroaki; Yamada, Kenji; Sekiguchi, Motoo
1999-01-01
We examine mass spectra and wave functions of the nn-bar, cc-bar and bb-bar meson systems within the framework of the covariant oscillator quark model with the boosted LS-coupling scheme. We solve nonperturbatively an eigenvalue problem for the squared-mass operator, which incorporates the four-dimensional color-Coulomb-type interaction, by taking a set of covariant oscillator wave functions as an expansion basis. We obtain mass spectra of these meson systems, which reproduce quite well their experimental behavior. The resultant manifestly covariant wave functions, which are applicable to analyses of various reaction phenomena, are given. Our results seem to suggest that the present model may be considered effectively as a covariant version of the nonrelativistic linear-plus-Coulomb potential quark model. (author)
International Nuclear Information System (INIS)
Vrankar, L.; Turk, G.; Runovc, F.; Kansa, E.J.
2006-01-01
Many heat-transfer problems involve a change of phase of material due to solidification or melting. Applications include: the safety studies of nuclear reactors (molten core concrete interaction), the drilling of high ice-content soil, the storage of thermal energy, etc. These problems are often called Stefan's or moving boundary value problems. Mathematically, the interface motion is expressed implicitly in an equation for the conservation of thermal energy at the interface (Stefan's conditions). This introduces a non-linear character to the system which treats each problem somewhat uniquely. The exact solution of phase change problems is limited exclusively to the cases in which e.g. the heat transfer regions are infinite or semi-infinite one dimensional-space. Therefore, solution is obtained either by approximate analytical solution or by numerical methods. Finite-difference methods and finite-element techniques have been used extensively for numerical solution of moving boundary problems. Recently, the numerical methods have focused on the idea of using a mesh-free methodology for the numerical solution of partial differential equations based on radial basis functions. In our case we will study solid-solid transformation. The numerical solutions will be compared with analytical solutions. Actually, in our work we will examine usefulness of radial basis functions (especially multiquadric-MQ) for one-dimensional Stefan's problems. The position of the moving boundary will be simulated by moving grid method. The resultant system of RBF-PDE will be solved by affine space decomposition. (author)
Drescher, A. C.; Gadgil, A. J.; Price, P. N.; Nazaroff, W. W.
Optical remote sensing and iterative computed tomography (CT) can be applied to measure the spatial distribution of gaseous pollutant concentrations. We conducted chamber experiments to test this combination of techniques using an open path Fourier transform infrared spectrometer (OP-FTIR) and a standard algebraic reconstruction technique (ART). Although ART converged to solutions that showed excellent agreement with the measured ray-integral concentrations, the solutions were inconsistent with simultaneously gathered point-sample concentration measurements. A new CT method was developed that combines (1) the superposition of bivariate Gaussians to represent the concentration distribution and (2) a simulated annealing minimization routine to find the parameters of the Gaussian basis functions that result in the best fit to the ray-integral concentration data. This method, named smooth basis function minimization (SBFM), generated reconstructions that agreed well, both qualitatively and quantitatively, with the concentration profiles generated from point sampling. We present an analysis of two sets of experimental data that compares the performance of ART and SBFM. We conclude that SBFM is a superior CT reconstruction method for practical indoor and outdoor air monitoring applications.
Dynamical pruning of static localized basis sets in time-dependent quantum dynamics
McCormack, D.A.
2006-01-01
We investigate the viability of dynamical pruning of localized basis sets in time-dependent quantum wave packet methods. Basis functions that have a very small population at any given time are removed from the active set. The basis functions themselves are time independent, but the set of active
Simple and efficient LCAO basis sets for the diffuse states in carbon nanostructures.
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.
Czech Academy of Sciences Publication Activity Database
Li, F.; Wang, L.; Zhao, J.; Xie, J. R. H.; Riley, Kevin Eugene; Chen, Z.
2011-01-01
Roč. 130, 2/3 (2011), s. 341-352 ISSN 1432-881X Institutional research plan: CEZ:AV0Z40550506 Keywords : water cluster * density functional theory * MP2 . CCSD(T) * basis set * relative energies Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.162, year: 2011
S-pairing in neutron matter: I. Correlated basis function theory
International Nuclear Information System (INIS)
Fabrocini, Adelchi; Fantoni, Stefano; Illarionov, Alexey Yu.; Schmidt, Kevin E.
2008-01-01
S-wave pairing in neutron matter is studied within an extension of correlated basis function (CBF) theory to include the strong, short range spatial correlations due to realistic nuclear forces and the pairing correlations of the Bardeen, Cooper and Schrieffer (BCS) approach. The correlation operator contains central as well as tensor components. The correlated BCS scheme of [S. Fantoni, Nucl. Phys. A 363 (1981) 381], developed for simple scalar correlations, is generalized to this more realistic case. The energy of the correlated pair condensed phase of neutron matter is evaluated at the two-body order of the cluster expansion, but considering the one-body density and the corresponding energy vertex corrections at the first order of the Power Series expansion. Based on these approximations, we have derived a system of Euler equations for the correlation factors and for the BCS amplitudes, resulting in correlated nonlinear gap equations, formally close to the standard BCS ones. These equations have been solved for the momentum independent part of several realistic potentials (Reid, Argonne v 14 and Argonne v 8 ' ) to stress the role of the tensor correlations and of the many-body effects. Simple Jastrow correlations and/or the lack of the density corrections enhance the gap with respect to uncorrelated BCS, whereas it is reduced according to the strength of the tensor interaction and following the inclusion of many-body contributions
Efficient computation of smoothing splines via adaptive basis sampling
Ma, Ping
2015-06-24
© 2015 Biometrika Trust. Smoothing splines provide flexible nonparametric regression estimators. However, the high computational cost of smoothing splines for large datasets has hindered their wide application. In this article, we develop a new method, named adaptive basis sampling, for efficient computation of smoothing splines in super-large samples. Except for the univariate case where the Reinsch algorithm is applicable, a smoothing spline for a regression problem with sample size n can be expressed as a linear combination of n basis functions and its computational complexity is generally O(n^{3}). We achieve a more scalable computation in the multivariate case by evaluating the smoothing spline using a smaller set of basis functions, obtained by an adaptive sampling scheme that uses values of the response variable. Our asymptotic analysis shows that smoothing splines computed via adaptive basis sampling converge to the true function at the same rate as full basis smoothing splines. Using simulation studies and a large-scale deep earth core-mantle boundary imaging study, we show that the proposed method outperforms a sampling method that does not use the values of response variables.
Efficient computation of smoothing splines via adaptive basis sampling
Ma, Ping; Huang, Jianhua Z.; Zhang, Nan
2015-01-01
© 2015 Biometrika Trust. Smoothing splines provide flexible nonparametric regression estimators. However, the high computational cost of smoothing splines for large datasets has hindered their wide application. In this article, we develop a new method, named adaptive basis sampling, for efficient computation of smoothing splines in super-large samples. Except for the univariate case where the Reinsch algorithm is applicable, a smoothing spline for a regression problem with sample size n can be expressed as a linear combination of n basis functions and its computational complexity is generally O(n^{3}). We achieve a more scalable computation in the multivariate case by evaluating the smoothing spline using a smaller set of basis functions, obtained by an adaptive sampling scheme that uses values of the response variable. Our asymptotic analysis shows that smoothing splines computed via adaptive basis sampling converge to the true function at the same rate as full basis smoothing splines. Using simulation studies and a large-scale deep earth core-mantle boundary imaging study, we show that the proposed method outperforms a sampling method that does not use the values of response variables.
Directory of Open Access Journals (Sweden)
Ruslan Skrynkovskyy
2017-12-01
Full Text Available The purpose of the article is to improve the model of the enterprise (institution, organization management process on the basis of general management functions. The graphic model of the process of management according to the process-structured management is presented. It has been established that in today's business environment, the model of the management process should include such general management functions as: 1 controlling the achievement of results; 2 planning based on the main goal; 3 coordination and corrective actions (in the system of organization of work and production; 4 action as a form of act (conscious, volitional, directed; 5 accounting system (accounting, statistical, operational-technical and managerial; 6 diagnosis (economic, legal with such subfunctions as: identification of the state and capabilities; analysis (economic, legal, systemic with argumentation; assessment of the state, trends and prospects of development. The prospect of further research in this direction is: 1 the formation of a system of interrelation of functions and management methods, taking into account the presented research results; 2 development of the model of effective and efficient communication business process of the enterprise.
Composite fermion basis for two-component Bose gases
Meyer, Marius; Liabotro, Ola
The composite fermion (CF) construction is known to produce wave functions that are not necessarily orthogonal, or even linearly independent, after projection. While usually not a practical issue in the quantum Hall regime, we have previously shown that it presents a technical challenge for rotating Bose gases with low angular momentum. These are systems where the CF approach yield surprisingly good approximations to the exact eigenstates of weak short-range interactions, and so solving the problem of linearly dependent wave functions is of interest. It can also be useful for studying CF excitations for fermions. Here we present several ways of constructing a basis for the space of ``simple CF states'' for two-component rotating Bose gases in the lowest Landau level, and prove that they all give a basis. Using the basis, we study the structure of the lowest-lying state using so-called restricted wave functions. We also examine the scaling of the overlap between the exact and CF wave functions at the maximal possible angular momentum for simple states. This work was financially supported by the Research Council of Norway.
THE ALGORITHM OF MESHFREE METHOD OF RADIAL BASIS FUNCTIONS IN TASKS OF UNDERGROUND HYDROMECHANICS
Directory of Open Access Journals (Sweden)
N. V. Medvid
2016-01-01
Full Text Available A Mathematical model of filtering consolidation in the body of soil dam with conduit andwashout zone in two-dimensional case is considered. The impact of such technogenic factors as temperature, salt concentration, subsidence of upper boundary and interior points of the dam with time is taken into account. The software to automate the calculation of numerical solution of the boundary problem by radial basis functions has been created, which enables to conduct numerical experiments by varying the input parameters and shape. The influence of the presence of conduit and washout zone on the pressure, temperature and concentration of salts in the dam body at different time intervals isinvestigated. A number of numerical experiments is conducted and the analysis of dam accidents is performed.
Bubin, Sergiy; Adamowicz, Ludwik
2006-06-14
In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programmed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.
Bubin, Sergiy; Adamowicz, Ludwik
2006-06-01
In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.
Automatic Curve Fitting Based on Radial Basis Functions and a Hierarchical Genetic Algorithm
Directory of Open Access Journals (Sweden)
G. Trejo-Caballero
2015-01-01
Full Text Available Curve fitting is a very challenging problem that arises in a wide variety of scientific and engineering applications. Given a set of data points, possibly noisy, the goal is to build a compact representation of the curve that corresponds to the best estimate of the unknown underlying relationship between two variables. Despite the large number of methods available to tackle this problem, it remains challenging and elusive. In this paper, a new method to tackle such problem using strictly a linear combination of radial basis functions (RBFs is proposed. To be more specific, we divide the parameter search space into linear and nonlinear parameter subspaces. We use a hierarchical genetic algorithm (HGA to minimize a model selection criterion, which allows us to automatically and simultaneously determine the nonlinear parameters and then, by the least-squares method through Singular Value Decomposition method, to compute the linear parameters. The method is fully automatic and does not require subjective parameters, for example, smooth factor or centre locations, to perform the solution. In order to validate the efficacy of our approach, we perform an experimental study with several tests on benchmarks smooth functions. A comparative analysis with two successful methods based on RBF networks has been included.
Anacker, Tony; Hill, J Grant; Friedrich, Joachim
2016-04-21
Minimal basis sets, denoted DSBSenv, based on the segmented basis sets of Ahlrichs and co-workers have been developed for use as environmental basis sets for the domain-specific basis set (DSBS) incremental scheme with the aim of decreasing the CPU requirements of the incremental scheme. The use of these minimal basis sets within explicitly correlated (F12) methods has been enabled by the optimization of matching auxiliary basis sets for use in density fitting of two-electron integrals and resolution of the identity. The accuracy of these auxiliary sets has been validated by calculations on a test set containing small- to medium-sized molecules. The errors due to density fitting are about 2-4 orders of magnitude smaller than the basis set incompleteness error of the DSBSenv orbital basis sets. Additional reductions in computational cost have been tested with the reduced DSBSenv basis sets, in which the highest angular momentum functions of the DSBSenv auxiliary basis sets have been removed. The optimized and reduced basis sets are used in the framework of the domain-specific basis set of the incremental scheme to decrease the computation time without significant loss of accuracy. The computation times and accuracy of the previously used environmental basis and that optimized in this work have been validated with a test set of medium- to large-sized systems. The optimized and reduced DSBSenv basis sets decrease the CPU time by about 15.4% and 19.4% compared with the old environmental basis and retain the accuracy in the absolute energy with standard deviations of 0.99 and 1.06 kJ/mol, respectively.
Linear response calculation using the canonical-basis TDHFB with a schematic pairing functional
International Nuclear Information System (INIS)
Ebata, Shuichiro; Nakatsukasa, Takashi; Yabana, Kazuhiro
2011-01-01
A canonical-basis formulation of the time-dependent Hartree-Fock-Bogoliubov (TDHFB) theory is obtained with an approximation that the pair potential is assumed to be diagonal in the time-dependent canonical basis. The canonical-basis formulation significantly reduces the computational cost. We apply the method to linear-response calculations for even-even nuclei. E1 strength distributions for proton-rich Mg isotopes are systematically calculated. The calculation suggests strong Landau damping of giant dipole resonance for drip-line nuclei.
Quiney, H. M.; Glushkov, V. N.; Wilson, S.; Sabin,; Brandas, E
2001-01-01
A comparison is made of the accuracy achieved in finite difference and finite basis set approximations to the Dirac equation for the ground state of the hydrogen molecular ion. The finite basis set calculations are carried out using a distributed basis set of Gaussian functions the exponents and
Incomplete 2D Hermite polynomials
African Journals Online (AJOL)
user
(2008) obtained some implicit summation formulae for I2DHP by using differential ... In Shahwan (2009), the author derived generating functions of I2DHP, ... obtained here will be given an explicit group-theoretic interpretation instead of being.
Abdelkarim M. Ertiame; D. W. Yu; D. L. Yu; J. B. Gomm
2015-01-01
In this paper, a robust fault detection and isolation (FDI) scheme is developed to monitor a multivariable nonlinear chemical process called the Chylla-Haase polymerization reactor, when it is under the cascade PI control. The scheme employs a radial basis function neural network (RBFNN) in an independent mode to model the process dynamics, and using the weighted sum-squared prediction error as the residual. The Recursive Orthogonal Least Squares algorithm (ROLS) is emplo...
Kayri, Murat
2015-01-01
The objective of this study is twofold: (1) to investigate the factors that affect the success of university students by employing two artificial neural network methods (i.e., multilayer perceptron [MLP] and radial basis function [RBF]); and (2) to compare the effects of these methods on educational data in terms of predictive ability. The…
Spectrally Efficient OFDMA Lattice Structure via Toroidal Waveforms on the Time-Frequency Plane
Directory of Open Access Journals (Sweden)
Sultan Aldirmaz
2010-01-01
Full Text Available We investigate the performance of frequency division multiplexed (FDM signals, where multiple orthogonal Hermite-Gaussian carriers are used to increase the bandwidth efficiency. Multiple Hermite-Gaussian functions are modulated by a data set as a multicarrier modulation scheme in a single time-frequency region constituting toroidal waveform in a rectangular OFDMA system. The proposed work outperforms in the sense of bandwidth efficiency compared to the transmission scheme where only single Gaussian pulses are used as the transmission base. We investigate theoretical and simulation results of the proposed methods.
International Nuclear Information System (INIS)
Child, M S; Hiyama, M
2007-01-01
It is shown that the inherent arbitrariness in the construction of basis functions in quantum defect theory allows a choice that eliminates the occurrence of false roots of the quantization condition, with energies below the minimum of the channel potential. Comparisons are given with the well-known Ham procedure and with the more recent generalization to arbitrary fields by Jungen and Texier. The significance of the results for ab initio R matrix/MQDT studies is also discussed
Comparison Between Polynomial, Euler Beta-Function and Expo-Rational B-Spline Bases
Kristoffersen, Arnt R.; Dechevsky, Lubomir T.; Laksa˚, Arne; Bang, Børre
2011-12-01
Euler Beta-function B-splines (BFBS) are the practically most important instance of generalized expo-rational B-splines (GERBS) which are not true expo-rational B-splines (ERBS). BFBS do not enjoy the full range of the superproperties of ERBS but, while ERBS are special functions computable by a very rapidly converging yet approximate numerical quadrature algorithms, BFBS are explicitly computable piecewise polynomial (for integer multiplicities), similar to classical Schoenberg B-splines. In the present communication we define, compute and visualize for the first time all possible BFBS of degree up to 3 which provide Hermite interpolation in three consecutive knots of multiplicity up to 3, i.e., the function is being interpolated together with its derivatives of order up to 2. We compare the BFBS obtained for different degrees and multiplicities among themselves and versus the classical Schoenberg polynomial B-splines and the true ERBS for the considered knots. The results of the graphical comparison are discussed from analytical point of view. For the numerical computation and visualization of the new B-splines we have used Maple 12.
Organisms modeling: The question of radial basis function networks
Directory of Open Access Journals (Sweden)
Muzy Alexandre
2014-01-01
Full Text Available There exists usually a gap between bio-inspired computational techniques and what biologists can do with these techniques in their current researches. Although biology is the root of system-theory and artifical neural networks, computer scientists are tempted to build their own systems independently of biological issues. This publication is a first-step re-evalution of an usual machine learning technique (radial basis funtion(RBF networks in the context of systems and biological reactive organisms.
Delta-function potential with a complex coupling
International Nuclear Information System (INIS)
Mostafazadeh, Ali
2006-01-01
We explore the Hamiltonian operator H = -d 2 /dx 2 + zδ(x), where x element of R, δ(x) is the Dirac delta function and z is an arbitrary complex coupling constant. For a purely imaginary z, H has a spectral singularity at E = -z 2 /4 element of R + . For Re(z) 2 /4. For the case that Re(z) > 0, H has a real, positive, continuous spectrum that is free from spectral singularities. For this latter case, we construct an associated biorthonormal system and use it to perform a perturbative calculation of a positive-definite inner product that renders H self-adjoint. This allows us to address the intriguing question of the nonlocal aspects of the equivalent Hermitian Hamiltonian for the system. In particular, we compute the energy expectation values for various Gaussian wave packets to show that the non-Hermiticity effect diminishes rapidly outside an effective interaction region
Gaussian Radial Basis Function for Efficient Computation of Forest Indirect Illumination
Abbas, Fayçal; Babahenini, Mohamed Chaouki
2018-06-01
Global illumination of natural scenes in real time like forests is one of the most complex problems to solve, because the multiple inter-reflections between the light and material of the objects composing the scene. The major problem that arises is the problem of visibility computation. In fact, the computing of visibility is carried out for all the set of leaves visible from the center of a given leaf, given the enormous number of leaves present in a tree, this computation performed for each leaf of the tree which also reduces performance. We describe a new approach that approximates visibility queries, which precede in two steps. The first step is to generate point cloud representing the foliage. We assume that the point cloud is composed of two classes (visible, not-visible) non-linearly separable. The second step is to perform a point cloud classification by applying the Gaussian radial basis function, which measures the similarity in term of distance between each leaf and a landmark leaf. It allows approximating the visibility requests to extract the leaves that will be used to calculate the amount of indirect illumination exchanged between neighbor leaves. Our approach allows efficiently treat the light exchanges in the scene of a forest, it allows a fast computation and produces images of good visual quality, all this takes advantage of the immense power of computation of the GPU.
Heavy quarkonium in a holographic basis
Directory of Open Access Journals (Sweden)
Yang Li
2016-07-01
Full Text Available We study the heavy quarkonium within the basis light-front quantization approach. We implement the one-gluon exchange interaction and a confining potential inspired by light-front holography. We adopt the holographic light-front wavefunction (LFWF as our basis function and solve the non-perturbative dynamics by diagonalizing the Hamiltonian matrix. We obtain the mass spectrum for charmonium and bottomonium. With the obtained LFWFs, we also compute the decay constants and the charge form factors for selected eigenstates. The results are compared with the experimental measurements and with other established methods.
Directory of Open Access Journals (Sweden)
RENATA BIAGI
2006-12-01
Full Text Available This study aimed to determine the shell choice pattern of the southern Atlantic endemic hermit crab Loxopagurus loxochelis from two different biogeographic provinces in Brazil and Argentina. Size and shell species preferences were determined for the two most occupied shell types (i.e., Olivancillaria urceus and Buccinanops gradatum in Caraguatatuba region (Brazil and in Mar del Plata (Argentina. Shell occupation was analyzed considering the biometric characteristics of shells, the occurrence of shell types, and the preference of the hermit crabs for the most frequently occupied shell species. Samples were taken using otter trawl in the infralittoral area of both regions and the animals captured were measured and weighed. Shells were identified, weighed, measured and their internal volume calculated. Experiments were accomplished in aquaria where the hermit crabs were allocated together with a sufficient number of adequate sized shells. In laboratory, L. loxochelis from Argentina presented no preference for any of the two offered shell species, while the specimens from Brazil significantly preferred B. gradatum shells. It was observed that the relation between shell dimensions and shell weight were the variables that best explained the association between hermit crabs and shells. Considering that Argentinean specimens are larger than the Brazilian ones we may infer that body size is a relevant factor to explain the observed differences found in relation to shell type preferenceEste estudio tuvo por objetivo determinar la forma de elección de conchas de caracoles por el cangrejo ermitaño endémico del Atlántico sudoccidental Loxopagurus loxochelis proveniente de dos provincias biogeográficas de Brasil y Argentina. Se determinaron las tallas y las preferencias de conchas entre los dos tipos de caracoles más ocupados (Olivancillaria urceus y Buccinanops gradatum en la región de Caraguatatuba (Brazil y en Mar del Plata (Argentina. La composici
Meng, Qinggang; Lee, M. H.
2007-03-01
Advanced autonomous artificial systems will need incremental learning and adaptive abilities similar to those seen in humans. Knowledge from biology, psychology and neuroscience is now inspiring new approaches for systems that have sensory-motor capabilities and operate in complex environments. Eye/hand coordination is an important cross-modal cognitive function, and is also typical of many of the other coordinations that must be involved in the control and operation of embodied intelligent systems. This paper examines a biologically inspired approach for incrementally constructing compact mapping networks for eye/hand coordination. We present a simplified node-decoupled extended Kalman filter for radial basis function networks, and compare this with other learning algorithms. An experimental system consisting of a robot arm and a pan-and-tilt head with a colour camera is used to produce results and test the algorithms in this paper. We also present three approaches for adapting to structural changes during eye/hand coordination tasks, and the robustness of the algorithms under noise are investigated. The learning and adaptation approaches in this paper have similarities with current ideas about neural growth in the brains of humans and animals during tool-use, and infants during early cognitive development.
Conjugate schema and basis representation of crossover and mutation operators.
Kazadi, S T
1998-01-01
In genetic search algorithms and optimization routines, the representation of the mutation and crossover operators are typically defaulted to the canonical basis. We show that this can be influential in the usefulness of the search algorithm. We then pose the question of how to find a basis for which the search algorithm is most useful. The conjugate schema is introduced as a general mathematical construct and is shown to separate a function into smaller dimensional functions whose sum is the original function. It is shown that conjugate schema, when used on a test suite of functions, improves the performance of the search algorithm on 10 out of 12 of these functions. Finally, a rigorous but abbreviated mathematical derivation is given in the appendices.
Calculation of electromagnetic parameter based on interpolation algorithm
International Nuclear Information System (INIS)
Zhang, Wenqiang; Yuan, Liming; Zhang, Deyuan
2015-01-01
Wave-absorbing material is an important functional material of electromagnetic protection. The wave-absorbing characteristics depend on the electromagnetic parameter of mixed media. In order to accurately predict the electromagnetic parameter of mixed media and facilitate the design of wave-absorbing material, based on the electromagnetic parameters of spherical and flaky carbonyl iron mixture of paraffin base, this paper studied two different interpolation methods: Lagrange interpolation and Hermite interpolation of electromagnetic parameters. The results showed that Hermite interpolation is more accurate than the Lagrange interpolation, and the reflectance calculated with the electromagnetic parameter obtained by interpolation is consistent with that obtained through experiment on the whole. - Highlights: • We use interpolation algorithm on calculation of EM-parameter with limited samples. • Interpolation method can predict EM-parameter well with different particles added. • Hermite interpolation is more accurate than Lagrange interpolation. • Calculating RL based on interpolation is consistent with calculating RL from experiment
Directory of Open Access Journals (Sweden)
Sara R. Sampaio
2009-09-01
Full Text Available Um estudo sobre a flutuação temporal da estrutura populacional do ermitão Clibanarius vittatus (Bosc, 1802 foi realizado no Baixio Mirim, Baía de Guaratuba, Estado do Paraná, Brasil (25°52'S, 48°36'W. Clibanarius vittatus é uma espécie largamente estudada, entretanto estudos da biologia populacional desta em diferentes regiões são escassos. Coletas mensais foram realizadas na zona entremarés, de abril/2005 a março/2006. Foram obtidos 1187 ermitões, dos quais, 949 machos, 22 indivíduos intersexo, 204 fêmeas não ovígeras e 12 fêmeas ovígeras. O comprimento do escudo cefalotorácico (CEC foi medido e agrupado em 10 classes de tamanho. Machos ocorreram em 10 classes de CEC, enquanto fêmeas e intersexos em apenas seis. A razão de sexos total e mensal foi a favor dos machos. Todas as categorias demográficas estiveram presentes o ano inteiro, com exceção dos intersexos e das fêmeas ovígeras. Estas foram pouco frequentes e ocorreram do final da primavera até o outono, e em agosto de 2005. O período reprodutivo foi considerado contínuo-sazonal, com maior intensidade nos meses mais quentes. A razão de sexos nesta população, que é diferente das demais estudadas, corrobora a teoria de migração proposta para esta espécie. O presente estudo constitui o primeiro registro do período reprodutivo desta espécie em águas rasas de clima subtropical quente.A study on the temporal fluctuation of the population structure of the hermit crab Clibanarius vittatus (Bosc, 1802 was carried out at Baixio Mirim tideflat, Guaratuba Bay, Paraná State, southern Brazil (25°52'S, 48°36'W. Clibanarius vittatus is a species widely studied, but studies of population biology of these hermit crabs in different regions are scarce. Samplings were done in the intertidal zone, monthly, from April/2005 to March/2006. A total of 1187 hermit crabs were obtained, among which, 949 males, 22 intersexes, 204 non-ovigerous females and 12 ovigerous females
Canonical three-body angular basis
International Nuclear Information System (INIS)
Matveenko, A.V.
2001-01-01
Three-body problems are basic for the quantum mechanics of molecular, atomic, or nuclear systems. We demonstrate that their variational solution for rotational states can be greatly simplified. A special choice of coordinates (hyperspherical) and of the kinematics (body-fixed coordinate frame) allows one to choose basis functions in a form that makes the angular coupling trivial. (author)
Ferenczy, György G
2013-04-05
The application of the local basis equation (Ferenczy and Adams, J. Chem. Phys. 2009, 130, 134108) in mixed quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) methods is investigated. This equation is suitable to derive local basis nonorthogonal orbitals that minimize the energy of the system and it exhibits good convergence properties in a self-consistent field solution. These features make the equation appropriate to be used in mixed QM/MM and QM/QM methods to optimize orbitals in the field of frozen localized orbitals connecting the subsystems. Calculations performed for several properties in divers systems show that the method is robust with various choices of the frozen orbitals and frontier atom properties. With appropriate basis set assignment, it gives results equivalent with those of a related approach [G. G. Ferenczy previous paper in this issue] using the Huzinaga equation. Thus, the local basis equation can be used in mixed QM/MM methods with small size quantum subsystems to calculate properties in good agreement with reference Hartree-Fock-Roothaan results. It is shown that bond charges are not necessary when the local basis equation is applied, although they are required for the self-consistent field solution of the Huzinaga equation based method. Conversely, the deformation of the wave-function near to the boundary is observed without bond charges and this has a significant effect on deprotonation energies but a less pronounced effect when the total charge of the system is conserved. The local basis equation can also be used to define a two layer quantum system with nonorthogonal localized orbitals surrounding the central delocalized quantum subsystem. Copyright © 2013 Wiley Periodicals, Inc.
Localized atomic basis set in the projector augmented wave method
DEFF Research Database (Denmark)
Larsen, Ask Hjorth; Vanin, Marco; Mortensen, Jens Jørgen
2009-01-01
We present an implementation of localized atomic-orbital basis sets in the projector augmented wave (PAW) formalism within the density-functional theory. The implementation in the real-space GPAW code provides a complementary basis set to the accurate but computationally more demanding grid...
Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.
2006-11-01
The simulation of biological systems by means of current empirical force fields presents shortcomings due to their lack of accuracy, especially in the description of the nonbonded terms. We have previously introduced a force field based on density fitting termed the Gaussian electrostatic model-0 (GEM-0) J.-P. Piquemal et al. [J. Chem. Phys. 124, 104101 (2006)] that improves the description of the nonbonded interactions. GEM-0 relies on density fitting methodology to reproduce each contribution of the constrained space orbital variation (CSOV) energy decomposition scheme, by expanding the electronic density of the molecule in s-type Gaussian functions centered at specific sites. In the present contribution we extend the Coulomb and exchange components of the force field to auxiliary basis sets of arbitrary angular momentum. Since the basis functions with higher angular momentum have directionality, a reference molecular frame (local frame) formalism is employed for the rotation of the fitted expansion coefficients. In all cases the intermolecular interaction energies are calculated by means of Hermite Gaussian functions using the McMurchie-Davidson [J. Comput. Phys. 26, 218 (1978)] recursion to calculate all the required integrals. Furthermore, the use of Hermite Gaussian functions allows a point multipole decomposition determination at each expansion site. Additionally, the issue of computational speed is investigated by reciprocal space based formalisms which include the particle mesh Ewald (PME) and fast Fourier-Poisson (FFP) methods. Frozen-core (Coulomb and exchange-repulsion) intermolecular interaction results for ten stationary points on the water dimer potential-energy surface, as well as a one-dimensional surface scan for the canonical water dimer, formamide, stacked benzene, and benzene water dimers, are presented. All results show reasonable agreement with the corresponding CSOV calculated reference contributions, around 0.1 and 0.15kcal/mol error for
Cost-Sensitive Radial Basis Function Neural Network Classifier for Software Defect Prediction.
Kumudha, P; Venkatesan, R
Effective prediction of software modules, those that are prone to defects, will enable software developers to achieve efficient allocation of resources and to concentrate on quality assurance activities. The process of software development life cycle basically includes design, analysis, implementation, testing, and release phases. Generally, software testing is a critical task in the software development process wherein it is to save time and budget by detecting defects at the earliest and deliver a product without defects to the customers. This testing phase should be carefully operated in an effective manner to release a defect-free (bug-free) software product to the customers. In order to improve the software testing process, fault prediction methods identify the software parts that are more noted to be defect-prone. This paper proposes a prediction approach based on conventional radial basis function neural network (RBFNN) and the novel adaptive dimensional biogeography based optimization (ADBBO) model. The developed ADBBO based RBFNN model is tested with five publicly available datasets from the NASA data program repository. The computed results prove the effectiveness of the proposed ADBBO-RBFNN classifier approach with respect to the considered metrics in comparison with that of the early predictors available in the literature for the same datasets.
Wang, Zhiheng
2014-12-10
A meshless local radial basis function method is developed for two-dimensional incompressible Navier-Stokes equations. The distributed nodes used to store the variables are obtained by the philosophy of an unstructured mesh, which results in two main advantages of the method. One is that the unstructured nodes generation in the computational domain is quite simple, without much concern about the mesh quality; the other is that the localization of the obtained collocations for the discretization of equations is performed conveniently with the supporting nodes. The algebraic system is solved by a semi-implicit pseudo-time method, in which the convective and source terms are explicitly marched by the Runge-Kutta method, and the diffusive terms are implicitly solved. The proposed method is validated by several benchmark problems, including natural convection in a square cavity, the lid-driven cavity flow, and the natural convection in a square cavity containing a circular cylinder, and very good agreement with the existing results are obtained.
Hong, Xia
2006-07-01
In this letter, a Box-Cox transformation-based radial basis function (RBF) neural network is introduced using the RBF neural network to represent the transformed system output. Initially a fixed and moderate sized RBF model base is derived based on a rank revealing orthogonal matrix triangularization (QR decomposition). Then a new fast identification algorithm is introduced using Gauss-Newton algorithm to derive the required Box-Cox transformation, based on a maximum likelihood estimator. The main contribution of this letter is to explore the special structure of the proposed RBF neural network for computational efficiency by utilizing the inverse of matrix block decomposition lemma. Finally, the Box-Cox transformation-based RBF neural network, with good generalization and sparsity, is identified based on the derived optimal Box-Cox transformation and a D-optimality-based orthogonal forward regression algorithm. The proposed algorithm and its efficacy are demonstrated with an illustrative example in comparison with support vector machine regression.
TWRS authorization basis configuration control summary
International Nuclear Information System (INIS)
Mendoza, D.P.
1997-01-01
This document was developed to define the Authorization Basis management functional requirements for configuration control, to evaluate the management control systems currently in place, and identify any additional controls that may be required until the TWRS [Tank Waste Remediation System] Configuration Management system is fully in place
Optimization of the variational basis in the three body problem
International Nuclear Information System (INIS)
Simenog, I.V.; Pushkash, O.M.; Bestuzheva, A.B.
1995-01-01
The procedure of variational oscillator basis optimization is proposed to the calculation the energy spectra of three body systems. The hierarchy of basis functions is derived and energies of ground and excited states for three gravitating particles is obtained with high accuracy. 12 refs
Cellular Basis for ADT-Induced Acceleration of Sarcopenia
2015-10-01
1 AWARD NUMBER: W81XWH-14-1-0454 TITLE: Cellular Basis for ADT-Induced Acceleration of Sarcopenia PRINCIPAL INVESTIGATOR: Joe V...AND SUBTITLE Cellular Basis for ADT-Induced Acceleration of Sarcopenia 5a. CONTRACT NUMBER 5b. GRANT NUMBER W81XWH-14-1-0454 5c. PROGRAM...cell function and thereby regenerative capability contribute to the acceleration of sarcopenia observed in prostate cancer patients undergoing ADT
Directory of Open Access Journals (Sweden)
Azam Farmani
2014-07-01
Full Text Available Objectives: The aim of the present study is to examine the prediction of the reminiscence functions in older adults on the basis of the five personality factor model. Methods & Materials: 242 elderly adults older than 60 were recruited from retirement clubs of the city of Shiraz via available sampling method. The participants completed the Reminiscence Functions Scale and Goldberg's International Personality Item Pool. Forty participants were deleted from the sample because they did not complete the questionnaires fully. All the participants took part in the study with their conscious consent. To conduct the necessary descriptive and inferential statistical operations, SPSS (Version 16 was used. Mean, standard deviation and Pearson correlation coefficient were utilized to analyze the data in the descriptive statistics section, And in inferential statistics section, simultaneous multiple regression was used to predict reminiscence functions. Results: According to the results of the multiple regression analysis, Neuroticism predicted the reminiscence functions of Bitterness Revival (β=0.28, P≤0.001 and Intimacy Maintenance (β=0.25, P≤0.001 and Extraversion predicted the reminiscence functions of Teach/Inform (β=0.18, P<0.05. Conclusion: The results indicated that people with higher levels of psychological distress tend to rehash and ruminate on bitter memories and hold onto memories of intimate social relations who are no longer part of their lives. Moreover, extravert people tend to share memories to transmit a lesson of life and share personal ideologies and experiences. Clinicians should focus on more adaptive functions of reminiscence (e.g., identity, problem solving and teach/inform and teach such functions.
International Nuclear Information System (INIS)
Yang Xinglin; Wang Huacen; Chen Nan; Dai Wenhua; Li Jin
2006-01-01
High current linear induction accelerator (LIA) is a complicated experimental physics device. It is difficult to evaluate and predict its performance. this paper presents a method which combines wavelet packet transform and radial basis function (RBF) neural network to build fault diagnosis and performance evaluation in order to improve reliability of high current LIA. The signal characteristics vectors which are extracted based on energy parameters of wavelet packet transform can well present the temporal and steady features of pulsed power signal, and reduce data dimensions effectively. The fault diagnosis system for accelerating cell and the trend classification system for the beam current based on RBF networks can perform fault diagnosis and evaluation, and provide predictive information for precise maintenance of high current LIA. (authors)
On the performance of atomic natural orbital basis sets: A full configuration interaction study
International Nuclear Information System (INIS)
Illas, F.; Ricart, J.M.; Rubio, J.; Bagus, P.S.
1990-01-01
The performance of atomic natural orbital (ANO) basis sets has been studied by comparing self-consistant field (SCF) and full configuration interaction (CI) results obtained for the first row atoms and hydrides. The ANO results have been compared with those obtained using a segmented basis set containing the same number of contracted basis functions. The total energies obtained with the ANO basis sets are always lower than the one obtained by using the segmented one. However, for the hydrides, differential electronic correlation energy obtained with the ANO basis set may be smaller than the one recovered with the segmented set. We relate this poorer differential correlation energy for the ANO basis set to the fact that only one contracted d function is used for the ANO and segmented basis sets
Vavalle, Nicholas A; Schoell, Samantha L; Weaver, Ashley A; Stitzel, Joel D; Gayzik, F Scott
2014-11-01
Human body finite element models (FEMs) are a valuable tool in the study of injury biomechanics. However, the traditional model development process can be time-consuming. Scaling and morphing an existing FEM is an attractive alternative for generating morphologically distinct models for further study. The objective of this work is to use a radial basis function to morph the Global Human Body Models Consortium (GHBMC) average male model (M50) to the body habitus of a 95th percentile male (M95) and to perform validation tests on the resulting model. The GHBMC M50 model (v. 4.3) was created using anthropometric and imaging data from a living subject representing a 50th percentile male. A similar dataset was collected from a 95th percentile male (22,067 total images) and was used in the morphing process. Homologous landmarks on the reference (M50) and target (M95) geometries, with the existing FE node locations (M50 model), were inputs to the morphing algorithm. The radial basis function was applied to morph the FE model. The model represented a mass of 103.3 kg and contained 2.2 million elements with 1.3 million nodes. Simulations of the M95 in seven loading scenarios were presented ranging from a chest pendulum impact to a lateral sled test. The morphed model matched anthropometric data to within a rootmean square difference of 4.4% while maintaining element quality commensurate to the M50 model and matching other anatomical ranges and targets. The simulation validation data matched experimental data well in most cases.
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Ángel Gutiérrez
2015-04-01
Full Text Available The data available in the average clinical study of a disease is very often small. This is one of the main obstacles in the application of neural networks to the classification of biological signals used for diagnosing diseases. A rule of thumb states that the number of parameters (weights that can be used for training a neural network should be around 15% of the available data, to avoid overlearning. This condition puts a limit on the dimension of the input space. Different authors have used different approaches to solve this problem, like eliminating redundancy in the data, preprocessing the data to find centers for the radial basis functions, or extracting a small number of features that were used as inputs. It is clear that the classification would be better the more features we could feed into the network. The approach utilized in this paper is incrementing the number of training elements with randomly expanding training sets. This way the number of original signals does not constraint the dimension of the input set in the radial basis network. Then we train the network using the method that minimizes the error function using the gradient descent algorithm and the method that uses the particle swarm optimization technique. A comparison between the two methods showed that for the same number of iterations on both methods, the particle swarm optimization was faster, it was learning to recognize only the sick people. On the other hand, the gradient method was not as good in general better at identifying those people.
Radial basis function networks applied to DNBR calculation in digital core protection systems
International Nuclear Information System (INIS)
Lee, Gyu-Cheon; Heung Chang, Soon
2003-01-01
The nuclear power plant has to be operated with sufficient margin from the specified DNBR limit for assuring its safety. The digital core protection system calculates on-line real-time DNBR by using a complex subchannel analysis program, and triggers a reliable reactor shutdown if the calculated DNBR approaches the specified limit. However, it takes a relatively long calculation time even for a steady state condition, which may have an adverse effect on the operation flexibility. To overcome the drawback, a new method using a radial basis function network is presented in this paper. Nonparametric training approach is utilized, which shows dramatic reduction of the training time, no tedious heuristic process for optimizing parameters, and no local minima problem during the training. The test results show that the predicted DNBR is within about ±2% deviation from the target DNBR for the fixed axial flux shape case. For the variable axial flux case including severely skewed shapes that appeared during accidents, the deviation is within about ±10%. The suggested method could be the alternative that can calculate DNBR very quickly while guaranteeing the plant safety
Valdes, Felipe; Andriulli, Francesco P.; Cools, Kristof; Michielssen, Eric
2011-01-01
A new high-order Calderón multiplicative preconditioner (HO-CMP) for the electric field integral equation (EFIE) is presented. In contrast to previous CMPs, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of high-order quasi curl-conforming basis functions. Like its predecessors, the HO-CMP can be seamlessly integrated into existing EFIE codes. Numerical results demonstrate that the linear systems of equations obtained using the proposed HO-CMP converge rapidly, regardless of the mesh density and of the order of the current expansion. © 2006 IEEE.
Valdes, Felipe
2011-04-01
A new high-order Calderón multiplicative preconditioner (HO-CMP) for the electric field integral equation (EFIE) is presented. In contrast to previous CMPs, the proposed preconditioner allows for high-order surface representations and current expansions by using a novel set of high-order quasi curl-conforming basis functions. Like its predecessors, the HO-CMP can be seamlessly integrated into existing EFIE codes. Numerical results demonstrate that the linear systems of equations obtained using the proposed HO-CMP converge rapidly, regardless of the mesh density and of the order of the current expansion. © 2006 IEEE.
Năpăruş, Magdalena; Kuntner, Matjaž
2012-01-01
Although numerous studies model species distributions, these models are almost exclusively on single species, while studies of evolutionary lineages are preferred as they by definition study closely related species with shared history and ecology. Hermit spiders, genus Nephilengys, represent an ecologically important but relatively species-poor lineage with a globally allopatric distribution. Here, we model Nephilengys global habitat suitability based on known localities and four ecological parameters. We geo-referenced 751 localities for the four most studied Nephilengys species: N. cruentata (Africa, New World), N. livida (Madagascar), N. malabarensis (S-SE Asia), and N. papuana (Australasia). For each locality we overlaid four ecological parameters: elevation, annual mean temperature, annual mean precipitation, and land cover. We used linear backward regression within ArcGIS to select two best fit parameters per species model, and ModelBuilder to map areas of high, moderate and low habitat suitability for each species within its directional distribution. For Nephilengys cruentata suitable habitats are mid elevation tropics within Africa (natural range), a large part of Brazil and the Guianas (area of synanthropic spread), and even North Africa, Mediterranean, and Arabia. Nephilengys livida is confined to its known range with suitable habitats being mid-elevation natural and cultivated lands. Nephilengys malabarensis, however, ranges across the Equator throughout Asia where the model predicts many areas of high ecological suitability in the wet tropics. Its directional distribution suggests the species may potentially spread eastwards to New Guinea where the suitable areas of N. malabarensis largely surpass those of the native N. papuana, a species that prefers dry forests of Australian (sub)tropics. Our model is a customizable GIS tool intended to predict current and future potential distributions of globally distributed terrestrial lineages. Its predictive
Directory of Open Access Journals (Sweden)
Magdalena Năpăruş
Full Text Available BACKGROUND: Although numerous studies model species distributions, these models are almost exclusively on single species, while studies of evolutionary lineages are preferred as they by definition study closely related species with shared history and ecology. Hermit spiders, genus Nephilengys, represent an ecologically important but relatively species-poor lineage with a globally allopatric distribution. Here, we model Nephilengys global habitat suitability based on known localities and four ecological parameters. METHODOLOGY/PRINCIPAL FINDINGS: We geo-referenced 751 localities for the four most studied Nephilengys species: N. cruentata (Africa, New World, N. livida (Madagascar, N. malabarensis (S-SE Asia, and N. papuana (Australasia. For each locality we overlaid four ecological parameters: elevation, annual mean temperature, annual mean precipitation, and land cover. We used linear backward regression within ArcGIS to select two best fit parameters per species model, and ModelBuilder to map areas of high, moderate and low habitat suitability for each species within its directional distribution. For Nephilengys cruentata suitable habitats are mid elevation tropics within Africa (natural range, a large part of Brazil and the Guianas (area of synanthropic spread, and even North Africa, Mediterranean, and Arabia. Nephilengys livida is confined to its known range with suitable habitats being mid-elevation natural and cultivated lands. Nephilengys malabarensis, however, ranges across the Equator throughout Asia where the model predicts many areas of high ecological suitability in the wet tropics. Its directional distribution suggests the species may potentially spread eastwards to New Guinea where the suitable areas of N. malabarensis largely surpass those of the native N. papuana, a species that prefers dry forests of Australian (subtropics. CONCLUSIONS: Our model is a customizable GIS tool intended to predict current and future potential
Directory of Open Access Journals (Sweden)
Dae San Kim
2012-01-01
Full Text Available We derive some interesting identities and arithmetic properties of Bernoulli and Euler polynomials from the orthogonality of Hermite polynomials. Let Pn={p(x∈ℚ[x]∣deg p(x≤n} be the (n+1-dimensional vector space over ℚ. Then we show that {H0(x,H1(x,…,Hn(x} is a good basis for the space Pn for our purpose of arithmetical and combinatorial applications.
Liu, Jinkun
2013-01-01
Radial Basis Function (RBF) Neural Network Control for Mechanical Systems is motivated by the need for systematic design approaches to stable adaptive control system design using neural network approximation-based techniques. The main objectives of the book are to introduce the concrete design methods and MATLAB simulation of stable adaptive RBF neural control strategies. In this book, a broad range of implementable neural network control design methods for mechanical systems are presented, such as robot manipulators, inverted pendulums, single link flexible joint robots, motors, etc. Advanced neural network controller design methods and their stability analysis are explored. The book provides readers with the fundamentals of neural network control system design. This book is intended for the researchers in the fields of neural adaptive control, mechanical systems, Matlab simulation, engineering design, robotics and automation. Jinkun Liu is a professor at Beijing University of Aeronautics and Astronauti...
Energy Technology Data Exchange (ETDEWEB)
Spackman, Peter R.; Karton, Amir, E-mail: amir.karton@uwa.edu.au [School of Chemistry and Biochemistry, The University of Western Australia, Perth, WA 6009 (Australia)
2015-05-15
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/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{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}.
International Nuclear Information System (INIS)
Spackman, Peter R.; Karton, Amir
2015-01-01
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/L 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/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
Basis expansion model for channel estimation in LTE-R communication system
Directory of Open Access Journals (Sweden)
Ling Deng
2016-05-01
Full Text Available This paper investigates fast time-varying channel estimation in LTE-R communication systems. The Basis Expansion Model (BEM is adopted to fit the fast time-varying channel in a high-speed railway communication scenario. The channel impulse response is modeled as the sum of basis functions multiplied by different coefficients. The optimal coefficients are obtained by theoretical analysis. Simulation results show that a Generalized Complex-Exponential BEM (GCE-BEM outperforms a Complex-Exponential BEM (CE-BEM and a polynomial BEM in terms of Mean Squared Error (MSE. Besides, the MSE of the CE-BEM decreases gradually as the number of basis functions increases. The GCE-BEM has a satisfactory performance with the serious fading channel.
MRD-CI potential surfaces using balanced basis sets. IV. The H2 molecule and the H3 surface
International Nuclear Information System (INIS)
Wright, J.S.; Kruus, E.
1986-01-01
The utility of midbond functions in molecular calculations was tested in two cases where the correct results are known: the H 2 potential curve and the collinear H 3 potential surface. For H 2 , a variety of basis sets both with and without bond functions was compared to the exact nonrelativistic potential curve of Kolos and Wolniewicz [J. Chem. Phys. 43, 2429 (1965)]. It was found that optimally balanced basis sets at two levels of quality were the double zeta single polarization plus sp bond function basis (BF1) and the triple zeta double polarization plus two sets of sp bond function basis (BF2). These gave bond dissociation energies D/sub e/ = 4.7341 and 4.7368 eV, respectively (expt. 4.7477 eV). Four basis sets were tested for basis set superposition errors, which were found to be small relative to basis set incompleteness and therefore did not affect any conclusions regarding basis set balance. Basis sets BF1 and BF2 were used to construct potential surfaces for collinear H 3 , along with the corresponding basis sets DZ*P and TZ*PP which contain no bond functions. Barrier heights of 12.52, 10.37, 10.06, and 9.96 kcal/mol were obtained for basis sets DZ*P, TZ*PP, BF1, and BF2, respectively, compared to an estimated limiting value of 9.60 kcal/mol. Difference maps, force constants, and relative rms deviations show that the bond functions improve the surface shape as well as the barrier height
1981-02-01
1) further intergrations by parts for the y inte gral, and then n integrations by parts for the x integral; the result is Similarly, Hermiticity...has flattened-out in comparison to B,(x) and in this way B(x) is less representative of the true source than is B (x). Thus, we have a trade -off in
Ghasemi, Nahid; Aghayari, Reza; Maddah, Heydar
2018-06-01
The present study aims at predicting and optimizing exergetic efficiency of TiO2-Al2O3/water nanofluid at different Reynolds numbers, volume fractions and twisted ratios using Artificial Neural Networks (ANN) and experimental data. Central Composite Design (CCD) and cascade Radial Basis Function (RBF) were used to display the significant levels of the analyzed factors on the exergetic efficiency. The size of TiO2-Al2O3/water nanocomposite was 20-70 nm. The parameters of ANN model were adapted by a training algorithm of radial basis function (RBF) with a wide range of experimental data set. Total mean square error and correlation coefficient were used to evaluate the results which the best result was obtained from double layer perceptron neural network with 30 neurons in which total Mean Square Error(MSE) and correlation coefficient (R2) were equal to 0.002 and 0.999, respectively. This indicated successful prediction of the network. Moreover, the proposed equation for predicting exergetic efficiency was extremely successful. According to the optimal curves, the optimum designing parameters of double pipe heat exchanger with inner twisted tape and nanofluid under the constrains of exergetic efficiency 0.937 are found to be Reynolds number 2500, twisted ratio 2.5 and volume fraction( v/v%) 0.05.
Energy Technology Data Exchange (ETDEWEB)
McLean, R
1983-01-01
Empty gastropod shells are an important resource for many animals in shallow benthic marine communities. Shells provide shelter for hermit crabs, octopuses, and fishes, provide attachment substratum for hermit crab symbionts, and directly or indirectly modify hermit crab predation. Creation of an empty shell due to predation of one gastropod on another and acquisition of that shell by a hermit crab are two key events in the subsequent use of that shell. Shells of different gastropod species and the species of hermit crab acquiring them affect the symbiont complement that attaches to the shell, which in turn may affect future shell use by other symbionts. Certain shell types worn by the hermit crab, Pagurus pollicaris Say, are positively associated with the symbiotic sea anemone, Calliactis tricolor (Lesueur), which protects the hermit crab from predation by the crab, Calappa flammea (Herbst), and possibly from the octopus, Octopus joubini Robson. Shells of other species of gastropods are resistant to being crushed by the spiny lobster, Panulirus argus (Latreille). The inter- and intraspecific interactions centered on the gastropod shell are termed a ''habitat web.'' The potential of the shell to limit the size and distribution of animal populations demonstrates how this resource helps shape community structure.
Yang, Yanchao; Jiang, Hong; Liu, Congbin; Lan, Zhongli
2013-03-01
Cognitive radio (CR) is an intelligent wireless communication system which can dynamically adjust the parameters to improve system performance depending on the environmental change and quality of service. The core technology for CR is the design of cognitive engine, which introduces reasoning and learning methods in the field of artificial intelligence, to achieve the perception, adaptation and learning capability. Considering the dynamical wireless environment and demands, this paper proposes a design of cognitive engine based on the rough sets (RS) and radial basis function neural network (RBF_NN). The method uses experienced knowledge and environment information processed by RS module to train the RBF_NN, and then the learning model is used to reconfigure communication parameters to allocate resources rationally and improve system performance. After training learning model, the performance is evaluated according to two benchmark functions. The simulation results demonstrate the effectiveness of the model and the proposed cognitive engine can effectively achieve the goal of learning and reconfiguration in cognitive radio.
Regis, Rommel G.
2014-02-01
This article develops two new algorithms for constrained expensive black-box optimization that use radial basis function surrogates for the objective and constraint functions. These algorithms are called COBRA and Extended ConstrLMSRBF and, unlike previous surrogate-based approaches, they can be used for high-dimensional problems where all initial points are infeasible. They both follow a two-phase approach where the first phase finds a feasible point while the second phase improves this feasible point. COBRA and Extended ConstrLMSRBF are compared with alternative methods on 20 test problems and on the MOPTA08 benchmark automotive problem (D.R. Jones, Presented at MOPTA 2008), which has 124 decision variables and 68 black-box inequality constraints. The alternatives include a sequential penalty derivative-free algorithm, a direct search method with kriging surrogates, and two multistart methods. Numerical results show that COBRA algorithms are competitive with Extended ConstrLMSRBF and they generally outperform the alternatives on the MOPTA08 problem and most of the test problems.
REFORMASI SISTEM AKUNTANSI CASH BASIS MENUJU SISTEM AKUNTANSI ACCRUAL BASIS
Directory of Open Access Journals (Sweden)
Yuri Rahayu
2016-03-01
Full Text Available Abstract – Accounting reform movement was born with the aim of structuring the direction of improvement . This movement is characterized by the enactment of the Act of 2003 and Act 1 of 2004, which became the basis of the birth of Government Regulation No.24 of 2005 on Government Accounting Standards ( SAP . The general, accounting is based on two systems, the cash basis and the accrual basis. The facts speak far students still at problem with differences to the two methods that result in a lack of understanding on the treatment system for recording. The purpose method of research is particularly relevant to student references who are learning basic accounting so that it can provide information and more meaningful understanding of the accounting method cash basis and Accrual basis. This research was conducted through a normative approach, by tracing the document that references a study/library that combines source of reference that can be believed either from books and the internet are processed with a foundation of knowledge and experience of the author. The conclusion can be drawn that basically to be able to understand the difference of the system and the Cash Basis accrual student base treatment requires an understanding of both methods. To be able to have the ability and understanding of both systems required reading exercises and reference sources. Keywords : Reform, cash basis, accrual basis Abstrak - Gerakan reformasi akuntansi dilahirkan dengan tujuan penataan ke arah perbaikan. Gerakan ini ditandai dengan dikeluarkannya Undang-Undang tahun 2003 dan Undang-Undang No.1 Tahun 2004 yang menjadi dasar lahirnya Peraturan Pemerintah No.24 Tahun 2005 tentang Standar Akuntansi Pemerintah (SAP . Pada umumnya pencatatan akuntansi di dasarkan pada dua sistem yaitu basis kas (Cash Basis dan basis akrual (Accrual Basis. Fakta berbicara Selama ini mahasiswa masih dibinggungkan dengan perbedaan ke dua metode itu sehingga
A genetic basis for functional hypothalamic amenorrhea.
Caronia, Lisa M; Martin, Cecilia; Welt, Corrine K; Sykiotis, Gerasimos P; Quinton, Richard; Thambundit, Apisadaporn; Avbelj, Magdalena; Dhruvakumar, Sadhana; Plummer, Lacey; Hughes, Virginia A; Seminara, Stephanie B; Boepple, Paul A; Sidis, Yisrael; Crowley, William F; Martin, Kathryn A; Hall, Janet E; Pitteloud, Nelly
2011-01-20
Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogonadotropic hypogonadism, a congenital form of GnRH deficiency, are associated with hypothalamic amenorrhea. We analyzed the coding sequence of genes associated with idiopathic hypogonadotropic hypogonadism in 55 women with hypothalamic amenorrhea and performed in vitro studies of the identified mutations. Six heterozygous mutations were identified in 7 of the 55 patients with hypothalamic amenorrhea: two variants in the fibroblast growth factor receptor 1 gene FGFR1 (G260E and R756H), two in the prokineticin receptor 2 gene PROKR2 (R85H and L173R), one in the GnRH receptor gene GNRHR (R262Q), and one in the Kallmann syndrome 1 sequence gene KAL1 (V371I). No mutations were found in a cohort of 422 controls with normal menstrual cycles. In vitro studies showed that FGFR1 G260E, FGFR1 R756H, and PROKR2 R85H are loss-of-function mutations, as has been previously shown for PROKR2 L173R and GNRHR R262Q. Rare variants in genes associated with idiopathic hypogonadotropic hypogonadism are found in women with hypothalamic amenorrhea, suggesting that these mutations may contribute to the variable susceptibility of women to the functional changes in GnRH secretion that characterize hypothalamic amenorrhea. Our observations provide evidence for the role of rare variants in common multifactorial disease. (Funded by the Eunice Kennedy Shriver National Institute of Child Health and Human Development and others; ClinicalTrials.gov number, NCT00494169.).
Ryu, Duchwan
2013-03-01
The sea surface temperature (SST) is an important factor of the earth climate system. A deep understanding of SST is essential for climate monitoring and prediction. In general, SST follows a nonlinear pattern in both time and location and can be modeled by a dynamic system which changes with time and location. In this article, we propose a radial basis function network-based dynamic model which is able to catch the nonlinearity of the data and propose to use the dynamically weighted particle filter to estimate the parameters of the dynamic model. We analyze the SST observed in the Caribbean Islands area after a hurricane using the proposed dynamic model. Comparing to the traditional grid-based approach that requires a supercomputer due to its high computational demand, our approach requires much less CPU time and makes real-time forecasting of SST doable on a personal computer. Supplementary materials for this article are available online. © 2013 American Statistical Association.
The Reason for the Efficiency of the Pian-Sumihara Basis
Childs, S. J.; Reddy, B. D.
1999-01-01
A logical explanation as to why the choice of the Pian-Sumihara basis (as a linear basis to approximate stress) leads to greater efficiency in enhanced strain problems, is presented. An Airy stress function and the consequent selective simplification resulting from the differentiation of an implied, single, parent approximating polynomial, are the essence of this argument.
Sylvetsky, Nitai; Kesharwani, Manoj K; Martin, Jan M L
2017-10-07
We have developed a new basis set family, denoted as aug-cc-pVnZ-F12 (or aVnZ-F12 for short), for explicitly correlated calculations. The sets included in this family were constructed by supplementing the corresponding cc-pVnZ-F12 sets with additional diffuse functions on the higher angular momenta (i.e., additional d-h functions on non-hydrogen atoms and p-g on hydrogen atoms), optimized for the MP2-F12 energy of the relevant atomic anions. The new basis sets have been benchmarked against electron affinities of the first- and second-row atoms, the W4-17 dataset of total atomization energies, the S66 dataset of noncovalent interactions, the Benchmark Energy and Geometry Data Base water cluster subset, and the WATER23 subset of the GMTKN24 and GMTKN30 benchmark suites. The aVnZ-F12 basis sets displayed excellent performance, not just for electron affinities but also for noncovalent interaction energies of neutral and anionic species. Appropriate CABSs (complementary auxiliary basis sets) were explored for the S66 noncovalent interaction benchmark: between similar-sized basis sets, CABSs were found to be more transferable than generally assumed.
Directory of Open Access Journals (Sweden)
Sharma Rakesh
2004-05-01
Full Text Available Abstract Functional magnetic resonance imaging (fMRI is recently developing as imaging modality used for mapping hemodynamics of neuronal and motor event related tissue blood oxygen level dependence (BOLD in terms of brain activation. Image processing is performed by segmentation and registration methods. Segmentation algorithms provide brain surface-based analysis, automated anatomical labeling of cortical fields in magnetic resonance data sets based on oxygen metabolic state. Registration algorithms provide geometric features using two or more imaging modalities to assure clinically useful neuronal and motor information of brain activation. This review article summarizes the physiological basis of fMRI signal, its origin, contrast enhancement, physical factors, anatomical labeling by segmentation, registration approaches with examples of visual and motor activity in brain. Latest developments are reviewed for clinical applications of fMRI along with other different neurophysiological and imaging modalities.
A genetic basis for functional hypothalamic amenorrhea.
Caronia, L.M.; Martin, C.; Welt, C.K.; Sykiotis, G.P.; Quinton, R.; Thambundit, A.; Avbelj, M.; Dhruvakumar, S.; Plummer, L.; Hughes, V.A.; Seminara, S.B.; Boepple, P.A.; Sidis, Y.; Crowley, W.F.; Martin, K.A.
2011-01-01
Background: Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogon...
A Genetic Basis for Functional Hypothalamic Amenorrhea
Caronia, Lisa M.; Martin, Cecilia; Welt, Corrine K.; Sykiotis, Gerasimos P.; Quinton, Richard; Thambundit, Apisadaporn; Avbelj, Magdalena; Dhruvakumar, Sadhana; Plummer, Lacey; Hughes, Virginia A.; Seminara, Stephanie B.; Boepple, Paul A.; Sidis, Yisrael; Crowley, William F.; Martin, Kathryn A.; Hall, Janet E.; Pitteloud, Nelly
2011-01-01
BACKGROUND Functional hypothalamic amenorrhea is a reversible form of gonadotropin-releasing hormone (GnRH) deficiency commonly triggered by stressors such as excessive exercise, nutritional deficits, or psychological distress. Women vary in their susceptibility to inhibition of the reproductive axis by such stressors, but it is unknown whether this variability reflects a genetic predisposition to hypothalamic amenorrhea. We hypothesized that mutations in genes involved in idiopathic hypogonadotropic hypogonadism, a congenital form of GnRH deficiency, are associated with hypothalamic amenorrhea. METHODS We analyzed the coding sequence of genes associated with idiopathic hypogonadotropic hypogonadism in 55 women with hypothalamic amenorrhea and performed in vitro studies of the identified mutations. RESULTS Six heterozygous mutations were identified in 7 of the 55 patients with hypothalamic amenorrhea: two variants in the fibroblast growth factor receptor 1 gene FGFR1 (G260E and R756H), two in the prokineticin receptor 2 gene PROKR2 (R85H and L173R), one in the GnRH receptor gene GNRHR (R262Q), and one in the Kall-mann syndrome 1 sequence gene KAL1 (V371I). No mutations were found in a cohort of 422 controls with normal menstrual cycles. In vitro studies showed that FGFR1 G260E, FGFR1 R756H, and PROKR2 R85H are loss-of-function mutations, as has been previously shown for PROKR2 L173R and GNRHR R262Q. CONCLUSIONS Rare variants in genes associated with idiopathic hypogonadotropic hypogonadism are found in women with hypothalamic amenorrhea, suggesting that these mutations may contribute to the variable susceptibility of women to the functional changes in GnRH secretion that characterize hypothalamic amenorrhea. Our observations provide evidence for the role of rare variants in common multifactorial disease. (Funded by the Eunice Kennedy Shriver National Institute of Child Health and Human Development and others; ClinicalTrials.gov number, NCT00494169.) PMID:21247312
Maruyama, Pietro Kiyoshi; Vizentin-Bugoni, Jeferson; Dalsgaard, Bo; Sazima, Ivan; Sazima, Marlies
2015-07-01
Interactions between flowers and their visitors span the spectrum from mutualism to antagonism. The literature is rich in studies focusing on mutualism, but nectar robbery has mostly been investigated using phytocentric approaches focused on only a few plant species. To fill this gap, we studied the interactions between a nectar-robbing hermit hummingbird, Phaethornis ruber, and the array of flowers it visits. First, based on a literature review of the interactions involving P. ruber, we characterized the association of floral larceny to floral phenotype. We then experimentally examined the effects of nectar robbing on nectar standing crop and number of visits of the pollinators to the flowers of Canna paniculata. Finally, we asked whether the incorporation of illegitimate interactions into the analysis affects plant-hummingbird network structure. We identified 97 plant species visited by P. ruber and found that P. ruber engaged in floral larceny in almost 30% of these species. Nectar robbery was especially common in flowers with longer corolla. In terms of the effect on C. paniculata, the depletion of nectar due to robbery by P. ruber was associated with decreased visitation rates of legitimate pollinators. At the community level, the inclusion of the illegitimate visits of P. ruber resulted in modifications of how modules within the network were organized, notably giving rise to a new module consisting of P. ruber and mostly robbed flowers. However, although illegitimate visits constituted approximately 9% of all interactions in the network, changes in nestedness, modularity, and network-level specialization were minor. Our results indicate that although a flower robber may have a strong effect on the pollination of a particular plant species, the inclusion of its illegitimate interactions has limited capacity to change overall network structure.
Fourier transformations for difference analogs of the harmonic oscillator
International Nuclear Information System (INIS)
Askey, R.; Atakishiyev, N.M.
1995-01-01
The relation between the Mehler bilinear generating function for the Hermite polynomials and the kernel of the Fourier transformation that connect the spaces of coordinate and momentum is discussed. On the base of the relation the discrete analogs of the Fourier transformation for the Kravchuk and Charlier functions are considered. 6 refs
Directory of Open Access Journals (Sweden)
Gisele Tessari Santos
2009-08-01
Full Text Available A large number of financial engineering problems involve non-linear equations with non-linear or time-dependent boundary conditions. Despite available analytical solutions, many classical and modified forms of the well-known Black-Scholes (BS equation require fast and accurate numerical solutions. This work introduces the radial basis function (RBF method as applied to the solution of the BS equation with non-linear boundary conditions, related to path-dependent barrier options. Furthermore, the diffusional method for solving advective-diffusive equations is explored as to its effectiveness to solve BS equations. Cubic and Thin-Plate Spline (TPS radial basis functions were employed and evaluated as to their effectiveness to solve barrier option problems. The numerical results, when compared against analytical solutions, allow affirming that the RBF method is very accurate and easy to be implemented. When the RBF method is applied, the diffusional method leads to the same results as those obtained from the classical formulation of Black-Scholes equation.Muitos problemas de engenharia financeira envolvem equações não-lineares com condições de contorno não-lineares ou dependentes do tempo. Apesar de soluções analíticas disponíveis, várias formas clássicas e modificadas da conhecida equação de Black-Scholes (BS requerem soluções numéricas rápidas e acuradas. Este trabalho introduz o método de função de base radial (RBF aplicado à solução da equação BS com condições de contorno não-lineares relacionadas a opções de barreira dependentes da trajetória. Além disso, explora-se o método difusional para solucionar equações advectivo-difusivas quanto à sua efetividade para solucionar equações BS. Utilizam-se funções de base radial Cúbica e Thin-Plate Spline (TPS, aplicadas à solução de problemas de opções de barreiras. Os resultados numéricos, quando comparados com as soluções analíticas, permitem afirmar
Some considerations about Gaussian basis sets for electric property calculations
Arruda, Priscilla M.; Canal Neto, A.; Jorge, F. E.
Recently, segmented contracted basis sets of double, triple, and quadruple zeta valence quality plus polarization functions (XZP, X = D, T, and Q, respectively) for the atoms from H to Ar were reported. In this work, with the objective of having a better description of polarizabilities, the QZP set was augmented with diffuse (s and p symmetries) and polarization (p, d, f, and g symmetries) functions that were chosen to maximize the mean dipole polarizability at the UHF and UMP2 levels, respectively. At the HF and B3LYP levels of theory, electric dipole moment and static polarizability for a sample of molecules were evaluated. Comparison with experimental data and results obtained with a similar size basis set, whose diffuse functions were optimized for the ground state energy of the anion, was done.
Propagation of a general-type beam through a truncated fractional Fourier transform optical system.
Zhao, Chengliang; Cai, Yangjian
2010-03-01
Paraxial propagation of a general-type beam through a truncated fractional Fourier transform (FRT) optical system is investigated. Analytical formulas for the electric field and effective beam width of a general-type beam in the FRT plane are derived based on the Collins formula. Our formulas can be used to study the propagation of a variety of laser beams--such as Gaussian, cos-Gaussian, cosh-Gaussian, sine-Gaussian, sinh-Gaussian, flat-topped, Hermite-cosh-Gaussian, Hermite-sine-Gaussian, higher-order annular Gaussian, Hermite-sinh-Gaussian and Hermite-cos-Gaussian beams--through a FRT optical system with or without truncation. The propagation properties of a Hermite-cos-Gaussian beam passing through a rectangularly truncated FRT optical system are studied as a numerical example. Our results clearly show that the truncated FRT optical system provides a convenient way for laser beam shaping.
Predominance of self-compatibility in hummingbird-pollinated plants in the Neotropics
Wolowski, Marina; Saad, Carolina Farias; Ashman, Tia-Lynn; Freitas, Leandro
2013-01-01
Both plant traits and plant-pollinator interactions are thought to influence plant mating systems. For hummingbird-pollinated plants, foraging strategy (territorial or traplining) is also expected to influence plant mating. We hypothesize that the traplining behavior of hermits promotes outcrossing, whereas the behavior of non-hermits favours self-incompatibility. Thus, selection is expected to maintain self-incompatibility in plants pollinated by non-hermits. We explore the incidence of self-incompatibility in Neotropical hummingbird-pollinated plants and its association with hummingbird behavior and plant traits. We conducted a literature review (56 species) and performed hand-pollination experiments in 27 hummingbird-pollinated plants in an Atlantic rainforest. We found that self-incompatibility (measured as hummingbird-pollinated plants. The interaction of hummingbird and habit type affected ISI, as did phylogenetic relationships. Specifically, herbs pollinated by non-hermits had higher ISI than woody plants pollinated by non-hermits, and herbs pollinated by both hermits and non-hermits. For the Atlantic rainforest plant guild, 30 % of the species were self-incompatible. ISI was higher in herbs than in woody species and increased with plant aggregation but was not dependent on foraging behavior, plant density, or floral display. Although hummingbirds differ in their foraging strategies, these behavioral differences seem to have only a minor influence on the incidence of self-incompatibility. Phylogenetic relatedness seems to be the strongest determinant of mating system in Neotropical hummingbird-pollinated plants.
Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.
Liu, Zhihai; Su, Minyi; Han, Li; Liu, Jie; Yang, Qifan; Li, Yan; Wang, Renxiao
2017-02-21
In structure-based drug design, scoring functions are widely used for fast evaluation of protein-ligand interactions. They are often applied in combination with molecular docking and de novo design methods. Since the early 1990s, a whole spectrum of protein-ligand interaction scoring functions have been developed. Regardless of their technical difference, scoring functions all need data sets combining protein-ligand complex structures and binding affinity data for parametrization and validation. However, data sets of this kind used to be rather limited in terms of size and quality. On the other hand, standard metrics for evaluating scoring function used to be ambiguous. Scoring functions are often tested in molecular docking or even virtual screening trials, which do not directly reflect the genuine quality of scoring functions. Collectively, these underlying obstacles have impeded the invention of more advanced scoring functions. In this Account, we describe our long-lasting efforts to overcome these obstacles, which involve two related projects. On the first project, we have created the PDBbind database. It is the first database that systematically annotates the protein-ligand complexes in the Protein Data Bank (PDB) with experimental binding data. This database has been updated annually since its first public release in 2004. The latest release (version 2016) provides binding data for 16 179 biomolecular complexes in PDB. Data sets provided by PDBbind have been applied to many computational and statistical studies on protein-ligand interaction and various subjects. In particular, it has become a major data resource for scoring function development. On the second project, we have established the Comparative Assessment of Scoring Functions (CASF) benchmark for scoring function evaluation. Our key idea is to decouple the "scoring" process from the "sampling" process, so scoring functions can be tested in a relatively pure context to reflect their quality. In our
Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters
International Nuclear Information System (INIS)
Souza, Fabio A. L. de; Jorge, Francisco E.
2013-01-01
A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions augmented with diffuse functions for the atoms from H to Ar was constructed. A systematic study of basis sets required to obtain reliable and accurate values of static dipole polarizabilities of lithium and sodium clusters (n = 2, 4, 6 and 8) at their optimized equilibrium geometries is reported. Three methods are examined: Hartree-Fock (HF), second-order Moeller-Plesset perturbation theory (MP2), and density functional theory (DFT). By direct calculations or by fitting the directly calculated values through one extrapolation scheme, estimates of the HF, MP2 and DFT complete basis set limits were obtained. Comparison with experimental and theoretical data reported previously in the literature is done (author)
Basis set convergence on static electric dipole polarizability calculations of alkali-metal clusters
Energy Technology Data Exchange (ETDEWEB)
Souza, Fabio A. L. de; Jorge, Francisco E., E-mail: jorge@cce.ufes.br [Departamento de Fisica, Universidade Federal do Espirito Santo, 29060-900 Vitoria-ES (Brazil)
2013-07-15
A hierarchical sequence of all-electron segmented contracted basis sets of double, triple and quadruple zeta valence qualities plus polarization functions augmented with diffuse functions for the atoms from H to Ar was constructed. A systematic study of basis sets required to obtain reliable and accurate values of static dipole polarizabilities of lithium and sodium clusters (n = 2, 4, 6 and 8) at their optimized equilibrium geometries is reported. Three methods are examined: Hartree-Fock (HF), second-order Moeller-Plesset perturbation theory (MP2), and density functional theory (DFT). By direct calculations or by fitting the directly calculated values through one extrapolation scheme, estimates of the HF, MP2 and DFT complete basis set limits were obtained. Comparison with experimental and theoretical data reported previously in the literature is done (author)
Model's sparse representation based on reduced mixed GMsFE basis methods
Energy Technology Data Exchange (ETDEWEB)
Jiang, Lijian, E-mail: ljjiang@hnu.edu.cn [Institute of Mathematics, Hunan University, Changsha 410082 (China); Li, Qiuqi, E-mail: qiuqili@hnu.edu.cn [College of Mathematics and Econometrics, Hunan University, Changsha 410082 (China)
2017-06-01
In this paper, we propose a model's sparse representation based on reduced mixed generalized multiscale finite element (GMsFE) basis methods for elliptic PDEs with random inputs. A typical application for the elliptic PDEs is the flow in heterogeneous random porous media. Mixed generalized multiscale finite element method (GMsFEM) is one of the accurate and efficient approaches to solve the flow problem in a coarse grid and obtain the velocity with local mass conservation. When the inputs of the PDEs are parameterized by the random variables, the GMsFE basis functions usually depend on the random parameters. This leads to a large number degree of freedoms for the mixed GMsFEM and substantially impacts on the computation efficiency. In order to overcome the difficulty, we develop reduced mixed GMsFE basis methods such that the multiscale basis functions are independent of the random parameters and span a low-dimensional space. To this end, a greedy algorithm is used to find a set of optimal samples from a training set scattered in the parameter space. Reduced mixed GMsFE basis functions are constructed based on the optimal samples using two optimal sampling strategies: basis-oriented cross-validation and proper orthogonal decomposition. Although the dimension of the space spanned by the reduced mixed GMsFE basis functions is much smaller than the dimension of the original full order model, the online computation still depends on the number of coarse degree of freedoms. To significantly improve the online computation, we integrate the reduced mixed GMsFE basis methods with sparse tensor approximation and obtain a sparse representation for the model's outputs. The sparse representation is very efficient for evaluating the model's outputs for many instances of parameters. To illustrate the efficacy of the proposed methods, we present a few numerical examples for elliptic PDEs with multiscale and random inputs. In particular, a two-phase flow model in
Hekmatmanesh, Amin; Jamaloo, Fatemeh; Wu, Huapeng; Handroos, Heikki; Kilpeläinen, Asko
2018-04-01
Brain Computer Interface (BCI) can be a challenge for developing of robotic, prosthesis and human-controlled systems. This work focuses on the implementation of a common spatial pattern (CSP) base algorithm to detect event related desynchronization patterns. Utilizing famous previous work in this area, features are extracted by filter bank with common spatial pattern (FBCSP) method, and then weighted by a sensitive learning vector quantization (SLVQ) algorithm. In the current work, application of the radial basis function (RBF) as a mapping kernel of linear discriminant analysis (KLDA) method on the weighted features, allows the transfer of data into a higher dimension for more discriminated data scattering by RBF kernel. Afterwards, support vector machine (SVM) with generalized radial basis function (GRBF) kernel is employed to improve the efficiency and robustness of the classification. Averagely, 89.60% accuracy and 74.19% robustness are achieved. BCI Competition III, Iva data set is used to evaluate the algorithm for detecting right hand and foot imagery movement patterns. Results show that combination of KLDA with SVM-GRBF classifier makes 8.9% and 14.19% improvements in accuracy and robustness, respectively. For all the subjects, it is concluded that mapping the CSP features into a higher dimension by RBF and utilization GRBF as a kernel of SVM, improve the accuracy and reliability of the proposed method.
Piret, Cécile
2012-05-01
Much work has been done on reconstructing arbitrary surfaces using the radial basis function (RBF) method, but one can hardly find any work done on the use of RBFs to solve partial differential equations (PDEs) on arbitrary surfaces. In this paper, we investigate methods to solve PDEs on arbitrary stationary surfaces embedded in . R3 using the RBF method. We present three RBF-based methods that easily discretize surface differential operators. We take advantage of the meshfree character of RBFs, which give us a high accuracy and the flexibility to represent the most complex geometries in any dimension. Two out of the three methods, which we call the orthogonal gradients (OGr) methods are the result of our work and are hereby presented for the first time. © 2012 Elsevier Inc.
Energy Technology Data Exchange (ETDEWEB)
Permoon, M. R.; Haddadpour, H. [Sharif University of Tech, Tehran (Iran, Islamic Republic of); Rashidinia, J.; Parsa, A.; Salehi, R. [Iran University of Science and Technology, Tehran (Iran, Islamic Republic of)
2016-07-15
In this paper, the forced vibrations of the fractional viscoelastic beam with the Kelvin-Voigt fractional order constitutive relationship is studied. The equation of motion is derived from Newton's second law and the Galerkin method is used to discretize the equation of motion in to a set of linear ordinary differential equations. For solving the discretized equations, the radial basis functions and Sinc quadrature rule are used. In order to show the effectiveness and accuracy of this method, some test problem are considered, and it is shown that the obtained results are in very good agreement with exact solution. In the following, the proposed numerical solution is applied to exploring the effects of fractional parameters on the response of the beam and finally some conclusions are outlined.
Weatherford, Charles A.
1993-01-01
One version of the multichannel theory for electron-target scattering based on the Schwinger variational principle, the SMC method, requires the introduction of a projection parameter. The role of the projection parameter a is investigated and it is shown that the principal-value operator in the SMC equation is Hermitian regardless of the value of a as long as it is real and nonzero. In a basis that is properly orthonormalizable, the matrix representation of this operator is also Hermitian. The use of such basis is consistent with the Schwinger variational principle because the Lippmann-Schwinger equation automatically builds in the correct boundary conditions. Otherwise, an auxiliary condition needs to be introduced, and Takatsuka and McKoy's original value of a is one of the three possible ways to achieve Hermiticity. In all cases but one, a can be uncoupled from the Hermiticity condition and becomes a free parameter. An equation for a based on the variational stability of the scattering amplitude is derived; its solution has an interesting property that the scattering amplitude from a converged SMC calculation is independent of the choice of a even though the SMC operator itself is a-dependent. This property provides a sensitive test of the convergence of the calculation. For a static-exchange calculation, the convergence requirement only depends on the completeness of the one-electron basis, but for a general multichannel case, the a-invariance in the scattering amplitude requires both the one-electron basis and the N plus 1-electron basis to be complete. The role of a in the SMC equation and the convergence property are illustrated using two examples: e-CO elastic scattering in the static-exchange approximation, and a two-state treatment of the e-H2 Chi(sup 1)Sigma(sub g)(+) yields b(sup 3)Sigma(sub u)(+) excitation.
Hyperspherical Coulomb spheroidal basis in the Coulomb three-body problem
International Nuclear Information System (INIS)
Abramov, D. I.
2013-01-01
A hyperspherical Coulomb spheroidal (HSCS) representation is proposed for the Coulomb three-body problem. This is a new expansion in the set of well-known Coulomb spheroidal functions. The orthogonality of Coulomb spheroidal functions on a constant-hyperradius surface ρ = const rather than on a constant-internuclear-distance surface R = const, as in the traditional Born-Oppenheimer approach, is a distinguishing feature of the proposed approach. Owing to this, the HSCS representation proves to be consistent with the asymptotic conditions for the scattering problem at energies below the threshold for three-body breakup: only a finite number of radial functions do not vanish in the limit of ρ→∞, with the result that the formulation of the scattering problem becomes substantially simpler. In the proposed approach, the HSCS basis functions are considerably simpler than those in the well-known adiabatic hyperspherical representation, which is also consistent with the asymptotic conditions. Specifically, the HSCS basis functions are completely factorized. Therefore, there arise no problems associated with avoided crossings of adiabatic hyperspherical terms.
Empirical projection-based basis-component decomposition method
Brendel, Bernhard; Roessl, Ewald; Schlomka, Jens-Peter; Proksa, Roland
2009-02-01
Advances in the development of semiconductor based, photon-counting x-ray detectors stimulate research in the domain of energy-resolving pre-clinical and clinical computed tomography (CT). For counting detectors acquiring x-ray attenuation in at least three different energy windows, an extended basis component decomposition can be performed in which in addition to the conventional approach of Alvarez and Macovski a third basis component is introduced, e.g., a gadolinium based CT contrast material. After the decomposition of the measured projection data into the basis component projections, conventional filtered-backprojection reconstruction is performed to obtain the basis-component images. In recent work, this basis component decomposition was obtained by maximizing the likelihood-function of the measurements. This procedure is time consuming and often unstable for excessively noisy data or low intrinsic energy resolution of the detector. Therefore, alternative procedures are of interest. Here, we introduce a generalization of the idea of empirical dual-energy processing published by Stenner et al. to multi-energy, photon-counting CT raw data. Instead of working in the image-domain, we use prior spectral knowledge about the acquisition system (tube spectra, bin sensitivities) to parameterize the line-integrals of the basis component decomposition directly in the projection domain. We compare this empirical approach with the maximum-likelihood (ML) approach considering image noise and image bias (artifacts) and see that only moderate noise increase is to be expected for small bias in the empirical approach. Given the drastic reduction of pre-processing time, the empirical approach is considered a viable alternative to the ML approach.
The Labour Contract as a Basis of Appearance of Labour Relations
Вишновецька, Світлана Василівна; Національний авіаційний університет; Такаджі, Людмила Геннадіївна; Національний авіаційний університет
2016-01-01
The article is devoted to research of labour contract as a basis of appearance of labour relations. The problems of conclusion of labour contract, its entry into force, the time of appearance of the labour relationship are very topical. The labour contract is the main form of realization of the right to work, a basis of appearance of labour relations that makes legal base for their functioning. Before December 28th, 2014 the actual admission to work was a basis of appearance of labour relatio...
Conductance calculations with a wavelet basis set
DEFF Research Database (Denmark)
Thygesen, Kristian Sommer; Bollinger, Mikkel; Jacobsen, Karsten Wedel
2003-01-01
We present a method based on density functional theory (DFT) for calculating the conductance of a phase-coherent system. The metallic contacts and the central region where the electron scattering occurs, are treated on the same footing taking their full atomic and electronic structure into account....... The linear-response conductance is calculated from the Green's function which is represented in terms of a system-independent basis set containing wavelets with compact support. This allows us to rigorously separate the central region from the contacts and to test for convergence in a systematic way...
Zen, Andrea; Luo, Ye; Sorella, Sandro; Guidoni, Leonardo
2014-01-01
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure calculations which, in the last years, are encountering a growing interest thanks to their favorable scaling with the system size and their efficient parallelization, particularly suited for the modern high performance computing facilities. The ansatz of the wave function and its variational flexibility are crucial points for both the accurate description of molecular properties and the capabilities of the method to tackle large systems. In this paper, we extensively analyze, using different variational ansatzes, several properties of the water molecule, namely, the total energy, the dipole and quadrupole momenta, the ionization and atomization energies, the equilibrium configuration, and the harmonic and fundamental frequencies of vibration. The investigation mainly focuses on variational Monte Carlo calculations, although several lattice regularized diffusion Monte Carlo calculations are also reported. Through a systematic study, we provide a useful guide to the choice of the wave function, the pseudopotential, and the basis set for QMC calculations. We also introduce a new method for the computation of forces with finite variance on open systems and a new strategy for the definition of the atomic orbitals involved in the Jastrow-Antisymmetrised Geminal power wave function, in order to drastically reduce the number of variational parameters. This scheme significantly improves the efficiency of QMC energy minimization in case of large basis sets. PMID:24526929
Tuchina, Oksana; Koczan, Stefan; Harzsch, Steffen; Rybak, Jürgen; Wolff, Gabriella; Strausfeld, Nicholas J.; Hansson, Bill S.
2015-01-01
The Coenobitidae (Decapoda, Anomura, Paguroidea) is a taxon of hermit crabs that includes two genera with a fully terrestrial life style as adults. Previous studies have shown that Coenobitidae have evolved a sense of spatial odor localization that is behaviorally highly relevant. Here, we examined the central olfactory pathway of these animals by analyzing central projections of the antennular nerve of Coenobita clypeatus, combining backfilling of the nerve with dextran-coupled dye, Golgi impregnations and three-dimensional reconstruction of the primary olfactory center, the antennular lobe. The principal pattern of putative olfactory sensory afferents in C. clypeatus is in many aspects similar to what have been established for aquatic decapod crustaceans, such as the spiny lobster Panulirus argus. However, there are also obvious differences that may, or may not represent adaptations related to a terrestrial lifestyle. In C. clypeatus, the antennular lobe dominates the deutocerebrum, having more than one thousand allantoid-shaped subunits. We observed two distinct patterns of sensory neuron innervation: putative olfactory afferents from the aesthetascs either supply the cap/subcap region of the subunits or they extend through its full depth. Our data also demonstrate that any one sensory axon can supply input to several subunits. Putative chemosensory (non-aesthetasc) and mechanosensory axons represent a different pathway and innervate the lateral and median antennular neuropils. Hence, we suggest that the chemosensory input in C. clypeatus might be represented via a dual pathway: aesthetascs target the antennular lobe, and bimodal sensilla target the lateral antennular neuropil and median antennular neuropil. The present data is compared to related findings in other decapod crustaceans. PMID:26236202
Considering a non-polynomial basis for local kernel regression problem
Silalahi, Divo Dharma; Midi, Habshah
2017-01-01
A common used as solution for local kernel nonparametric regression problem is given using polynomial regression. In this study, we demonstrated the estimator and properties using maximum likelihood estimator for a non-polynomial basis such B-spline to replacing the polynomial basis. This estimator allows for flexibility in the selection of a bandwidth and a knot. The best estimator was selected by finding an optimal bandwidth and knot through minimizing the famous generalized validation function.
The s-Ordered Fock Space Projectors Gained by the General Ordering Theorem
International Nuclear Information System (INIS)
Shähandeh Farid; Bazrafkan Mohammad Reza; Ashrafi Mahmoud
2012-01-01
Employing the general ordering theorem (GOT), operational methods and incomplete 2-D Hermite polynomials, we derive the t-ordered expansion of Fock space projectors. Using the result, the general ordered form of the coherent state projectors is obtained. This indeed gives a new integration formula regarding incomplete 2-D Hermite polynomials. In addition, the orthogonality relation of the incomplete 2-D Hermite polynomials is derived to resolve Dattoli's failure
A Basis Function Approach to Simulate Storm Surge Events for Coastal Flood Risk Assessment
Wu, Wenyan; Westra, Seth; Leonard, Michael
2017-04-01
Storm surge is a significant contributor to flooding in coastal and estuarine regions, especially when it coincides with other flood producing mechanisms, such as extreme rainfall. Therefore, storm surge has always been a research focus in coastal flood risk assessment. Often numerical models have been developed to understand storm surge events for risk assessment (Kumagai et al. 2016; Li et al. 2016; Zhang et al. 2016) (Bastidas et al. 2016; Bilskie et al. 2016; Dalledonne and Mayerle 2016; Haigh et al. 2014; Kodaira et al. 2016; Lapetina and Sheng 2015), and assess how these events may change or evolve in the future (Izuru et al. 2015; Oey and Chou 2016). However, numeric models often require a lot of input information and difficulties arise when there are not sufficient data available (Madsen et al. 2015). Alternative, statistical methods have been used to forecast storm surge based on historical data (Hashemi et al. 2016; Kim et al. 2016) or to examine the long term trend in the change of storm surge events, especially under climate change (Balaguru et al. 2016; Oh et al. 2016; Rueda et al. 2016). In these studies, often the peak of surge events is used, which result in the loss of dynamic information within a tidal cycle or surge event (i.e. a time series of storm surge values). In this study, we propose an alternative basis function (BF) based approach to examine the different attributes (e.g. peak and durations) of storm surge events using historical data. Two simple two-parameter BFs were used: the exponential function and the triangular function. High quality hourly storm surge record from 15 tide gauges around Australia were examined. It was found that there are significantly location and seasonal variability in the peak and duration of storm surge events, which provides additional insights in coastal flood risk. In addition, the simple form of these BFs allows fast simulation of storm surge events and minimises the complexity of joint probability
System requirements and design description for the document basis database interface (DocBasis)
International Nuclear Information System (INIS)
Lehman, W.J.
1997-01-01
This document describes system requirements and the design description for the Document Basis Database Interface (DocBasis). The DocBasis application is used to manage procedures used within the tank farms. The application maintains information in a small database to track the document basis for a procedure, as well as the current version/modification level and the basis for the procedure. The basis for each procedure is substantiated by Administrative, Technical, Procedural, and Regulatory requirements. The DocBasis user interface was developed by Science Applications International Corporation (SAIC)
Roper, Ian P E; Besley, Nicholas A
2016-03-21
The simulation of X-ray emission spectra of transition metal complexes with time-dependent density functional theory (TDDFT) is investigated. X-ray emission spectra can be computed within TDDFT in conjunction with the Tamm-Dancoff approximation by using a reference determinant with a vacancy in the relevant core orbital, and these calculations can be performed using the frozen orbital approximation or with the relaxation of the orbitals of the intermediate core-ionised state included. Both standard exchange-correlation functionals and functionals specifically designed for X-ray emission spectroscopy are studied, and it is shown that the computed spectral band profiles are sensitive to the exchange-correlation functional used. The computed intensities of the spectral bands can be rationalised by considering the metal p orbital character of the valence molecular orbitals. To compute X-ray emission spectra with the correct energy scale allowing a direct comparison with experiment requires the relaxation of the core-ionised state to be included and the use of specifically designed functionals with increased amounts of Hartree-Fock exchange in conjunction with high quality basis sets. A range-corrected functional with increased Hartree-Fock exchange in the short range provides transition energies close to experiment and spectral band profiles that have a similar accuracy to those from standard functionals.
A two-center-oscillator-basis as an alternative set for heavy ion processes
International Nuclear Information System (INIS)
Tornow, V.; Reinhard, P.G.; Drechsel, D.
1977-01-01
The two-center-oscillator-basis, which is constructed from harmonic oscillator wave functions developing about two different centers, suffers from numerical problems at small center separations due to the overcompleteness of the set. In order to overcome these problems we admix higer oscillator wave functions before the orthogonalization, or antisymmetrization resp. This yields a numerically stable basis set at each center separation. The results obtained for the potential energy suface are comparable with the results of more elaborate models. (orig.) [de
First-principle modelling of forsterite surface properties: Accuracy of methods and basis sets.
Demichelis, Raffaella; Bruno, Marco; Massaro, Francesco R; Prencipe, Mauro; De La Pierre, Marco; Nestola, Fabrizio
2015-07-15
The seven main crystal surfaces of forsterite (Mg2 SiO4 ) were modeled using various Gaussian-type basis sets, and several formulations for the exchange-correlation functional within the density functional theory (DFT). The recently developed pob-TZVP basis set provides the best results for all properties that are strongly dependent on the accuracy of the wavefunction. Convergence on the structure and on the basis set superposition error-corrected surface energy can be reached also with poorer basis sets. The effect of adopting different DFT functionals was assessed. All functionals give the same stability order for the various surfaces. Surfaces do not exhibit any major structural differences when optimized with different functionals, except for higher energy orientations where major rearrangements occur around the Mg sites at the surface or subsurface. When dispersions are not accounted for, all functionals provide similar surface energies. The inclusion of empirical dispersions raises the energy of all surfaces by a nearly systematic value proportional to the scaling factor s of the dispersion formulation. An estimation for the surface energy is provided through adopting C6 coefficients that are more suitable than the standard ones to describe O-O interactions in minerals. A 2 × 2 supercell of the most stable surface (010) was optimized. No surface reconstruction was observed. The resulting structure and surface energy show no difference with respect to those obtained when using the primitive cell. This result validates the (010) surface model here adopted, that will serve as a reference for future studies on adsorption and reactivity of water and carbon dioxide at this interface. © 2015 Wiley Periodicals, Inc.
Kruse, Holger; Grimme, Stefan
2012-04-01
A semi-empirical counterpoise-type correction for basis set superposition error (BSSE) in molecular systems is presented. An atom pair-wise potential corrects for the inter- and intra-molecular BSSE in supermolecular Hartree-Fock (HF) or density functional theory (DFT) calculations. This geometrical counterpoise (gCP) denoted scheme depends only on the molecular geometry, i.e., no input from the electronic wave-function is required and hence is applicable to molecules with ten thousands of atoms. The four necessary parameters have been determined by a fit to standard Boys and Bernadi counterpoise corrections for Hobza's S66×8 set of non-covalently bound complexes (528 data points). The method's target are small basis sets (e.g., minimal, split-valence, 6-31G*), but reliable results are also obtained for larger triple-ζ sets. The intermolecular BSSE is calculated by gCP within a typical error of 10%-30% that proves sufficient in many practical applications. The approach is suggested as a quantitative correction in production work and can also be routinely applied to estimate the magnitude of the BSSE beforehand. The applicability for biomolecules as the primary target is tested for the crambin protein, where gCP removes intramolecular BSSE effectively and yields conformational energies comparable to def2-TZVP basis results. Good mutual agreement is also found with Jensen's ACP(4) scheme, estimating the intramolecular BSSE in the phenylalanine-glycine-phenylalanine tripeptide, for which also a relaxed rotational energy profile is presented. A variety of minimal and double-ζ basis sets combined with gCP and the dispersion corrections DFT-D3 and DFT-NL are successfully benchmarked on the S22 and S66 sets of non-covalent interactions. Outstanding performance with a mean absolute deviation (MAD) of 0.51 kcal/mol (0.38 kcal/mol after D3-refit) is obtained at the gCP-corrected HF-D3/(minimal basis) level for the S66 benchmark. The gCP-corrected B3LYP-D3/6-31G* model
Kruse, Holger; Grimme, Stefan
2012-04-21
A semi-empirical counterpoise-type correction for basis set superposition error (BSSE) in molecular systems is presented. An atom pair-wise potential corrects for the inter- and intra-molecular BSSE in supermolecular Hartree-Fock (HF) or density functional theory (DFT) calculations. This geometrical counterpoise (gCP) denoted scheme depends only on the molecular geometry, i.e., no input from the electronic wave-function is required and hence is applicable to molecules with ten thousands of atoms. The four necessary parameters have been determined by a fit to standard Boys and Bernadi counterpoise corrections for Hobza's S66×8 set of non-covalently bound complexes (528 data points). The method's target are small basis sets (e.g., minimal, split-valence, 6-31G*), but reliable results are also obtained for larger triple-ζ sets. The intermolecular BSSE is calculated by gCP within a typical error of 10%-30% that proves sufficient in many practical applications. The approach is suggested as a quantitative correction in production work and can also be routinely applied to estimate the magnitude of the BSSE beforehand. The applicability for biomolecules as the primary target is tested for the crambin protein, where gCP removes intramolecular BSSE effectively and yields conformational energies comparable to def2-TZVP basis results. Good mutual agreement is also found with Jensen's ACP(4) scheme, estimating the intramolecular BSSE in the phenylalanine-glycine-phenylalanine tripeptide, for which also a relaxed rotational energy profile is presented. A variety of minimal and double-ζ basis sets combined with gCP and the dispersion corrections DFT-D3 and DFT-NL are successfully benchmarked on the S22 and S66 sets of non-covalent interactions. Outstanding performance with a mean absolute deviation (MAD) of 0.51 kcal/mol (0.38 kcal/mol after D3-refit) is obtained at the gCP-corrected HF-D3/(minimal basis) level for the S66 benchmark. The gCP-corrected B3LYP-D3/6-31G* model
Chen, Qian; Liu, Guohai; Xu, Dezhi; Xu, Liang; Xu, Gaohong; Aamir, Nazir
2018-05-01
This paper proposes a new decoupled control for a five-phase in-wheel fault-tolerant permanent magnet (IW-FTPM) motor drive, in which radial basis function neural network inverse (RBF-NNI) and internal model control (IMC) are combined. The RBF-NNI system is introduced into original system to construct a pseudo-linear system, and IMC is used as a robust controller. Hence, the newly proposed control system incorporates the merits of the IMC and RBF-NNI methods. In order to verify the proposed strategy, an IW-FTPM motor drive is designed based on dSPACE real-time control platform. Then, the experimental results are offered to verify that the d-axis current and the rotor speed are successfully decoupled. Besides, the proposed motor drive exhibits strong robustness even under load torque disturbance.
Lima, C S; Barbosa, D; Ramos, J; Tavares, A; Monteiro, L; Carvalho, L
2008-01-01
This paper presents a system to support medical diagnosis and detection of abnormal lesions by processing capsule endoscopic images. Endoscopic images possess rich information expressed by texture. Texture information can be efficiently extracted from medium scales of the wavelet transform. The set of features proposed in this paper to code textural information is named color wavelet covariance (CWC). CWC coefficients are based on the covariances of second order textural measures, an optimum subset of them is proposed. Third and forth order moments are added to cope with distributions that tend to become non-Gaussian, especially in some pathological cases. The proposed approach is supported by a classifier based on radial basis functions procedure for the characterization of the image regions along the video frames. The whole methodology has been applied on real data containing 6 full endoscopic exams and reached 95% specificity and 93% sensitivity.
Sabour, Mohammad Reza; Moftakhari Anasori Movahed, Saman
2017-02-01
The soil sorption partition coefficient logK oc is an indispensable parameter that can be used in assessing the environmental risk of organic chemicals. In order to predict soil sorption partition coefficient for different and even unknown compounds in a fast and accurate manner, a radial basis function neural network (RBFNN) model was developed. Eight topological descriptors of 800 organic compounds were used as inputs of the model. These 800 organic compounds were chosen from a large and very diverse data set. Generalized Regression Neural Network (GRNN) was utilized as the function in this neural network model due to its capability to adapt very quickly. Hence, it can be used to predict logK oc for new chemicals, as well. Out of total data set, 560 organic compounds were used for training and 240 to test efficiency of the model. The obtained results indicate that the model performance is very well. The correlation coefficients (R2) for training and test sets were 0.995 and 0.933, respectively. The root-mean square errors (RMSE) were 0.2321 for training set and 0.413 for test set. As the results for both training and test set are extremely satisfactory, the proposed neural network model can be employed not only to predict logK oc of known compounds, but also to be adaptive for prediction of this value precisely for new products that enter the market each year. Copyright © 2016 Elsevier Ltd. All rights reserved.
Directory of Open Access Journals (Sweden)
Zihao Yang
Full Text Available A microstructure-dependent model for the free vibration and buckling analysis of an orthotropic functionally graded micro-plate was proposed on the basis of a re-modified couple stress theory. The macro- and microscopic anisotropy were simultaneously taken into account by introducing two material length scale parameters. The material attributes were assumed to vary continuously through the thickness direction by a power law. The governing equations and corresponding boundary conditions were derived through Hamilton’s principle. The Navier method was used to calculate the natural frequencies and buckling loads of a simply supported micro-plate. The numerical results indicated that the present model predicts higher natural frequencies and critical buckling loads than the classical model, particular when the geometric size of the micro-plates is comparable to the material length scale parameters, i.e., the scale effect is well represented. The scale effect becomes more noticeable as the material length scale parameters increase, the anisotropy weaken or the power law index increases, and vice versa. Keywords: Free vibration, Buckling, Functionally graded materials, Modified couple stress theory, Scale effect
Directory of Open Access Journals (Sweden)
M. Safish Mary
2012-04-01
Full Text Available Classification of large amount of data is a time consuming process but crucial for analysis and decision making. Radial Basis Function networks are widely used for classification and regression analysis. In this paper, we have studied the performance of RBF neural networks to classify the sales of cars based on the demand, using kernel density estimation algorithm which produces classification accuracy comparable to data classification accuracy provided by support vector machines. In this paper, we have proposed a new instance based data selection method where redundant instances are removed with help of a threshold thus improving the time complexity with improved classification accuracy. The instance based selection of the data set will help reduce the number of clusters formed thereby reduces the number of centers considered for building the RBF network. Further the efficiency of the training is improved by applying a hierarchical clustering technique to reduce the number of clusters formed at every step. The paper explains the algorithm used for classification and for conditioning the data. It also explains the complexities involved in classification of sales data for analysis and decision-making.
26 CFR 1.1014-4 - Uniformity of basis; adjustment to basis.
2010-04-01
...) INCOME TAX (CONTINUED) INCOME TAXES Basis Rules of General Application § 1.1014-4 Uniformity of basis... to property acquired by bequest, devise, or inheritance relate back to the death of the decedent... prescribing a general uniform basis rule for property acquired from a decedent is, on the one hand, to tax the...
Continuum contributions to dipole oscillator-strength sum rules for hydrogen in finite basis sets
DEFF Research Database (Denmark)
Oddershede, Jens; Ogilvie, John F.; Sauer, Stephan P. A.
2017-01-01
Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases, but that the conver......Calculations of the continuum contributions to dipole oscillator sum rules for hydrogen are performed using both exact and basis-set representations of the stick spectra of the continuum wave function. We show that the same results are obtained for the sum rules in both cases......, but that the convergence towards the final results with increasing excitation energies included in the sum over states is slower in the basis-set cases when we use the best basis. We argue also that this conclusion most likely holds also for larger atoms or molecules....
Chebyshev and Fourier spectral methods
Boyd, John P
2001-01-01
Completely revised text focuses on use of spectral methods to solve boundary value, eigenvalue, and time-dependent problems, but also covers Hermite, Laguerre, rational Chebyshev, sinc, and spherical harmonic functions, as well as cardinal functions, linear eigenvalue problems, matrix-solving methods, coordinate transformations, methods for unbounded intervals, spherical and cylindrical geometry, and much more. 7 Appendices. Glossary. Bibliography. Index. Over 160 text figures.
Formal method for analysis of multipattern recognition
International Nuclear Information System (INIS)
Yatsunenko, Yu.A.
1988-01-01
In the search for the global maximum position the integral approach is suggested. Hermit polinom coefficients, which present the row of disintegration of function symmetrized around the point sought for the global maximum are analyzed. Analogy for multidimensional function is considered. The iteration procedure of allocation of the global maxima region and the rule of search termination is proposed for discussion
The neurological basis of occupation.
Gutman, Sharon A; Schindler, Victoria P
2007-01-01
The purpose of the present paper was to survey the literature about the neurological basis of human activity and its relationship to occupation and health. Activities related to neurological function were organized into three categories: those that activate the brain's reward system; those that promote the relaxation response; and those that preserve cognitive function into old age. The results from the literature review correlating neurological evidence and activities showed that purposeful and meaningful activities could counter the effects of stress-related diseases and reduce the risk for dementia. Specifically, it was found that music, drawing, meditation, reading, arts and crafts, and home repairs, for example, can stimulate the neurogical system and enhance health and well-being, Prospective research studies are needed to examine the effects of purposeful activities on reducing stress and slowing the rate of cognitive decline.
Wigner's function and other distribution functions in mock phase space
International Nuclear Information System (INIS)
Balazs, N.L.
1984-01-01
This review deals with the methods of associating functions with quantum mechanical operators in such a manner that these functions should furnish conveniently semiclassical approximations. We present a unified treatment of methods and results which usually appear under expressions such as Wigner's function. Weyl's association, Kirkwood's expansion, Glauber's coherent state representation, etc.; we also construct some new associations. Section 1 gives the motivation by discussing the Thomas-Fermi theory of an atom with this end in view. Section 2 introduce new operators which resemble Dirac delta functions with operator arguments, the operators being the momenta and coordinates. Reasons are given as to why this should be useful. Next we introduce the notion of an operator basis, and discuss the possibility and usefulness of writing an operator as a linear combination of the basis operators. The coefficients in the linear combination are c-numbers and the c-numbers are associated with the operator (in that particularly basis). The delta function type operators introduced before can be used as a basis for the dynamical operators, and the c-numbers obtained in this manner turn out to be the c-number functions used by Wigner, Weyl, Krikwood, Glauber, etc. New bases and associations can now be invented at will. One such new basis is presented and discussed. The reason and motivations for choosing different bases is then explained. The copious and seemingly random mathematical relations between these functions are then nothing else but the relations between the expansion coefficients engendered by the relations between bases. These are shown and discussed in this light. A brief discussion is then given to possible transformation of the p, q labels. Section 3 gives examples of how the semiclassical expansions are generated for these functions and exhibits their equivalence. The mathematical paraphernalia are collected in the appendices. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Martin, Bradley, E-mail: brma7253@colorado.edu; Fornberg, Bengt, E-mail: Fornberg@colorado.edu
2017-04-15
In a previous study of seismic modeling with radial basis function-generated finite differences (RBF-FD), we outlined a numerical method for solving 2-D wave equations in domains with material interfaces between different regions. The method was applicable on a mesh-free set of data nodes. It included all information about interfaces within the weights of the stencils (allowing the use of traditional time integrators), and was shown to solve problems of the 2-D elastic wave equation to 3rd-order accuracy. In the present paper, we discuss a refinement of that method that makes it simpler to implement. It can also improve accuracy for the case of smoothly-variable model parameter values near interfaces. We give several test cases that demonstrate the method solving 2-D elastic wave equation problems to 4th-order accuracy, even in the presence of smoothly-curved interfaces with jump discontinuities in the model parameters.
Anitha, J.; Vijila, C. Kezi Selva; Hemanth, D. Jude
2010-02-01
Diabetic retinopathy (DR) is a chronic eye disease for which early detection is highly essential to avoid any fatal results. Image processing of retinal images emerge as a feasible tool for this early diagnosis. Digital image processing techniques involve image classification which is a significant technique to detect the abnormality in the eye. Various automated classification systems have been developed in the recent years but most of them lack high classification accuracy. Artificial neural networks are the widely preferred artificial intelligence technique since it yields superior results in terms of classification accuracy. In this work, Radial Basis function (RBF) neural network based bi-level classification system is proposed to differentiate abnormal DR Images and normal retinal images. The results are analyzed in terms of classification accuracy, sensitivity and specificity. A comparative analysis is performed with the results of the probabilistic classifier namely Bayesian classifier to show the superior nature of neural classifier. Experimental results show promising results for the neural classifier in terms of the performance measures.
Directory of Open Access Journals (Sweden)
Feilu Wang
2014-04-01
Full Text Available Research on tactile sensors to enhance their flexibility and ability of multi- dimensional information detection is a key issue to develop humanoid robots. In view of that the tactile sensor is often affected by noise, this paper adds different white Gaussian noises (WGN into the ideal model of flexible tactile sensors based on conductive rubber purposely, then improves the standard radial basis function neural network (RNFNN to deal with the noises. The modified RBFNN is applied to approximate and decouple the mapping relationship between row-column resistance with WGNs and three-dimensional deformation. Numerical experiments demonstrate that the decoupling result of the deformation for the sensor is quite good. The results show that the improved RBFNN which doesn’t rely on the mathematical model of the system has good anti-noise ability and robustness.
DEFF Research Database (Denmark)
Lee, Kyo-Beum; Blaabjerg, Frede
2005-01-01
A new scheme to estimate the moment of inertia in the servo motor drive system in very low speed is proposed in this paper. The speed estimation scheme in most servo drive systems for low speed operation is sensitive to the variation of machine parameter, especially the moment of inertia....... To estimate the motor inertia value, the observer using the Radial Basis Function Network (RBFN) is applied. A control law for stabilizing the system and adaptive laws for updating both of the weights in the RBFN and a bounding constant are established so that the whole closed-loop system is stable...... in the sense of Lyapunov. The effectiveness of the proposed inertia estimation is verified by simulations and experiments. It is concluded that the speed control performance in low speed region is improved with the proposed disturbance observer using RBFN....
International Nuclear Information System (INIS)
Kagramanov, E.D.; Nagiyev, Sh.M.; Mir-Kasimov, R.M.
1989-03-01
An exactly soluble problem for the finite-difference Schroedinger equation in the relativistic configurational space is considered. The appropriate finite-difference generalization of the factorization method is developed. The theory of new special functions ''the relativistic Hermite polynomials'', in which the solutions are expressed, is constructed. (author). 14 refs
Testing the normality assumption in the sample selection model with an application to travel demand
van der Klaauw, B.; Koning, R.H.
2003-01-01
In this article we introduce a test for the normality assumption in the sample selection model. The test is based on a flexible parametric specification of the density function of the error terms in the model. This specification follows a Hermite series with bivariate normality as a special case.
Testing the normality assumption in the sample selection model with an application to travel demand
van der Klauw, B.; Koning, R.H.
In this article we introduce a test for the normality assumption in the sample selection model. The test is based on a flexible parametric specification of the density function of the error terms in the model. This specification follows a Hermite series with bivariate normality as a special case.
White noise solutions to the stochastic mKdV equation
International Nuclear Information System (INIS)
Zhang Zhongjun; Wei Caimin
2009-01-01
In this paper, we present the white noise solutions of the stochastic mKdV equation via the Hermite transformation and variable-coefficient generalized projected Ricatti equation expansion method. These solutions include white noise solitary wave solutions, white noise soliton-like solutions and white noise trigonometric function solutions.
The genetic basis for altered blood vessel function in disease: large artery stiffening
Directory of Open Access Journals (Sweden)
Alex Agrotis
2005-12-01
Full Text Available Alex AgrotisThe Cell Biology Laboratory, Baker Heart Research Institute, Melbourne, Victoria, AustraliaAbstract: The progressive stiffening of the large arteries in humans that occurs during aging constitutes a potential risk factor for increased cardiovascular morbidity and mortality, and is accompanied by an elevation in systolic blood pressure and pulse pressure. While the underlying basis for these changes remains to be fully elucidated, factors that are able to influence the structure and composition of the extracellular matrix and the way it interacts with arterial smooth muscle cells could profoundly affect the properties of the large arteries. Thus, while age and sex represent important factors contributing to large artery stiffening, the variation in growth-stimulating factors and those that modulate extracellular production and homeostasis are also being increasingly recognized to play a key role in the process. Therefore, elucidating the contribution that genetic variation makes to large artery stiffening could ultimately provide the basis for clinical strategies designed to regulate the process for therapeutic benefit.Keywords: arterial stiffness, genes, polymorphism, extracellular matrix proteins
Lambrakos, S. G.
2018-04-01
Inverse thermal analysis of Ti-6Al-4V friction stir welds is presented that demonstrates application of a methodology using numerical-analytical basis functions and temperature-field constraint conditions. This analysis provides parametric representation of friction-stir-weld temperature histories that can be adopted as input data to computational procedures for prediction of solid-state phase transformations and mechanical response. These parameterized temperature histories can be used for inverse thermal analysis of friction stir welds having process conditions similar those considered here. Case studies are presented for inverse thermal analysis of friction stir welds that use three-dimensional constraint conditions on calculated temperature fields, which are associated with experimentally measured transformation boundaries and weld-stir-zone cross sections.
Chen, Jiajia; Zhao, Pan; Liang, Huawei; Mei, Tao
2014-09-18
The autonomous vehicle is an automated system equipped with features like environment perception, decision-making, motion planning, and control and execution technology. Navigating in an unstructured and complex environment is a huge challenge for autonomous vehicles, due to the irregular shape of road, the requirement of real-time planning, and the nonholonomic constraints of vehicle. This paper presents a motion planning method, based on the Radial Basis Function (RBF) neural network, to guide the autonomous vehicle in unstructured environments. The proposed algorithm extracts the drivable region from the perception grid map based on the global path, which is available in the road network. The sample points are randomly selected in the drivable region, and a gradient descent method is used to train the RBF network. The parameters of the motion-planning algorithm are verified through the simulation and experiment. It is observed that the proposed approach produces a flexible, smooth, and safe path that can fit any road shape. The method is implemented on autonomous vehicle and verified against many outdoor scenes; furthermore, a comparison of proposed method with the existing well-known Rapidly-exploring Random Tree (RRT) method is presented. The experimental results show that the proposed method is highly effective in planning the vehicle path and offers better motion quality.
Directory of Open Access Journals (Sweden)
Misganaw Abebe
2017-11-01
Full Text Available Springback in multi-point dieless forming (MDF is a common problem because of the small deformation and blank holder free boundary condition. Numerical simulations are widely used in sheet metal forming to predict the springback. However, the computational time in using the numerical tools is time costly to find the optimal process parameters value. This study proposes radial basis function (RBF to replace the numerical simulation model by using statistical analyses that are based on a design of experiment (DOE. Punch holding time, blank thickness, and curvature radius are chosen as effective process parameters for determining the springback. The Latin hypercube DOE method facilitates statistical analyses and the extraction of a prediction model in the experimental process parameter domain. Finite element (FE simulation model is conducted in the ABAQUS commercial software to generate the springback responses of the training and testing samples. The genetic algorithm is applied to find the optimal value for reducing and compensating the induced springback for the different blank thicknesses using the developed RBF prediction model. Finally, the RBF numerical result is verified by comparing with the FE simulation result of the optimal process parameters and both results show that the springback is almost negligible from the target shape.
Discerning The Motivational Basis For Trade Unionism In Public And ...
African Journals Online (AJOL)
Discerning The Motivational Basis For Trade Unionism In Public And Private ... private businesses are very clear to the actors of industrial relations; those of their ... selfish interests; unions in the public sector ought to function as uplift unions, ...
International Nuclear Information System (INIS)
Yu, Shiwei; Wang, Ke; Wei, Yi-Ming
2015-01-01
Highlights: • A hybrid self-adaptive PSO–GA-RBF model is proposed for electricity demand prediction. • Each mixed-coding particle is composed by two coding parts of binary and real. • Five independent variables have been selected to predict future electricity consumption in Wuhan. • The proposed model has a simpler structure or higher estimating precision than other ANN models. • No matter what the scenario, the electricity consumption of Wuhan will grow rapidly. - Abstract: The present study proposes a hybrid Particle Swarm Optimization and Genetic Algorithm optimized Radial Basis Function (PSO–GA-RBF) neural network for prediction of annual electricity demand. In the model, each mixed-coding particle (or chromosome) is composed of two coding parts, binary and real, which optimizes the structure of the RBF by GA operation and the parameters of the basis and weights by a PSO–GA implementation. Five independent variables have been selected to predict future electricity consumption in Wuhan by using optimized networks. The results shows that (1) the proposed PSO–GA-RBF model has a simpler network structure (fewer hidden neurons) or higher estimation precision than other selected ANN models; and (2) no matter what the scenario, the electricity consumption of Wuhan will grow rapidly at average annual growth rates of about 9.7–11.5%. By 2020, the electricity demand in the planning scenario, the highest among the scenarios, will be 95.85 billion kW h. The lowest demand is estimated for the business-as-usual scenario, and will be 88.45 billion kW h
International Nuclear Information System (INIS)
Arcos-Olalla, Rafael; Reyes, Marco A.; Rosu, Haret C.
2012-01-01
We introduce an alternative factorization of the Hamiltonian of the quantum harmonic oscillator which leads to a two-parameter self-adjoint operator from which the standard harmonic oscillator, the one-parameter oscillators introduced by Mielnik, and the Hermite operator are obtained in certain limits of the parameters. In addition, a single Bernoulli-type parameter factorization, which is different from the one introduced by M.A. Reyes, H.C. Rosu, and M.R. Gutiérrez [Phys. Lett. A 375 (2011) 2145], is briefly discussed in the final part of this work. -- Highlights: ► Factorizations with operators which are not mutually adjoint are presented. ► New two-parameter and one-parameter self-adjoint oscillator operators are introduced. ► Their eigenfunctions are two- and one-parameter deformed Hermite functions.
Energy Technology Data Exchange (ETDEWEB)
Arcos-Olalla, Rafael, E-mail: olalla@fisica.ugto.mx [Departamento de Física, DCI Campus León, Universidad de Guanajuato, Apdo. Postal E143, 37150 León, Gto. (Mexico); Reyes, Marco A., E-mail: marco@fisica.ugto.mx [Departamento de Física, DCI Campus León, Universidad de Guanajuato, Apdo. Postal E143, 37150 León, Gto. (Mexico); Rosu, Haret C., E-mail: hcr@ipicyt.edu.mx [IPICYT, Instituto Potosino de Investigacion Cientifica y Tecnologica, Apdo. Postal 3-74 Tangamanga, 78231 San Luis Potosí, S.L.P. (Mexico)
2012-10-01
We introduce an alternative factorization of the Hamiltonian of the quantum harmonic oscillator which leads to a two-parameter self-adjoint operator from which the standard harmonic oscillator, the one-parameter oscillators introduced by Mielnik, and the Hermite operator are obtained in certain limits of the parameters. In addition, a single Bernoulli-type parameter factorization, which is different from the one introduced by M.A. Reyes, H.C. Rosu, and M.R. Gutiérrez [Phys. Lett. A 375 (2011) 2145], is briefly discussed in the final part of this work. -- Highlights: ► Factorizations with operators which are not mutually adjoint are presented. ► New two-parameter and one-parameter self-adjoint oscillator operators are introduced. ► Their eigenfunctions are two- and one-parameter deformed Hermite functions.
Wave function of the Universe, preferred reference frame effects and metric signature transition
International Nuclear Information System (INIS)
Ghaffarnejad, Hossein
2015-01-01
Gravitational model of non-minimally coupled Brans Dicke (BD) scalar field 0 with dynamical unit time-like four vector field is used to study flat Robertson Walker (RW) cosmology in the presence of variable cosmological parameter V (ϕ) = Λϕ. Aim of the paper is to seek cosmological models which exhibit metric signature transition. The problem is studied in both classical and quantum cosmological approach with large values of BD parameter ω >> 1. Scale factor of RW metric is obtained as which describes nonsingular inflationary universe in Lorentzian signature sector. Euclidean signature sector of our solution describes a re-collapsing universe and is obtained from analytic continuation of the Lorentzian sector by exchanging . Dynamical vector field together with the BD scalar field are treated as fluid with time dependent barotropic index. They have regular (dark) matter dominance in the Euclidean (Lorentzian) sector. We solved Wheeler De Witt (WD) quantum wave equation of the cosmological system. Assuming a discrete non-zero ADM mass we obtained solutions of the WD equation as simple harmonic quantum Oscillator eigen functionals described by Hermite polynomials. Absolute values of these eigen functionals have nonzero values on the hypersurface in which metric field has signature degeneracy. Our eigen functionals describe nonzero probability of the space time with Lorentzian (Euclidean) signature for . Maximal probability corresponds to the ground state j = 0. (paper)
Molecular Basis of Cardiac Delayed Rectifier Potassium Channel Function and Pharmacology.
Wu, Wei; Sanguinetti, Michael C
2016-06-01
Human cardiomyocytes express 3 distinct types of delayed rectifier potassium channels. Human ether-a-go-go-related gene (hERG) channels conduct the rapidly activating current IKr; KCNQ1/KCNE1 channels conduct the slowly activating current IKs; and Kv1.5 channels conduct an ultrarapid activating current IKur. Here the authors provide a general overview of the mechanistic and structural basis of ion selectivity, gating, and pharmacology of the 3 types of cardiac delayed rectifier potassium ion channels. Most blockers bind to S6 residues that line the central cavity of the channel, whereas activators interact with the channel at 4 symmetric binding sites outside the cavity. Copyright © 2016 Elsevier Inc. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Srikannathasan, Velupillai; English, Grant [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom); Bui, Nhat Khai [Newcastle University, Newcastle upon Tyne NE2 4HH (United Kingdom); Trunk, Katharina; O’Rourke, Patrick E. F.; Rao, Vincenzo A. [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom); Vollmer, Waldemar [Newcastle University, Newcastle upon Tyne NE2 4HH (United Kingdom); Coulthurst, Sarah J., E-mail: s.j.coulthurst@dundee.ac.uk; Hunter, William N., E-mail: s.j.coulthurst@dundee.ac.uk [University of Dundee, Dundee DD1 5EH, Scotland (United Kingdom)
2013-12-01
Crystal structures of type VI secretion system-associated immunity proteins, a peptidoglycan endopeptidase and a complex of the endopeptidase and its cognate immunity protein are reported together with assays of endopeptidase activity and functional assessment. Some Gram-negative bacteria target their competitors by exploiting the type VI secretion system to extrude toxic effector proteins. To prevent self-harm, these bacteria also produce highly specific immunity proteins that neutralize these antagonistic effectors. Here, the peptidoglycan endopeptidase specificity of two type VI secretion-system-associated effectors from Serratia marcescens is characterized. These small secreted proteins, Ssp1 and Ssp2, cleave between γ-d-glutamic acid and l-meso-diaminopimelic acid with different specificities. Ssp2 degrades the acceptor part of cross-linked tetratetrapeptides. Ssp1 displays greater promiscuity and cleaves monomeric tripeptides, tetrapeptides and pentapeptides and dimeric tetratetra and tetrapenta muropeptides on both the acceptor and donor strands. Functional assays confirm the identity of a catalytic cysteine in these endopeptidases and crystal structures provide information on the structure–activity relationships of Ssp1 and, by comparison, of related effectors. Functional assays also reveal that neutralization of these effectors by their cognate immunity proteins, which are called resistance-associated proteins (Raps), contributes an essential role to cell fitness. The structures of two immunity proteins, Rap1a and Rap2a, responsible for the neutralization of Ssp1 and Ssp2-like endopeptidases, respectively, revealed two distinct folds, with that of Rap1a not having previously been observed. The structure of the Ssp1–Rap1a complex revealed a tightly bound heteromeric assembly with two effector molecules flanking a Rap1a dimer. A highly effective steric block of the Ssp1 active site forms the basis of effector neutralization. Comparisons with Ssp2–Rap2
International Nuclear Information System (INIS)
Srikannathasan, Velupillai; English, Grant; Bui, Nhat Khai; Trunk, Katharina; O’Rourke, Patrick E. F.; Rao, Vincenzo A.; Vollmer, Waldemar; Coulthurst, Sarah J.; Hunter, William N.
2013-01-01
Crystal structures of type VI secretion system-associated immunity proteins, a peptidoglycan endopeptidase and a complex of the endopeptidase and its cognate immunity protein are reported together with assays of endopeptidase activity and functional assessment. Some Gram-negative bacteria target their competitors by exploiting the type VI secretion system to extrude toxic effector proteins. To prevent self-harm, these bacteria also produce highly specific immunity proteins that neutralize these antagonistic effectors. Here, the peptidoglycan endopeptidase specificity of two type VI secretion-system-associated effectors from Serratia marcescens is characterized. These small secreted proteins, Ssp1 and Ssp2, cleave between γ-d-glutamic acid and l-meso-diaminopimelic acid with different specificities. Ssp2 degrades the acceptor part of cross-linked tetratetrapeptides. Ssp1 displays greater promiscuity and cleaves monomeric tripeptides, tetrapeptides and pentapeptides and dimeric tetratetra and tetrapenta muropeptides on both the acceptor and donor strands. Functional assays confirm the identity of a catalytic cysteine in these endopeptidases and crystal structures provide information on the structure–activity relationships of Ssp1 and, by comparison, of related effectors. Functional assays also reveal that neutralization of these effectors by their cognate immunity proteins, which are called resistance-associated proteins (Raps), contributes an essential role to cell fitness. The structures of two immunity proteins, Rap1a and Rap2a, responsible for the neutralization of Ssp1 and Ssp2-like endopeptidases, respectively, revealed two distinct folds, with that of Rap1a not having previously been observed. The structure of the Ssp1–Rap1a complex revealed a tightly bound heteromeric assembly with two effector molecules flanking a Rap1a dimer. A highly effective steric block of the Ssp1 active site forms the basis of effector neutralization. Comparisons with Ssp2–Rap2
Ortigue, S; Bianchi-Demicheli, F; Hamilton, A F de C; Grafton, S T
2007-07-01
Throughout the ages, love has been defined as a motivated and goal-directed mechanism with explicit and implicit mechanisms. Recent evidence demonstrated that the explicit representation of love recruits subcorticocortical pathways mediating reward, emotion, and motivation systems. However, the neural basis of the implicit (unconscious) representation of love remains unknown. To assess this question, we combined event-related functional magnetic resonance imaging (fMRI) with a behavioral subliminal priming paradigm embedded in a lexical decision task. In this task, the name of either a beloved partner, a neutral friend, or a passionate hobby was subliminally presented before a target stimulus (word, nonword, or blank), and participants were required to decide if the target was a word or not. Behavioral results showed that subliminal presentation of either a beloved's name (love prime) or a passion descriptor (passion prime) enhanced reaction times in a similar fashion. Subliminal presentation of a friend's name (friend prime) did not show any beneficial effects. Functional results showed that subliminal priming with a beloved's name (as opposed to either a friend's name or a passion descriptor) specifically recruited brain areas involved in abstract representations of others and the self, in addition to motivation circuits shared with other sources of passion. More precisely, love primes recruited the fusiform and angular gyri. Our findings suggest that love, as a subliminal prime, involves a specific neural network that surpasses a dopaminergic-motivation system.
Massobrio, C
2003-01-01
Density functional theory, in combination with a) a careful choice of the exchange-correlation part of the total energy and b) localized basis sets for the electronic orbital, has become the method of choice for calculating the exchange-couplings in magnetic molecular complexes. Orbital expansion on plane waves can be seen as an alternative basis set especially suited to allow optimization of newly synthesized materials of unknown geometries. However, little is known on the predictive power of this scheme to yield quantitative values for exchange coupling constants J as small as a few hundredths of eV (50-300 cm sup - sup 1). We have used density functional theory and a plane waves basis set to calculate the exchange couplings J of three homodinuclear Cu-based molecular complexes with experimental values ranging from +40 cm sup - sup 1 to -300 cm sup - sup 1. The plane waves basis set proves as accurate as the localized basis set, thereby suggesting that this approach can be reliably employed to predict and r...
International Nuclear Information System (INIS)
Massobrio, C.; Ruiz, E.
2003-01-01
Density functional theory, in combination with a) a careful choice of the exchange-correlation part of the total energy and b) localized basis sets for the electronic orbital, has become the method of choice for calculating the exchange-couplings in magnetic molecular complexes. Orbital expansion on plane waves can be seen as an alternative basis set especially suited to allow optimization of newly synthesized materials of unknown geometries. However, little is known on the predictive power of this scheme to yield quantitative values for exchange coupling constants J as small as a few hundredths of eV (50-300 cm -1 ). We have used density functional theory and a plane waves basis set to calculate the exchange couplings J of three homodinuclear Cu-based molecular complexes with experimental values ranging from +40 cm -1 to -300 cm -1 . The plane waves basis set proves as accurate as the localized basis set, thereby suggesting that this approach can be reliably employed to predict and rationalize the magnetic properties of molecular-based materials. (author)
Directory of Open Access Journals (Sweden)
HU Qi-guo
2017-01-01
Full Text Available For reducing the vehicle compartment low frequency noise, the Optimal Latin hypercube sampling method was applied to perform experimental design for sampling in the factorial design space. The thickness parameters of the panels with larger acoustic contribution was considered as factors, as well as the vehicle mass, seventh rank modal frequency of body, peak sound pressure of test point and sound pressure root-mean-square value as responses. By using the RBF(radial basis function neuro-network method, an approximation model of four responses about six factors was established. Further more, error analysis of established approximation model was performed in this paper. To optimize the panel’s thickness parameter, the adaptive simulated annealing algorithm was im-plemented. Optimization results show that the peak sound pressure of driver’s head was reduced by 4.45dB and 5.47dB at frequency 158HZ and 134Hz respec-tively. The test point pressure were significantly reduced at other frequency as well. The results indicate that through the optimization the vehicle interior cavity noise was reduced effectively, and the acoustical comfort of the vehicle was im-proved significantly.
International Nuclear Information System (INIS)
Pask, J.E.; Klein, B.M.; Fong, C.Y.; Sterne, P.A.
1999-01-01
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the method is completely general and its convergence can be controlled systematically. Because the basis functions are strictly local in real space, the method allows for variable resolution in real space; produces sparse, structured matrices, enabling the effective use of iterative solution methods; and is well suited to parallel implementation. The method thus combines the significant advantages of both real-space-grid and basis-oriented approaches and so promises to be particularly well suited for large, accurate ab initio calculations. We develop the theory of our approach in detail, discuss advantages and disadvantages, and report initial results, including electronic band structures and details of the convergence of the method. copyright 1999 The American Physical Society
Polynomial realization of the Uq (sl(3)) Gel'fand-(Weyl)-Zetlin basis
International Nuclear Information System (INIS)
Dobrev, V.K.; Truini, P.
1996-01-01
We give an explicit realization of the U ≡ U q (sl(3)) Gel'fand-(Weyl)-Zetlin (GWZ) basis as polynomial functions in three variables. This realization is obtained in two complementary ways. First we establish a 1-to-1 correspondence between the abstract GWZ basis and explicit polynomials in the quantum subgroup U + of the raising generators. We then use an explicit construction of arbitrary lowest weight (holomorphic) representations of U in terms of three variables on which the generators of U are realized as q-difference operators. Applying the GWZ corresponding polynomials in this realization to the lowest weight vector (the function 1) produces one realization of our GWZ basis. Another realization of the GWZ polynomial basis is found by the explicit diagonalization of the operators of isospin I-circumflex 2 , third component of isospin I-circumflex z , and hypercharge Y-circumflex, in the same realization as q-difference operators. The result is that the eigenvectors can be written in terms of q-hypergeometric polynomials in our three variables. Finally we construct an explicit scalar product (adapting the Shapovalov form to our setting). Using it we prove the orthogonality of our GWZ polynomials for which we use both realizations. This provides a polynomial construction for the orthonormal GWZ basis. We work for generic q, leaving the root of unity case for a following paper. It seems that our results are new also in the classical situation (q=1). (author). 20 refs
Dimension reduction of Karhunen-Loeve expansion for simulation of stochastic processes
Liu, Zhangjun; Liu, Zixin; Peng, Yongbo
2017-11-01
Conventional Karhunen-Loeve expansions for simulation of stochastic processes often encounter the challenge of dealing with hundreds of random variables. For breaking through the barrier, a random function embedded Karhunen-Loeve expansion method is proposed in this paper. The updated scheme has a similar form to the conventional Karhunen-Loeve expansion, both involving a summation of a series of deterministic orthonormal basis and uncorrelated random variables. While the difference from the updated scheme lies in the dimension reduction of Karhunen-Loeve expansion through introducing random functions as a conditional constraint upon uncorrelated random variables. The random function is expressed as a single-elementary-random-variable orthogonal function in polynomial format (non-Gaussian variables) or trigonometric format (non-Gaussian and Gaussian variables). For illustrative purposes, the simulation of seismic ground motion is carried out using the updated scheme. Numerical investigations reveal that the Karhunen-Loeve expansion with random functions could gain desirable simulation results in case of a moderate sample number, except the Hermite polynomials and the Laguerre polynomials. It has the sound applicability and efficiency in simulation of stochastic processes. Besides, the updated scheme has the benefit of integrating with probability density evolution method, readily for the stochastic analysis of nonlinear structures.
Preliminary Evaluation Methodology of ECCS Performance for Design Basis LOCA Redefinition
International Nuclear Information System (INIS)
Kang, Dong Gu; Ahn, Seung Hoon; Seul, Kwang Won
2010-01-01
To improve their existing regulations, the USNRC has made efforts to develop the risk-informed and performance-based regulation (RIPBR) approaches. As a part of these efforts, the rule revision of 10CFR50.46 (ECCS Acceptance Criteria) is underway, considering some options for 4 categories of spectrum of break sizes, ECCS functional reliability, ECCS evaluation model, and ECCS acceptance criteria. Since the potential for safety benefits and unnecessary burden reduction from design basis LOCA redefinition is high relative to other options, the USNRC is proceeding with the rulemaking for design basis LOCA redefinition. An instantaneous break with a flow rate equivalent to a double ended guillotine break (DEGB) of the largest primary piping system in the plant is widely recognized as an extremely unlikely event, while redefinition of design basis LOCA can affect the existing regulatory practices and approaches. In this study, the status of the design basis LOCA redefinition and OECD/NEA SMAP (Safety Margin Action Plan) methodology are introduced. Preliminary evaluation methodology of ECCS performance for LOCA is developed and discussed for design basis LOCA redefinition
International Nuclear Information System (INIS)
Vaziri, Nima; Hojabri, Alireza; Erfani, Ali; Monsefi, Mehrdad; Nilforooshan, Behnam
2007-01-01
Critical heat flux (CHF) is an important parameter for the design of nuclear reactors. Although many experimental and theoretical researches have been performed, there is not a single correlation to predict CHF because it is influenced by many parameters. These parameters are based on fixed inlet, local and fixed outlet conditions. Artificial neural networks (ANNs) have been applied to a wide variety of different areas such as prediction, approximation, modeling and classification. In this study, two types of neural networks, radial basis function (RBF) and multilayer perceptron (MLP), are trained with the experimental CHF data and their performances are compared. RBF predicts CHF with root mean square (RMS) errors of 0.24%, 7.9%, 0.16% and MLP predicts CHF with RMS errors of 1.29%, 8.31% and 2.71%, in fixed inlet conditions, local conditions and fixed outlet conditions, respectively. The results show that neural networks with RBF structure have superior performance in CHF data prediction over MLP neural networks. The parametric trends of CHF obtained by the trained ANNs are also evaluated and results reported
Deblurring of class-averaged images in single-particle electron microscopy
International Nuclear Information System (INIS)
Park, Wooram; Chirikjian, Gregory S; Madden, Dean R; Rockmore, Daniel N
2010-01-01
This paper proposes a method for the deblurring of class-averaged images in single-particle electron microscopy (EM). Since EM images of biological samples are very noisy, the images which are nominally identical projection images are often grouped, aligned and averaged in order to cancel or reduce the background noise. However, the noise in the individual EM images generates errors in the alignment process, which creates an inherent limit on the accuracy of the resulting class averages. This inaccurate class average due to the alignment errors can be viewed as the result of a convolution of an underlying clear image with a blurring function. In this work, we develop a deconvolution method that gives an estimate for the underlying clear image from a blurred class-averaged image using precomputed statistics of misalignment. Since this convolution is over the group of rigid-body motions of the plane, SE(2), we use the Fourier transform for SE(2) in order to convert the convolution into a matrix multiplication in the corresponding Fourier space. For practical implementation we use a Hermite-function-based image modeling technique, because Hermite expansions enable lossless Cartesian-polar coordinate conversion using the Laguerre–Fourier expansions, and Hermite expansion and Laguerre–Fourier expansion retain their structures under the Fourier transform. Based on these mathematical properties, we can obtain the deconvolution of the blurred class average using simple matrix multiplication. Tests of the proposed deconvolution method using synthetic and experimental EM images confirm the performance of our method
Accident beyond the design basis management with the coolant loss at the NPP with WWER
International Nuclear Information System (INIS)
Skalozubov, V.I.; Klyuchnikov, A.A.; Kolykhanov, V.N.
2010-01-01
The analysis of status and experience of development on modelling and accident beyond the design basis management, including the severe accidents, at the nuclear power plants is carried out. The methodical providing of manuals on the accident beyond the design basis management with the coolant loss on the basis of simulated critical system configurations providing the necessary safety function performance on reactor unit is proposed. The project of symptom-oriented manuals on accident beyond the design basis management with the coolant loss on the serial power unit with WWER-1000 on the basis of developed methodical providing and well known results of deepened safety analysis is presented.
Rational Density Functional Selection Using Game Theory.
McAnanama-Brereton, Suzanne; Waller, Mark P
2018-01-22
Theoretical chemistry has a paradox of choice due to the availability of a myriad of density functionals and basis sets. Traditionally, a particular density functional is chosen on the basis of the level of user expertise (i.e., subjective experiences). Herein we circumvent the user-centric selection procedure by describing a novel approach for objectively selecting a particular functional for a given application. We achieve this by employing game theory to identify optimal functional/basis set combinations. A three-player (accuracy, complexity, and similarity) game is devised, through which Nash equilibrium solutions can be obtained. This approach has the advantage that results can be systematically improved by enlarging the underlying knowledge base, and the deterministic selection procedure mathematically justifies the density functional and basis set selections.
Defense-in-depth approach against a beyond design basis event
Energy Technology Data Exchange (ETDEWEB)
Hoang, H., E-mail: Hoa.hoang@ge.com [GE Hitachi Nuclear Energy, 1989 Little Orchard St., 95125 San Jose, California (United States)
2013-10-15
The US industry, with the approval of the Nuclear Regulatory Commission, is promoting an approach to add diverse and flexible mitigation strategies, or Flex, that will increase the defense-in-depth capability for the nuclear power plants in the event of beyond design basis event, such as at the Fukushima Dai-ichi station. The objective of Flex is to establish and indefinite coping capability to prevent damage to the fuel in the core and spent fuel pool, and to maintain the containment function by utilizing installed equipment, on-site portable equipment and pre-staged off-site resources. This capability will address both an extended loss of all Ac power and a loss of ultimate heat sink which could arise following a design basis event with additional failures, and conditions from a beyond design basis event. (author)
Defense-in-depth approach against a beyond design basis event
International Nuclear Information System (INIS)
Hoang, H.
2013-10-01
The US industry, with the approval of the Nuclear Regulatory Commission, is promoting an approach to add diverse and flexible mitigation strategies, or Flex, that will increase the defense-in-depth capability for the nuclear power plants in the event of beyond design basis event, such as at the Fukushima Dai-ichi station. The objective of Flex is to establish and indefinite coping capability to prevent damage to the fuel in the core and spent fuel pool, and to maintain the containment function by utilizing installed equipment, on-site portable equipment and pre-staged off-site resources. This capability will address both an extended loss of all Ac power and a loss of ultimate heat sink which could arise following a design basis event with additional failures, and conditions from a beyond design basis event. (author)
Preconditioning cubic spline collocation method by FEM and FDM for elliptic equations
Energy Technology Data Exchange (ETDEWEB)
Kim, Sang Dong [KyungPook National Univ., Taegu (Korea, Republic of)
1996-12-31
In this talk we discuss the finite element and finite difference technique for the cubic spline collocation method. For this purpose, we consider the uniformly elliptic operator A defined by Au := -{Delta}u + a{sub 1}u{sub x} + a{sub 2}u{sub y} + a{sub 0}u in {Omega} (the unit square) with Dirichlet or Neumann boundary conditions and its discretization based on Hermite cubic spline spaces and collocation at the Gauss points. Using an interpolatory basis with support on the Gauss points one obtains the matrix A{sub N} (h = 1/N).
Functional Parallel Factor Analysis for Functions of One- and Two-dimensional Arguments.
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.
Mohamed Yacin, S; Srinivasa Chakravarthy, V; Manivannan, M
2011-11-01
Extraction of extra-cardiac information from photoplethysmography (PPG) signal is a challenging research problem with significant clinical applications. In this study, radial basis function neural network (RBFNN) is used to reconstruct the gastric myoelectric activity (GMA) slow wave from finger PPG signal. Finger PPG and GMA (measured using Electrogastrogram, EGG) signals were acquired simultaneously at the sampling rate of 100 Hz from ten healthy subjects. Discrete wavelet transform (DWT) was used to extract slow wave (0-0.1953 Hz) component from the finger PPG signal; this slow wave PPG was used to reconstruct EGG. A RBFNN is trained on signals obtained from six subjects in both fasting and postprandial conditions. The trained network is tested on data obtained from the remaining four subjects. In the earlier study, we have shown the presence of GMA information in finger PPG signal using DWT and cross-correlation method. In this study, we explicitly reconstruct gastric slow wave from finger PPG signal by the proposed RBFNN-based method. It was found that the network-reconstructed slow wave provided significantly higher (P wave than the correlation obtained (≈0.7) between the PPG slow wave from DWT and the EEG slow wave. Our results showed that a simple finger PPG signal can be used to reconstruct gastric slow wave using RBFNN method.
International Nuclear Information System (INIS)
Casa, L D C; Krueger, P S
2013-01-01
Unstructured three-dimensional fluid velocity data were interpolated using Gaussian radial basis function (RBF) interpolation. Data were generated to imitate the spatial resolution and experimental uncertainty of a typical implementation of defocusing digital particle image velocimetry. The velocity field associated with a steadily rotating infinite plate was simulated to provide a bounded, fully three-dimensional analytical solution of the Navier–Stokes equations, allowing for robust analysis of the interpolation accuracy. The spatial resolution of the data (i.e. particle density) and the number of RBFs were varied in order to assess the requirements for accurate interpolation. Interpolation constraints, including boundary conditions and continuity, were included in the error metric used for the least-squares minimization that determines the interpolation parameters to explore methods for improving RBF interpolation results. Even spacing and logarithmic spacing of RBF locations were also investigated. Interpolation accuracy was assessed using the velocity field, divergence of the velocity field, and viscous torque on the rotating boundary. The results suggest that for the present implementation, RBF spacing of 0.28 times the boundary layer thickness is sufficient for accurate interpolation, though theoretical error analysis suggests that improved RBF positioning may yield more accurate results. All RBF interpolation results were compared to standard Gaussian weighting and Taylor expansion interpolation methods. Results showed that RBF interpolation improves interpolation results compared to the Taylor expansion method by 60% to 90% based on the average squared velocity error and provides comparable velocity results to Gaussian weighted interpolation in terms of velocity error. RMS accuracy of the flow field divergence was one to two orders of magnitude better for the RBF interpolation compared to the other two methods. RBF interpolation that was applied to
Rai, Prashant; Sargsyan, Khachik; Najm, Habib; Hermes, Matthew R.; Hirata, So
2017-09-01
A new method is proposed for a fast evaluation of high-dimensional integrals of potential energy surfaces (PES) that arise in many areas of quantum dynamics. It decomposes a PES into a canonical low-rank tensor format, reducing its integral into a relatively short sum of products of low-dimensional integrals. The decomposition is achieved by the alternating least squares (ALS) algorithm, requiring only a small number of single-point energy evaluations. Therefore, it eradicates a force-constant evaluation as the hotspot of many quantum dynamics simulations and also possibly lifts the curse of dimensionality. This general method is applied to the anharmonic vibrational zero-point and transition energy calculations of molecules using the second-order diagrammatic vibrational many-body Green's function (XVH2) theory with a harmonic-approximation reference. In this application, high dimensional PES and Green's functions are both subjected to a low-rank decomposition. Evaluating the molecular integrals over a low-rank PES and Green's functions as sums of low-dimensional integrals using the Gauss-Hermite quadrature, this canonical-tensor-decomposition-based XVH2 (CT-XVH2) achieves an accuracy of 0.1 cm-1 or higher and nearly an order of magnitude speedup as compared with the original algorithm using force constants for water and formaldehyde.
Pricing and simulation for real estate index options: Radial basis point interpolation
Gong, Pu; Zou, Dong; Wang, Jiayue
2018-06-01
This study employs the meshfree radial basis point interpolation (RBPI) for pricing real estate derivatives contingent on real estate index. This method combines radial and polynomial basis functions, which can guarantee the interpolation scheme with Kronecker property and effectively improve accuracy. An exponential change of variables, a mesh refinement algorithm and the Richardson extrapolation are employed in this study to implement the RBPI. Numerical results are presented to examine the computational efficiency and accuracy of our method.
Avian magnetic compass: Its functional properties and physical basis
Directory of Open Access Journals (Sweden)
Roswitha WILTSCHKO, Wolfgang WILTSCHKO
2010-06-01
Full Text Available The avian magnetic compass was analyzed in bird species of three different orders – Passeriforms, Columbiforms and Galliforms – and in three different behavioral contexts, namely migratory orientation, homing and directional conditioning. The respective findings indicate similar functional properties: it is an inclination compass that works only within a functional window around the ambient magnetic field intensity; it tends to be lateralized in favor of the right eye, and it is wavelength-dependent, requiring light from the short-wavelength range of the spectrum. The underlying physical mechanisms have been identified as radical pair processes, spin-chemical reactions in specialized photopigments. The iron-based receptors in the upper beak do not seem to be involved. The existence of the same type of magnetic compass in only very distantly related bird species suggests that it may have been present already in the common ancestors of all modern birds, where it evolved as an all-purpose compass mechanism for orientation within the home range [Current Zoology 56 (3: 265–276, 2010].
Gap probabilities for edge intervals in finite Gaussian and Jacobi unitary matrix ensembles
International Nuclear Information System (INIS)
Witte, N.S.; Forrester, P.J.
1999-01-01
The probabilities for gaps in the eigenvalue spectrum of the finite dimension N x N random matrix Hermite and Jacobi unitary ensembles on some single and disconnected double intervals are found. These are cases where a reflection symmetry exists and the probability factors into two other related probabilities, defined on single intervals. Our investigation uses the system of partial differential equations arising from the Fredholm determinant expression for the gap probability and the differential-recurrence equations satisfied by Hermite and Jacobi orthogonal polynomials. In our study we find second and third order nonlinear ordinary differential equations defining the probabilities in the general N case, specific explicit solutions for N = 1 and N = 2, asymptotic expansions, scaling at the edge of the Hermite spectrum as N →∞ and the Jacobi to Hermite limit both of which make correspondence to other cases reported here or known previously. (authors)
Burnett, Gregory Clell
1999-10-01
The definition, use, and physiological basis of Glottal Electromagnetic Micropower Sensors (GEMS) is presented. These sensors are a new type of low power (excitation function for the human vocal tract. For the first time, an excitation function may be calculated in near real time using a noninvasive procedure. Several experiments and models are presented to demonstrate that the GEMS signal is representative of the motion of the subglottal posterior wall of the trachea as it vibrates in response to the pressure changes caused by the folds as they modulate the airflow supplied by the lungs. The vibrational properties of the tracheal wall are modeled using a lumped-element circuit model. Taking the output of the vocal tract to be the audio pressure captured by a microphone and the input to be the subglottal pressure, the transfer function of the vocal tract (including the nasal cavities) can be approximated every 10-30 milliseconds using an autoregressive moving-average model. Unlike the currently utilized method of transfer function approximation, this new method only involves noninvasive GEMS measurements and digital signal processing and does not demand the difficult task of obtaining precise physical measurements of the tract and subsequent estimation of the transfer function using its cross-sectional area. The ability to measure the physical motion of the trachea enables a significant number of potential applications, ranging from very accurate pitch detection to speech synthesis, speaker verification, and speech recognition.
Cellular and molecular basis of chronic constipation: Taking the functional/idiopathic label out
Bassotti, Gabrio; Villanacci, Vincenzo; Creƫoiu, Dragos; Creƫoiu, Sanda Maria; Becheanu, Gabriel
2013-01-01
In recent years, the improvement of technology and the increase in knowledge have shifted several strongly held paradigms. This is particularly true in gastroenterology, and specifically in the field of the so-called “functional” or “idiopathic” disease, where conditions thought for decades to be based mainly on alterations of visceral perception or aberrant psychosomatic mechanisms have, in fact, be reconducted to an organic basis (or, at the very least, have shown one or more demonstrable a...
On the use of Locally Dense Basis Sets in the Calculation of EPR Hyperfine Couplings
DEFF Research Database (Denmark)
Hedegård, Erik D.; Sauer, Stephan P. A.; Milhøj, Birgitte O.
2013-01-01
The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site in the c......The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site...
On the use of locally dense basis sets in the calculation of EPR hyperfine couplings
DEFF Research Database (Denmark)
Milhøj, Birgitte Olai; Hedegård, Erik D.; Sauer, Stephan P. A.
2013-01-01
The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site in the c......The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site...
Lekala, M. L.; Chakrabarti, B.; Das, T. K.; Rampho, G. J.; Sofianos, S. A.; Adam, R. M.; Haldar, S. K.
2017-05-01
We study the ground-state and the low-lying excitations of a trapped Bose gas in an isotropic harmonic potential for very small (˜ 3) to very large (˜ 10^7) particle numbers. We use the two-body correlated basis functions and the shape-dependent van der Waals interaction in our many-body calculations. We present an exhaustive study of the effect of inter-atomic correlations and the accuracy of the mean-field equations considering a wide range of particle numbers. We calculate the ground-state energy and the one-body density for different values of the van der Waals parameter C6. We compare our results with those of the modified Gross-Pitaevskii results, the correlated Hartree hypernetted-chain equations (which also utilize the two-body correlated basis functions), as well as of the diffusion Monte Carlo for hard sphere interactions. We observe the effect of the attractive tail of the van der Waals potential in the calculations of the one-body density over the truly repulsive zero-range potential as used in the Gross-Pitaevskii equation and discuss the finite-size effects. We also present the low-lying collective excitations which are well described by a hydrodynamic model in the large particle limit.
Directory of Open Access Journals (Sweden)
Tatar Afshin
2016-03-01
Full Text Available Raw natural gases usually contain water. It is very important to remove the water from these gases through dehydration processes due to economic reasons and safety considerations. One of the most important methods for water removal from these gases is using dehydration units which use Triethylene glycol (TEG. The TEG concentration at which all water is removed and dew point characteristics of mixture are two important parameters, which should be taken into account in TEG dehydration system. Hence, developing a reliable and accurate model to predict the performance of such a system seems to be very important in gas engineering operations. This study highlights the use of intelligent modeling techniques such as Multilayer perceptron (MLP and Radial Basis Function Neural Network (RBF-ANN to predict the equilibrium water dew point in a stream of natural gas based on the TEG concentration of stream and contractor temperature. Literature data set used in this study covers temperatures from 10 °C to 80 °C and TEG concentrations from 90.000% to 99.999%. Results showed that both models are accurate in prediction of experimental data and the MLP model gives more accurate predictions compared to RBF model.
The Functional Basis of Wing Patterning in Heliconius Butterflies: The Molecules Behind Mimicry
Kronforst, Marcus R.; Papa, Riccardo
2015-01-01
Wing-pattern mimicry in butterflies has provided an important example of adaptation since Charles Darwin and Alfred Russell Wallace proposed evolution by natural selection >150 years ago. The neotropical butterfly genus Heliconius played a central role in the development of mimicry theory and has since been studied extensively in the context of ecology and population biology, behavior, and mimicry genetics. Heliconius species are notable for their diverse color patterns, and previous crossing experiments revealed that much of this variation is controlled by a small number of large-effect, Mendelian switch loci. Recent comparative analyses have shown that the same switch loci control wing-pattern diversity throughout the genus, and a number of these have now been positionally cloned. Using a combination of comparative genetic mapping, association tests, and gene expression analyses, variation in red wing patterning throughout Heliconius has been traced back to the action of the transcription factor optix. Similarly, the signaling ligand WntA has been shown to control variation in melanin patterning across Heliconius and other butterflies. Our understanding of the molecular basis of Heliconius mimicry is now providing important insights into a variety of additional evolutionary phenomena, including the origin of supergenes, the interplay between constraint and evolvability, the genetic basis of convergence, the potential for introgression to facilitate adaptation, the mechanisms of hybrid speciation in animals, and the process of ecological speciation. PMID:25953905
The Kustaanheimo-Stiefel transformation and certain special functions
International Nuclear Information System (INIS)
Kibler, M.; Negadi, T.; Ronveaux, A.
1984-10-01
The Kustaanheimo-Stiefel transformation is briefly described in various frameworks. This transformation is used to convert the R 3 harmonics into R 4 harmonics. Then, the Schroedinger equation for an hydrogen-like atom is transformed into the set of a coupled pair of Schroedinger equations for two R 2 isotropic harmonic oscillators and a coupled pair of constraint relations. This connection between two famous quantization cases is tackled in terms of both eigenvalues and eigenvectors corresponding to the discrete spectrum of the hydrogen atom. This leads to an integral involving Laguerre, Legendre, and Hermite polynomials. A program has been realized in the algebraic and symbolic programming system macsyma to cover the various computing aspects of this work
Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the lanthanides La–Lu
Dyall, K.G.; Gomes, A.S.P.; Visscher, L.
2010-01-01
Relativistic basis sets of double-zeta, triple-zeta, and quadruple-zeta quality have been optimized for the lanthanide elements La-Lu. The basis sets include SCF exponents for the occupied spinors and for the 6p shell, exponents of correlating functions for the valence shells (4f, 5d and 6s) and the
Le, Nguyen-Quoc-Khanh; Nguyen, Trinh-Trung-Duong; Ou, Yu-Yen
2017-05-01
The electron transport proteins have an important role in storing and transferring electrons in cellular respiration, which is the most proficient process through which cells gather energy from consumed food. According to the molecular functions, the electron transport chain components could be formed with five complexes with several different electron carriers and functions. Therefore, identifying the molecular functions in the electron transport chain is vital for helping biologists understand the electron transport chain process and energy production in cells. This work includes two phases for discriminating electron transport proteins from transport proteins and classifying categories of five complexes in electron transport proteins. In the first phase, the performances from PSSM with AAIndex feature set were successful in identifying electron transport proteins in transport proteins with achieved sensitivity of 73.2%, specificity of 94.1%, and accuracy of 91.3%, with MCC of 0.64 for independent data set. With the second phase, our method can approach a precise model for identifying of five complexes with different molecular functions in electron transport proteins. The PSSM with AAIndex properties in five complexes achieved MCC of 0.51, 0.47, 0.42, 0.74, and 1.00 for independent data set, respectively. We suggest that our study could be a power model for determining new proteins that belongs into which molecular function of electron transport proteins. Copyright © 2017 Elsevier Inc. All rights reserved.