Sample records for accurate gaussian basis

  1. Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields.

    PubMed

    Zhu, Wuming; Trickey, S B

    2017-12-28

    In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li + , Be + , and B + , in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B

  2. Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fields

    NASA Astrophysics Data System (ADS)

    Zhu, Wuming; Trickey, S. B.

    2017-12-01

    In high magnetic field calculations, anisotropic Gaussian type orbital (AGTO) basis functions are capable of reconciling the competing demands of the spherically symmetric Coulombic interaction and cylindrical magnetic (B field) confinement. However, the best available a priori procedure for composing highly accurate AGTO sets for atoms in a strong B field [W. Zhu et al., Phys. Rev. A 90, 022504 (2014)] yields very large basis sets. Their size is problematical for use in any calculation with unfavorable computational cost scaling. Here we provide an alternative constructive procedure. It is based upon analysis of the underlying physics of atoms in B fields that allow identification of several principles for the construction of AGTO basis sets. Aided by numerical optimization and parameter fitting, followed by fine tuning of fitting parameters, we devise formulae for generating accurate AGTO basis sets in an arbitrary B field. For the hydrogen iso-electronic sequence, a set depends on B field strength, nuclear charge, and orbital quantum numbers. For multi-electron systems, the basis set formulae also include adjustment to account for orbital occupations. Tests of the new basis sets for atoms H through C (1 ≤ Z ≤ 6) and ions Li+, Be+, and B+, in a wide B field range (0 ≤ B ≤ 2000 a.u.), show an accuracy better than a few μhartree for single-electron systems and a few hundredths to a few mHs for multi-electron atoms. The relative errors are similar for different atoms and ions in a large B field range, from a few to a couple of tens of millionths, thereby confirming rather uniform accuracy across the nuclear charge Z and B field strength values. Residual basis set errors are two to three orders of magnitude smaller than the electronic correlation energies in multi-electron atoms, a signal of the usefulness of the new AGTO basis sets in correlated wavefunction or density functional calculations for atomic and molecular systems in an external strong B field.

  3. A novel Gaussian-Sinc mixed basis set for electronic structure calculations

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

    Jerke, Jonathan L.; Lee, Young; Tymczak, C. J.

    2015-08-14

    A Gaussian-Sinc basis set methodology is presented for the calculation of the electronic structure of atoms and molecules at the Hartree–Fock level of theory. This methodology has several advantages over previous methods. The all-electron electronic structure in a Gaussian-Sinc mixed basis spans both the “localized” and “delocalized” regions. A basis set for each region is combined to make a new basis methodology—a lattice of orthonormal sinc functions is used to represent the “delocalized” regions and the atom-centered Gaussian functions are used to represent the “localized” regions to any desired accuracy. For this mixed basis, all the Coulomb integrals are definablemore » and can be computed in a dimensional separated methodology. Additionally, the Sinc basis is translationally invariant, which allows for the Coulomb singularity to be placed anywhere including on lattice sites. Finally, boundary conditions are always satisfied with this basis. To demonstrate the utility of this method, we calculated the ground state Hartree–Fock energies for atoms up to neon, the diatomic systems H{sub 2}, O{sub 2}, and N{sub 2}, and the multi-atom system benzene. Together, it is shown that the Gaussian-Sinc mixed basis set is a flexible and accurate method for solving the electronic structure of atomic and molecular species.« less

  4. Accurate Gaussian basis sets for atomic and molecular calculations obtained from the generator coordinate method with polynomial discretization.

    PubMed

    Celeste, Ricardo; Maringolo, Milena P; Comar, Moacyr; Viana, Rommel B; Guimarães, Amanda R; Haiduke, Roberto L A; da Silva, Albérico B F

    2015-10-01

    Accurate Gaussian basis sets for atoms from H to Ba were obtained by means of the generator coordinate Hartree-Fock (GCHF) method based on a polynomial expansion to discretize the Griffin-Wheeler-Hartree-Fock equations (GWHF). The discretization of the GWHF equations in this procedure is based on a mesh of points not equally distributed in contrast with the original GCHF method. The results of atomic Hartree-Fock energies demonstrate the capability of these polynomial expansions in designing compact and accurate basis sets to be used in molecular calculations and the maximum error found when compared to numerical values is only 0.788 mHartree for indium. Some test calculations with the B3LYP exchange-correlation functional for N2, F2, CO, NO, HF, and HCN show that total energies within 1.0 to 2.4 mHartree compared to the cc-pV5Z basis sets are attained with our contracted bases with a much smaller number of polarization functions (2p1d and 2d1f for hydrogen and heavier atoms, respectively). Other molecular calculations performed here are also in very good accordance with experimental and cc-pV5Z results. The most important point to be mentioned here is that our generator coordinate basis sets required only a tiny fraction of the computational time when compared to B3LYP/cc-pV5Z calculations.

  5. On the Use of a Mixed Gaussian/Finite-Element Basis Set for the Calculation of Rydberg States

    NASA Technical Reports Server (NTRS)

    Thuemmel, Helmar T.; Langhoff, Stephen (Technical Monitor)

    1996-01-01

    Configuration-interaction studies are reported for the Rydberg states of the helium atom using mixed Gaussian/finite-element (GTO/FE) one particle basis sets. Standard Gaussian valence basis sets are employed, like those, used extensively in quantum chemistry calculations. It is shown that the term values for high-lying Rydberg states of the helium atom can be obtained accurately (within 1 cm -1), even for a small GTO set, by augmenting the n-particle space with configurations, where orthonormalized interpolation polynomials are singly occupied.

  6. On the optimization of Gaussian basis sets

    NASA Astrophysics Data System (ADS)

    Petersson, George A.; Zhong, Shijun; Montgomery, John A.; Frisch, Michael J.

    2003-01-01

    A new procedure for the optimization of the exponents, αj, of Gaussian basis functions, Ylm(ϑ,φ)rle-αjr2, is proposed and evaluated. The direct optimization of the exponents is hindered by the very strong coupling between these nonlinear variational parameters. However, expansion of the logarithms of the exponents in the orthonormal Legendre polynomials, Pk, of the index, j: ln αj=∑k=0kmaxAkPk((2j-2)/(Nprim-1)-1), yields a new set of well-conditioned parameters, Ak, and a complete sequence of well-conditioned exponent optimizations proceeding from the even-tempered basis set (kmax=1) to a fully optimized basis set (kmax=Nprim-1). The error relative to the exact numerical self-consistent field limit for a six-term expansion is consistently no more than 25% larger than the error for the completely optimized basis set. Thus, there is no need to optimize more than six well-conditioned variational parameters, even for the largest sets of Gaussian primitives.

  7. Gaussian basis functions for highly oscillatory scattering wavefunctions

    NASA Astrophysics Data System (ADS)

    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.

  8. Relativistic well-tempered Gaussian basis sets for helium through mercury

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

    Okada, S.; Matsuoka, O.

    1989-10-01

    Exponent parameters of the nonrelativistically optimized well-tempered Gaussian basis sets of Huzinaga and Klobukowski have been employed for Dirac--Fock--Roothaan calculations without their reoptimization. For light atoms He (atomic number {ital Z}=2)--Rh ({ital Z}=45), the number of exponent parameters used has been the same as the nonrelativistic basis sets and for heavier atoms Pd ({ital Z}=46)--Hg({ital Z}=80), two 2{ital p} (and three 3{ital d}) Gaussian basis functions have been augmented. The scheme of kinetic energy balance and the uniformly charged sphere model of atomic nuclei have been adopted. The qualities of the calculated basis sets are close to the Dirac--Fock limit.

  9. Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocation.

    PubMed

    Manzhos, Sergei; Carrington, Tucker

    2016-12-14

    We demonstrate that it is possible to use basis functions that depend on curvilinear internal coordinates to compute vibrational energy levels without deriving a kinetic energy operator (KEO) and without numerically computing coefficients of a KEO. This is done by using a space-fixed KEO and computing KEO matrix elements numerically. Whenever one has an excellent basis, more accurate solutions to the Schrödinger equation can be obtained by computing the KEO, potential, and overlap matrix elements numerically. Using a Gaussian basis and bond coordinates, we compute vibrational energy levels of formaldehyde. We show, for the first time, that it is possible with a Gaussian basis to solve a six-dimensional vibrational Schrödinger equation. For the zero-point energy (ZPE) and the lowest 50 vibrational transitions of H 2 CO, we obtain a mean absolute error of less than 1 cm -1 ; with 200 000 collocation points and 40 000 basis functions, most errors are less than 0.4 cm -1 .

  10. Using an internal coordinate Gaussian basis and a space-fixed Cartesian coordinate kinetic energy operator to compute a vibrational spectrum with rectangular collocation

    NASA Astrophysics Data System (ADS)

    Manzhos, Sergei; Carrington, Tucker

    2016-12-01

    We demonstrate that it is possible to use basis functions that depend on curvilinear internal coordinates to compute vibrational energy levels without deriving a kinetic energy operator (KEO) and without numerically computing coefficients of a KEO. This is done by using a space-fixed KEO and computing KEO matrix elements numerically. Whenever one has an excellent basis, more accurate solutions to the Schrödinger equation can be obtained by computing the KEO, potential, and overlap matrix elements numerically. Using a Gaussian basis and bond coordinates, we compute vibrational energy levels of formaldehyde. We show, for the first time, that it is possible with a Gaussian basis to solve a six-dimensional vibrational Schrödinger equation. For the zero-point energy (ZPE) and the lowest 50 vibrational transitions of H2CO, we obtain a mean absolute error of less than 1 cm-1; with 200 000 collocation points and 40 000 basis functions, most errors are less than 0.4 cm-1.

  11. Efficient Bayesian hierarchical functional data analysis with basis function approximations using Gaussian-Wishart processes.

    PubMed

    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.

  12. On the performance of large Gaussian basis sets for the computation of total atomization energies

    NASA Technical Reports Server (NTRS)

    Martin, J. M. L.

    1992-01-01

    The total atomization energies of a number of molecules have been computed using an augmented coupled-cluster method and (5s4p3d2f1g) and 4s3p2d1f) atomic natural orbital (ANO) basis sets, as well as the correlation consistent valence triple zeta plus polarization (cc-pVTZ) correlation consistent valence quadrupole zeta plus polarization (cc-pVQZ) basis sets. The performance of ANO and correlation consistent basis sets is comparable throughout, although the latter can result in significant CPU time savings. Whereas the inclusion of g functions has significant effects on the computed Sigma D(e) values, chemical accuracy is still not reached for molecules involving multiple bonds. A Gaussian-1 (G) type correction lowers the error, but not much beyond the accuracy of the G1 model itself. Using separate corrections for sigma bonds, pi bonds, and valence pairs brings down the mean absolute error to less than 1 kcal/mol for the spdf basis sets, and about 0.5 kcal/mol for the spdfg basis sets. Some conclusions on the success of the Gaussian-1 and Gaussian-2 models are drawn.

  13. High quality Gaussian basis sets for fourth-row atoms

    NASA Technical Reports Server (NTRS)

    Partridge, Harry; Faegri, Knut, Jr.

    1992-01-01

    Energy optimized Gaussian basis sets of triple-zeta quality for the atoms Rb-Xe have been derived. Two series of basis sets are developed: (24s 16p 10d) and (26s 16p 10d) sets which were expanded to 13d and 19p functions as the 4d and 5p shells become occupied. For the atoms lighter than Cd, the (24s 16p 10d) sets with triple-zeta valence distributions are higher in energy than the corresponding double-zeta distribution. To ensure a triple-zeta distribution and a global energy minimum, the (26s 16p 10d) sets were derived. Total atomic energies from the largest basis sets are between 198 and 284 (mu)E(sub H) above the numerical Hartree-Fock energies.

  14. Large-Scale Cubic-Scaling Random Phase Approximation Correlation Energy Calculations Using a Gaussian Basis.

    PubMed

    Wilhelm, Jan; Seewald, Patrick; Del Ben, Mauro; Hutter, Jürg

    2016-12-13

    We present an algorithm for computing the correlation energy in the random phase approximation (RPA) in a Gaussian basis requiring [Formula: see text] operations and [Formula: see text] memory. The method is based on the resolution of the identity (RI) with the overlap metric, a reformulation of RI-RPA in the Gaussian basis, imaginary time, and imaginary frequency integration techniques, and the use of sparse linear algebra. Additional memory reduction without extra computations can be achieved by an iterative scheme that overcomes the memory bottleneck of canonical RPA implementations. We report a massively parallel implementation that is the key for the application to large systems. Finally, cubic-scaling RPA is applied to a thousand water molecules using a correlation-consistent triple-ζ quality basis.

  15. Relation of exact Gaussian basis methods to the dephasing representation: Theory and application to time-resolved electronic spectra

    NASA Astrophysics Data System (ADS)

    Sulc, Miroslav; Hernandez, Henar; Martinez, Todd J.; Vanicek, Jiri

    2014-03-01

    We recently showed that the Dephasing Representation (DR) provides an efficient tool for computing ultrafast electronic spectra and that cellularization yields further acceleration [M. Šulc and J. Vaníček, Mol. Phys. 110, 945 (2012)]. Here we focus on increasing its accuracy by first implementing an exact Gaussian basis method (GBM) combining the accuracy of quantum dynamics and efficiency of classical dynamics. The DR is then derived together with ten other methods for computing time-resolved spectra with intermediate accuracy and efficiency. These include the Gaussian DR (GDR), an exact generalization of the DR, in which trajectories are replaced by communicating frozen Gaussians evolving classically with an average Hamiltonian. The methods are tested numerically on time correlation functions and time-resolved stimulated emission spectra in the harmonic potential, pyrazine S0 /S1 model, and quartic oscillator. Both the GBM and the GDR are shown to increase the accuracy of the DR. Surprisingly, in chaotic systems the GDR can outperform the presumably more accurate GBM, in which the two bases evolve separately. This research was supported by the Swiss NSF Grant No. 200021_124936/1 and NCCR Molecular Ultrafast Science & Technology (MUST), and by the EPFL.

  16. Relativistic well-tempered Gaussian basis sets for helium through mercury. Breit interaction included

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

    Okada, S.; Shinada, M.; Matsuoka, O.

    1990-10-01

    A systematic calculation of new relativistic Gaussian basis sets is reported. The new basis sets are similar to the previously reported ones (J. Chem. Phys. {bold 91}, 4193 (1989)), but, in the calculation, the Breit interaction has been explicitly included besides the Dirac--Coulomb Hamiltonian. They have been adopted for the calculation of the self-consistent field effect on the Breit interaction energies and are expected to be useful for the studies on higher-order effects such as the electron correlations and other quantum electrodynamical effects.

  17. Ultrasound beam transmission using a discretely orthogonal Gaussian aperture basis

    NASA Astrophysics Data System (ADS)

    Roberts, R. A.

    2018-04-01

    Work is reported on development of a computational model for ultrasound beam transmission at an arbitrary geometry transmission interface for generally anisotropic materials. The work addresses problems encountered when the fundamental assumptions of ray theory do not hold, thereby introducing errors into ray-theory-based transmission models. Specifically, problems occur when the asymptotic integral analysis underlying ray theory encounters multiple stationary phase points in close proximity, due to focusing caused by concavity on either the entry surface or a material slowness surface. The approach presented here projects integrands over both the transducer aperture and the entry surface beam footprint onto a Gaussian-derived basis set, thereby distributing the integral over a summation of second-order phase integrals which are amenable to single stationary phase point analysis. Significantly, convergence is assured provided a sufficiently fine distribution of basis functions is used.

  18. Gaussianization for fast and accurate inference from cosmological data

    NASA Astrophysics Data System (ADS)

    Schuhmann, Robert L.; Joachimi, Benjamin; Peiris, Hiranya V.

    2016-06-01

    We present a method to transform multivariate unimodal non-Gaussian posterior probability densities into approximately Gaussian ones via non-linear mappings, such as Box-Cox transformations and generalizations thereof. This permits an analytical reconstruction of the posterior from a point sample, like a Markov chain, and simplifies the subsequent joint analysis with other experiments. This way, a multivariate posterior density can be reported efficiently, by compressing the information contained in Markov Chain Monte Carlo samples. Further, the model evidence integral (I.e. the marginal likelihood) can be computed analytically. This method is analogous to the search for normal parameters in the cosmic microwave background, but is more general. The search for the optimally Gaussianizing transformation is performed computationally through a maximum-likelihood formalism; its quality can be judged by how well the credible regions of the posterior are reproduced. We demonstrate that our method outperforms kernel density estimates in this objective. Further, we select marginal posterior samples from Planck data with several distinct strongly non-Gaussian features, and verify the reproduction of the marginal contours. To demonstrate evidence computation, we Gaussianize the joint distribution of data from weak lensing and baryon acoustic oscillations, for different cosmological models, and find a preference for flat Λcold dark matter. Comparing to values computed with the Savage-Dickey density ratio, and Population Monte Carlo, we find good agreement of our method within the spread of the other two.

  19. Application of ab initio many-body perturbation theory with Gaussian basis sets to the singlet and triplet excitations of organic molecules

    NASA Astrophysics Data System (ADS)

    Hamed, Samia; Rangel, Tonatiuh; Bruneval, Fabien; Neaton, Jeffrey B.

    Quantitative understanding of charged and neutral excitations of organic molecules is critical in diverse areas of study that include astrophysics and the development of energy technologies that are clean and efficient. The recent use of local basis sets with ab initio many-body perturbation theory in the GW approximation and the Bethe-Saltpeter equation approach (BSE), methods traditionally applied to periodic condensed phases with a plane-wave basis, has opened the door to detailed study of such excitations for molecules, as well as accurate numerical benchmarks. Here, through a series of systematic benchmarks with a Gaussian basis, we report on the extent to which the predictive power and utility of this approach depend critically on interdependent underlying approximations and choices for molecules, including the mean-field starting point (eg optimally-tuned range separated hybrids, pure DFT functionals, and untuned hybrids), the GW scheme, and the Tamm Dancoff approximation. We demonstrate the effects of these choices in the context of Thiels' set while drawing analogies to linear-response time-dependent DFT and making comparisons to best theoretical estimates from higher-order wavefunction-based theories.

  20. On the representation of the diffracted field of Hermite-Gaussian modes in an alien basis and the young diffraction principle

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

    Smirnov, V.N.; Strokovskii, G.A.

    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.

  1. Quantum steering of Gaussian states via non-Gaussian measurements

    NASA Astrophysics Data System (ADS)

    Ji, Se-Wan; Lee, Jaehak; Park, Jiyong; Nha, Hyunchul

    2016-07-01

    Quantum steering—a strong correlation to be verified even when one party or its measuring device is fully untrusted—not only provides a profound insight into quantum physics but also offers a crucial basis for practical applications. For continuous-variable (CV) systems, Gaussian states among others have been extensively studied, however, mostly confined to Gaussian measurements. While the fulfilment of Gaussian criterion is sufficient to detect CV steering, whether it is also necessary for Gaussian states is a question of fundamental importance in many contexts. This critically questions the validity of characterizations established only under Gaussian measurements like the quantification of steering and the monogamy relations. Here, we introduce a formalism based on local uncertainty relations of non-Gaussian measurements, which is shown to manifest quantum steering of some Gaussian states that Gaussian criterion fails to detect. To this aim, we look into Gaussian states of practical relevance, i.e. two-mode squeezed states under a lossy and an amplifying Gaussian channel. Our finding significantly modifies the characteristics of Gaussian-state steering so far established such as monogamy relations and one-way steering under Gaussian measurements, thus opening a new direction for critical studies beyond Gaussian regime.

  2. Explicitly-correlated Gaussian geminals in electronic structure calculations

    NASA Astrophysics Data System (ADS)

    Szalewicz, Krzysztof; Jeziorski, Bogumił

    2010-11-01

    Explicitly correlated functions have been used since 1929, but initially only for two-electron systems. In 1960, Boys and Singer showed that if the correlating factor is of Gaussian form, many-electron integrals can be computed for general molecules. The capability of explicitly correlated Gaussian (ECG) functions to accurately describe many-electron atoms and molecules was demonstrated only in the early 1980s when Monkhorst, Zabolitzky and the present authors cast the many-body perturbation theory (MBPT) and coupled cluster (CC) equations as a system of integro-differential equations and developed techniques of solving these equations with two-electron ECG functions (Gaussian-type geminals, GTG). This work brought a new accuracy standard to MBPT/CC calculations. In 1985, Kutzelnigg suggested that the linear r 12 correlating factor can also be employed if n-electron integrals, n > 2, are factorised with the resolution of identity. Later, this factor was replaced by more general functions f (r 12), most often by ? , usually represented as linear combinations of Gaussian functions which makes the resulting approach (called F12) a special case of the original GTG expansion. The current state-of-art is that, for few-electron molecules, ECGs provide more accurate results than any other basis available, but for larger systems the F12 approach is the method of choice, giving significant improvements over orbital calculations.

  3. Accurately modeling Gaussian beam propagation in the context of Monte Carlo techniques

    NASA Astrophysics Data System (ADS)

    Hokr, Brett H.; Winblad, Aidan; Bixler, Joel N.; Elpers, Gabriel; Zollars, Byron; Scully, Marlan O.; Yakovlev, Vladislav V.; Thomas, Robert J.

    2016-03-01

    Monte Carlo simulations are widely considered to be the gold standard for studying the propagation of light in turbid media. However, traditional Monte Carlo methods fail to account for diffraction because they treat light as a particle. This results in converging beams focusing to a point instead of a diffraction limited spot, greatly effecting the accuracy of Monte Carlo simulations near the focal plane. Here, we present a technique capable of simulating a focusing beam in accordance to the rules of Gaussian optics, resulting in a diffraction limited focal spot. This technique can be easily implemented into any traditional Monte Carlo simulation allowing existing models to be converted to include accurate focusing geometries with minimal effort. We will present results for a focusing beam in a layered tissue model, demonstrating that for different scenarios the region of highest intensity, thus the greatest heating, can change from the surface to the focus. The ability to simulate accurate focusing geometries will greatly enhance the usefulness of Monte Carlo for countless applications, including studying laser tissue interactions in medical applications and light propagation through turbid media.

  4. New deconvolution method for microscopic images based on the continuous Gaussian radial basis function interpolation model.

    PubMed

    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.

  5. Performance assessment of density functional methods with Gaussian and Slater basis sets using 7σ orbital momentum distributions of N2O

    NASA Astrophysics Data System (ADS)

    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

  6. Gaussian Boson Sampling.

    PubMed

    Hamilton, Craig S; Kruse, Regina; Sansoni, Linda; Barkhofen, Sonja; Silberhorn, Christine; Jex, Igor

    2017-10-27

    Boson sampling has emerged as a tool to explore the advantages of quantum over classical computers as it does not require universal control over the quantum system, which favors current photonic experimental platforms. Here, we introduce Gaussian Boson sampling, a classically hard-to-solve problem that uses squeezed states as a nonclassical resource. We relate the probability to measure specific photon patterns from a general Gaussian state in the Fock basis to a matrix function called the Hafnian, which answers the last remaining question of sampling from Gaussian states. Based on this result, we design Gaussian Boson sampling, a #P hard problem, using squeezed states. This demonstrates that Boson sampling from Gaussian states is possible, with significant advantages in the photon generation probability, compared to existing protocols.

  7. Efficient evaluation of Coulomb integrals in a mixed Gaussian and plane-wave basis using the density fitting and Cholesky decomposition.

    PubMed

    Čársky, Petr; Čurík, Roman; Varga, Štefan

    2012-03-21

    The objective of this paper is to show that the density fitting (resolution of the identity approximation) can also be applied to Coulomb integrals of the type (k(1)(1)k(2)(1)|g(1)(2)g(2)(2)), where k and g symbols refer to plane-wave functions and gaussians, respectively. We have shown how to achieve the accuracy of these integrals that is needed in wave-function MO and density functional theory-type calculations using mixed Gaussian and plane-wave basis sets. The crucial issues for achieving such a high accuracy are application of constraints for conservation of the number electrons and components of the dipole moment, optimization of the auxiliary basis set, and elimination of round-off errors in the matrix inversion. © 2012 American Institute of Physics

  8. Tables Of Gaussian-Type Orbital Basis Functions

    NASA Technical Reports Server (NTRS)

    Partridge, Harry

    1992-01-01

    NASA technical memorandum contains tables of estimated Hartree-Fock wave functions for atoms lithium through neon and potassium through krypton. Sets contain optimized Gaussian-type orbital exponents and coefficients, and near Hartree-Fock quality. Orbital exponents optimized by minimizing restricted Hartree-Fock energy via scaled Newton-Raphson scheme in which Hessian evaluated numerically by use of analytically determined gradients.

  9. Kinetic balance and variational bounds failure in the solution of the Dirac equation in a finite Gaussian basis set

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.; Faegri, Knut, Jr.

    1990-01-01

    The paper investigates bounds failure in calculations using Gaussian basis sets for the solution of the one-electron Dirac equation for the 2p1/2 state of Hg(79+). It is shown that bounds failure indicates inadequacies in the basis set, both in terms of the exponent range and the number of functions. It is also shown that overrepresentation of the small component space may lead to unphysical results. It is concluded that it is important to use matched large and small component basis sets with an adequate size and exponent range.

  10. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L =1

    NASA Astrophysics Data System (ADS)

    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.

  11. Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L=1.

    PubMed

    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.

  12. Assessing the utility of phase-space-localized basis functions: Exploiting direct product structure and a new basis function selection procedure

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

    Brown, James, E-mail: 9jhb3@queensu.ca; Carrington, Tucker, E-mail: Tucker.Carrington@queensu.ca

    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 themore » 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.« less

  13. Diffusion weighted imaging in patients with rectal cancer: Comparison between Gaussian and non-Gaussian models

    PubMed Central

    Marias, Kostas; Lambregts, Doenja M. J.; Nikiforaki, Katerina; van Heeswijk, Miriam M.; Bakers, Frans C. H.; Beets-Tan, Regina G. H.

    2017-01-01

    Purpose The purpose of this study was to compare the performance of four diffusion models, including mono and bi-exponential both Gaussian and non-Gaussian models, in diffusion weighted imaging of rectal cancer. Material and methods Nineteen patients with rectal adenocarcinoma underwent MRI examination of the rectum before chemoradiation therapy including a 7 b-value diffusion sequence (0, 25, 50, 100, 500, 1000 and 2000 s/mm2) at a 1.5T scanner. Four different diffusion models including mono- and bi-exponential Gaussian (MG and BG) and non-Gaussian (MNG and BNG) were applied on whole tumor volumes of interest. Two different statistical criteria were recruited to assess their fitting performance, including the adjusted-R2 and Root Mean Square Error (RMSE). To decide which model better characterizes rectal cancer, model selection was relied on Akaike Information Criteria (AIC) and F-ratio. Results All candidate models achieved a good fitting performance with the two most complex models, the BG and the BNG, exhibiting the best fitting performance. However, both criteria for model selection indicated that the MG model performed better than any other model. In particular, using AIC Weights and F-ratio, the pixel-based analysis demonstrated that tumor areas better described by the simplest MG model in an average area of 53% and 33%, respectively. Non-Gaussian behavior was illustrated in an average area of 37% according to the F-ratio, and 7% using AIC Weights. However, the distributions of the pixels best fitted by each of the four models suggest that MG failed to perform better than any other model in all patients, and the overall tumor area. Conclusion No single diffusion model evaluated herein could accurately describe rectal tumours. These findings probably can be explained on the basis of increased tumour heterogeneity, where areas with high vascularity could be fitted better with bi-exponential models, and areas with necrosis would mostly follow mono

  14. Diffusion weighted imaging in patients with rectal cancer: Comparison between Gaussian and non-Gaussian models.

    PubMed

    Manikis, Georgios C; Marias, Kostas; Lambregts, Doenja M J; Nikiforaki, Katerina; van Heeswijk, Miriam M; Bakers, Frans C H; Beets-Tan, Regina G H; Papanikolaou, Nikolaos

    2017-01-01

    The purpose of this study was to compare the performance of four diffusion models, including mono and bi-exponential both Gaussian and non-Gaussian models, in diffusion weighted imaging of rectal cancer. Nineteen patients with rectal adenocarcinoma underwent MRI examination of the rectum before chemoradiation therapy including a 7 b-value diffusion sequence (0, 25, 50, 100, 500, 1000 and 2000 s/mm2) at a 1.5T scanner. Four different diffusion models including mono- and bi-exponential Gaussian (MG and BG) and non-Gaussian (MNG and BNG) were applied on whole tumor volumes of interest. Two different statistical criteria were recruited to assess their fitting performance, including the adjusted-R2 and Root Mean Square Error (RMSE). To decide which model better characterizes rectal cancer, model selection was relied on Akaike Information Criteria (AIC) and F-ratio. All candidate models achieved a good fitting performance with the two most complex models, the BG and the BNG, exhibiting the best fitting performance. However, both criteria for model selection indicated that the MG model performed better than any other model. In particular, using AIC Weights and F-ratio, the pixel-based analysis demonstrated that tumor areas better described by the simplest MG model in an average area of 53% and 33%, respectively. Non-Gaussian behavior was illustrated in an average area of 37% according to the F-ratio, and 7% using AIC Weights. However, the distributions of the pixels best fitted by each of the four models suggest that MG failed to perform better than any other model in all patients, and the overall tumor area. No single diffusion model evaluated herein could accurately describe rectal tumours. These findings probably can be explained on the basis of increased tumour heterogeneity, where areas with high vascularity could be fitted better with bi-exponential models, and areas with necrosis would mostly follow mono-exponential behavior.

  15. s -wave scattering length of a Gaussian potential

    NASA Astrophysics Data System (ADS)

    Jeszenszki, Peter; Cherny, Alexander Yu.; Brand, Joachim

    2018-04-01

    We provide accurate expressions for the s -wave scattering length for a Gaussian potential well in one, two, and three spatial dimensions. The Gaussian potential is widely used as a pseudopotential in the theoretical description of ultracold-atomic gases, where the s -wave scattering length is a physically relevant parameter. We first describe a numerical procedure to compute the value of the s -wave scattering length from the parameters of the Gaussian, but find that its accuracy is limited in the vicinity of singularities that result from the formation of new bound states. We then derive simple analytical expressions that capture the correct asymptotic behavior of the s -wave scattering length near the bound states. Expressions that are increasingly accurate in wide parameter regimes are found by a hierarchy of approximations that capture an increasing number of bound states. The small number of numerical coefficients that enter these expressions is determined from accurate numerical calculations. The approximate formulas combine the advantages of the numerical and approximate expressions, yielding an accurate and simple description from the weakly to the strongly interacting limit.

  16. Skew-t fits to mortality data--can a Gaussian-related distribution replace the Gompertz-Makeham as the basis for mortality studies?

    PubMed

    Clark, Jeremy S C; Kaczmarczyk, Mariusz; Mongiało, Zbigniew; Ignaczak, Paweł; Czajkowski, Andrzej A; Klęsk, Przemysław; Ciechanowicz, Andrzej

    2013-08-01

    Gompertz-related distributions have dominated mortality studies for 187 years. However, nonrelated distributions also fit well to mortality data. These compete with the Gompertz and Gompertz-Makeham data when applied to data with varying extents of truncation, with no consensus as to preference. In contrast, Gaussian-related distributions are rarely applied, despite the fact that Lexis in 1879 suggested that the normal distribution itself fits well to the right of the mode. Study aims were therefore to compare skew-t fits to Human Mortality Database data, with Gompertz-nested distributions, by implementing maximum likelihood estimation functions (mle2, R package bbmle; coding given). Results showed skew-t fits obtained lower Bayesian information criterion values than Gompertz-nested distributions, applied to low-mortality country data, including 1711 and 1810 cohorts. As Gaussian-related distributions have now been found to have almost universal application to error theory, one conclusion could be that a Gaussian-related distribution might replace Gompertz-related distributions as the basis for mortality studies.

  17. Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters

    NASA Astrophysics Data System (ADS)

    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.

  18. Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters.

    PubMed

    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.

  19. Gaussian process regression for tool wear prediction

    NASA Astrophysics Data System (ADS)

    Kong, Dongdong; Chen, Yongjie; Li, Ning

    2018-05-01

    To realize and accelerate the pace of intelligent manufacturing, this paper presents a novel tool wear assessment technique based on the integrated radial basis function based kernel principal component analysis (KPCA_IRBF) and Gaussian process regression (GPR) for real-timely and accurately monitoring the in-process tool wear parameters (flank wear width). The KPCA_IRBF is a kind of new nonlinear dimension-increment technique and firstly proposed for feature fusion. The tool wear predictive value and the corresponding confidence interval are both provided by utilizing the GPR model. Besides, GPR performs better than artificial neural networks (ANN) and support vector machines (SVM) in prediction accuracy since the Gaussian noises can be modeled quantitatively in the GPR model. However, the existence of noises will affect the stability of the confidence interval seriously. In this work, the proposed KPCA_IRBF technique helps to remove the noises and weaken its negative effects so as to make the confidence interval compressed greatly and more smoothed, which is conducive for monitoring the tool wear accurately. Moreover, the selection of kernel parameter in KPCA_IRBF can be easily carried out in a much larger selectable region in comparison with the conventional KPCA_RBF technique, which helps to improve the efficiency of model construction. Ten sets of cutting tests are conducted to validate the effectiveness of the presented tool wear assessment technique. The experimental results show that the in-process flank wear width of tool inserts can be monitored accurately by utilizing the presented tool wear assessment technique which is robust under a variety of cutting conditions. This study lays the foundation for tool wear monitoring in real industrial settings.

  20. Accurate expansion of cylindrical paraxial waves for its straightforward implementation in electromagnetic scattering

    NASA Astrophysics Data System (ADS)

    Naserpour, Mahin; Zapata-Rodríguez, Carlos J.

    2018-01-01

    The evaluation of vector wave fields can be accurately performed by means of diffraction integrals, differential equations and also series expansions. In this paper, a Bessel series expansion which basis relies on the exact solution of the Helmholtz equation in cylindrical coordinates is theoretically developed for the straightforward yet accurate description of low-numerical-aperture focal waves. The validity of this approach is confirmed by explicit application to Gaussian beams and apertured focused fields in the paraxial regime. Finally we discuss how our procedure can be favorably implemented in scattering problems.

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

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

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

    2016-08-28

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

  2. Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-ζ Quality: (aug-)RPF-4Z. III. The f-Block Elements.

    PubMed

    Teodoro, Tiago Quevedo; Visscher, Lucas; da Silva, Albérico Borges Ferreira; Haiduke, Roberto Luiz Andrade

    2017-03-14

    The f-block elements are addressed in this third part of a series of prolapse-free basis sets of quadruple-ζ quality (RPF-4Z). Relativistic adapted Gaussian basis sets (RAGBSs) are used as primitive sets of functions while correlating/polarization (C/P) functions are chosen by analyzing energy lowerings upon basis set increments in Dirac-Coulomb multireference configuration interaction calculations with single and double excitations of the valence spinors. These function exponents are obtained by applying the RAGBS parameters in a polynomial expression. Moreover, through the choice of C/P characteristic exponents from functions of lower angular momentum spaces, a reduction in the computational demand is attained in relativistic calculations based on the kinetic balance condition. The present study thus complements the RPF-4Z sets for the whole periodic table (Z ≤ 118). The sets are available as Supporting Information and can also be found at http://basis-sets.iqsc.usp.br .

  3. General contraction of Gaussian basis sets. II - Atomic natural orbitals and the calculation of atomic and molecular properties

    NASA Technical Reports Server (NTRS)

    Almlof, Jan; Taylor, Peter R.

    1990-01-01

    A recently proposed scheme for using natural orbitals from atomic configuration interaction wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outermost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital sets.

  4. Comparing fixed and variable-width Gaussian networks.

    PubMed

    Kůrková, Věra; Kainen, Paul C

    2014-09-01

    The role of width of Gaussians in two types of computational models is investigated: Gaussian radial-basis-functions (RBFs) where both widths and centers vary and Gaussian kernel networks which have fixed widths but varying centers. The effect of width on functional equivalence, universal approximation property, and form of norms in reproducing kernel Hilbert spaces (RKHS) is explored. It is proven that if two Gaussian RBF networks have the same input-output functions, then they must have the same numbers of units with the same centers and widths. Further, it is shown that while sets of input-output functions of Gaussian kernel networks with two different widths are disjoint, each such set is large enough to be a universal approximator. Embedding of RKHSs induced by "flatter" Gaussians into RKHSs induced by "sharper" Gaussians is described and growth of the ratios of norms on these spaces with increasing input dimension is estimated. Finally, large sets of argminima of error functionals in sets of input-output functions of Gaussian RBFs are described. Copyright © 2014 Elsevier Ltd. All rights reserved.

  5. The effect of noise and lipid signals on determination of Gaussian and non-Gaussian diffusion parameters in skeletal muscle.

    PubMed

    Cameron, Donnie; Bouhrara, Mustapha; Reiter, David A; Fishbein, Kenneth W; Choi, Seongjin; Bergeron, Christopher M; Ferrucci, Luigi; Spencer, Richard G

    2017-07-01

    This work characterizes the effect of lipid and noise signals on muscle diffusion parameter estimation in several conventional and non-Gaussian models, the ultimate objectives being to characterize popular fat suppression approaches for human muscle diffusion studies, to provide simulations to inform experimental work and to report normative non-Gaussian parameter values. The models investigated in this work were the Gaussian monoexponential and intravoxel incoherent motion (IVIM) models, and the non-Gaussian kurtosis and stretched exponential models. These were evaluated via simulations, and in vitro and in vivo experiments. Simulations were performed using literature input values, modeling fat contamination as an additive baseline to data, whereas phantom studies used a phantom containing aliphatic and olefinic fats and muscle-like gel. Human imaging was performed in the hamstring muscles of 10 volunteers. Diffusion-weighted imaging was applied with spectral attenuated inversion recovery (SPAIR), slice-select gradient reversal and water-specific excitation fat suppression, alone and in combination. Measurement bias (accuracy) and dispersion (precision) were evaluated, together with intra- and inter-scan repeatability. Simulations indicated that noise in magnitude images resulted in <6% bias in diffusion coefficients and non-Gaussian parameters (α, K), whereas baseline fitting minimized fat bias for all models, except IVIM. In vivo, popular SPAIR fat suppression proved inadequate for accurate parameter estimation, producing non-physiological parameter estimates without baseline fitting and large biases when it was used. Combining all three fat suppression techniques and fitting data with a baseline offset gave the best results of all the methods studied for both Gaussian diffusion and, overall, for non-Gaussian diffusion. It produced consistent parameter estimates for all models, except IVIM, and highlighted non-Gaussian behavior perpendicular to muscle fibers (

  6. Statistical Orbit Determination using the Particle Filter for Incorporating Non-Gaussian Uncertainties

    NASA Technical Reports Server (NTRS)

    Mashiku, Alinda; Garrison, James L.; Carpenter, J. Russell

    2012-01-01

    The tracking of space objects requires frequent and accurate monitoring for collision avoidance. As even collision events with very low probability are important, accurate prediction of collisions require the representation of the full probability density function (PDF) of the random orbit state. Through representing the full PDF of the orbit state for orbit maintenance and collision avoidance, we can take advantage of the statistical information present in the heavy tailed distributions, more accurately representing the orbit states with low probability. The classical methods of orbit determination (i.e. Kalman Filter and its derivatives) provide state estimates based on only the second moments of the state and measurement errors that are captured by assuming a Gaussian distribution. Although the measurement errors can be accurately assumed to have a Gaussian distribution, errors with a non-Gaussian distribution could arise during propagation between observations. Moreover, unmodeled dynamics in the orbit model could introduce non-Gaussian errors into the process noise. A Particle Filter (PF) is proposed as a nonlinear filtering technique that is capable of propagating and estimating a more complete representation of the state distribution as an accurate approximation of a full PDF. The PF uses Monte Carlo runs to generate particles that approximate the full PDF representation. The PF is applied in the estimation and propagation of a highly eccentric orbit and the results are compared to the Extended Kalman Filter and Splitting Gaussian Mixture algorithms to demonstrate its proficiency.

  7. Galaxy bias and primordial non-Gaussianity

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

    Assassi, Valentin; Baumann, Daniel; Schmidt, Fabian, E-mail: assassi@ias.edu, E-mail: D.D.Baumann@uva.nl, E-mail: fabians@MPA-Garching.MPG.DE

    2015-12-01

    We present a systematic study of galaxy biasing in the presence of primordial non-Gaussianity. For a large class of non-Gaussian initial conditions, we define a general bias expansion and prove that it is closed under renormalization, thereby showing that the basis of operators in the expansion is complete. We then study the effects of primordial non-Gaussianity on the statistics of galaxies. We show that the equivalence principle enforces a relation between the scale-dependent bias in the galaxy power spectrum and that in the dipolar part of the bispectrum. This provides a powerful consistency check to confirm the primordial origin ofmore » any observed scale-dependent bias. Finally, we also discuss the imprints of anisotropic non-Gaussianity as motivated by recent studies of higher-spin fields during inflation.« less

  8. A Gaussian Weave for Kinematical Loop Quantum Gravity

    NASA Astrophysics Data System (ADS)

    Corichi, A.; Reyes, J. M.; Ashtekar, A.

    Remarkable efforts in the study of the semiclassical regime of kinematical loop quantum gravity are currently underway. In this note, we construct a ``quasicoherent'' weave state using Gaussian factors. In a similar fashion to some other proposals, this state is peaked in both the connection and the spin network basis. However, the state constructed here has the novel feature that, in the spin network basis, the main contribution for this state is given by the fundamental representation, independently of the value of the parameter that regulates the Gaussian width.

  9. General contraction of Gaussian basis sets. Part 2: Atomic natural orbitals and the calculation of atomic and molecular properties

    NASA Technical Reports Server (NTRS)

    Almloef, Jan; Taylor, Peter R.

    1989-01-01

    A recently proposed scheme for using natural orbitals from atomic configuration interaction (CI) wave functions as a basis set for linear combination of atomic orbitals (LCAO) calculations is extended for the calculation of molecular properties. For one-electron properties like multipole moments, which are determined largely by the outermost regions of the molecular wave function, it is necessary to increase the flexibility of the basis in these regions. This is most easily done by uncontracting the outmost Gaussian primitives, and/or by adding diffuse primitives. A similar approach can be employed for the calculation of polarizabilities. Properties which are not dominated by the long-range part of the wave function, such as spectroscopic constants or electric field gradients at the nucleus, can generally be treated satisfactorily with the original atomic natural orbital (ANO) sets.

  10. Gaussian Radial Basis Function for Efficient Computation of Forest Indirect Illumination

    NASA Astrophysics Data System (ADS)

    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.

  11. The accuracy of the Gaussian-and-finite-element-Coulomb (GFC) method for the calculation of Coulomb integrals.

    PubMed

    Przybytek, Michal; Helgaker, Trygve

    2013-08-07

    We analyze the accuracy of the Coulomb energy calculated using the Gaussian-and-finite-element-Coulomb (GFC) method. In this approach, the electrostatic potential associated with the molecular electronic density is obtained by solving the Poisson equation and then used to calculate matrix elements of the Coulomb operator. The molecular electrostatic potential is expanded in a mixed Gaussian-finite-element (GF) basis set consisting of Gaussian functions of s symmetry centered on the nuclei (with exponents obtained from a full optimization of the atomic potentials generated by the atomic densities from symmetry-averaged restricted open-shell Hartree-Fock theory) and shape functions defined on uniform finite elements. The quality of the GF basis is controlled by means of a small set of parameters; for a given width of the finite elements d, the highest accuracy is achieved at smallest computational cost when tricubic (n = 3) elements are used in combination with two (γ(H) = 2) and eight (γ(1st) = 8) Gaussians on hydrogen and first-row atoms, respectively, with exponents greater than a given threshold (αmin (G)=0.5). The error in the calculated Coulomb energy divided by the number of atoms in the system depends on the system type but is independent of the system size or the orbital basis set, vanishing approximately like d(4) with decreasing d. If the boundary conditions for the Poisson equation are calculated in an approximate way, the GFC method may lose its variational character when the finite elements are too small; with larger elements, it is less sensitive to inaccuracies in the boundary values. As it is possible to obtain accurate boundary conditions in linear time, the overall scaling of the GFC method for large systems is governed by another computational step-namely, the generation of the three-center overlap integrals with three Gaussian orbitals. The most unfavorable (nearly quadratic) scaling is observed for compact, truly three-dimensional systems

  12. Periodic boundary conditions for QM/MM calculations: Ewald summation for extended Gaussian basis sets

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

    Holden, Zachary C.; Richard, Ryan M.; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu

    2013-12-28

    An implementation of Ewald summation for use in mixed quantum mechanics/molecular mechanics (QM/MM) calculations is presented, which builds upon previous work by others that was limited to semi-empirical electronic structure for the QM region. Unlike previous work, our implementation describes the wave function's periodic images using “ChElPG” atomic charges, which are determined by fitting to the QM electrostatic potential evaluated on a real-space grid. This implementation is stable even for large Gaussian basis sets with diffuse exponents, and is thus appropriate when the QM region is described by a correlated wave function. Derivatives of the ChElPG charges with respect tomore » the QM density matrix are a potentially serious bottleneck in this approach, so we introduce a ChElPG algorithm based on atom-centered Lebedev grids. The ChElPG charges thus obtained exhibit good rotational invariance even for sparse grids, enabling significant cost savings. Detailed analysis of the optimal choice of user-selected Ewald parameters, as well as timing breakdowns, is presented.« less

  13. Lower bounds to energies for cusped-gaussian wavefunctions. [hydrogen atom ground state

    NASA Technical Reports Server (NTRS)

    Eaves, J. O.; Walsh, B. C.; Steiner, E.

    1974-01-01

    Calculations for the ground states of H, He, and Be, conducted by Steiner and Sykes (1972), show that the inclusion of a very small number of cusp functions can lead to a substantial enhancement of the quality of the Gaussian basis used in molecular wavefunction computations. The properties of the cusped-Gaussian basis are investigated by a calculation of lower bounds concerning the ground state energy of the hydrogen atom.

  14. Feasibility study on the least square method for fitting non-Gaussian noise data

    NASA Astrophysics Data System (ADS)

    Xu, Wei; Chen, Wen; Liang, Yingjie

    2018-02-01

    This study is to investigate the feasibility of least square method in fitting non-Gaussian noise data. We add different levels of the two typical non-Gaussian noises, Lévy and stretched Gaussian noises, to exact value of the selected functions including linear equations, polynomial and exponential equations, and the maximum absolute and the mean square errors are calculated for the different cases. Lévy and stretched Gaussian distributions have many applications in fractional and fractal calculus. It is observed that the non-Gaussian noises are less accurately fitted than the Gaussian noise, but the stretched Gaussian cases appear to perform better than the Lévy noise cases. It is stressed that the least-squares method is inapplicable to the non-Gaussian noise cases when the noise level is larger than 5%.

  15. Apertured averaged scintillation of fully and partially coherent Gaussian, annular Gaussian, flat toped and dark hollow beams

    NASA Astrophysics Data System (ADS)

    Eyyuboğlu, Halil T.

    2015-03-01

    Apertured averaged scintillation requires the evaluation of rather complicated irradiance covariance function. Here we develop a much simpler numerical method based on our earlier introduced semi-analytic approach. Using this method, we calculate aperture averaged scintillation of fully and partially coherent Gaussian, annular Gaussian flat topped and dark hollow beams. For comparison, the principles of equal source beam power and normalizing the aperture averaged scintillation with respect to received power are applied. Our results indicate that for fully coherent beams, upon adjusting the aperture sizes to capture 10 and 20% of the equal source power, Gaussian beam needs the largest aperture opening, yielding the lowest aperture average scintillation, whilst the opposite occurs for annular Gaussian and dark hollow beams. When assessed on the basis of received power normalized aperture averaged scintillation, fixed propagation distance and aperture size, annular Gaussian and dark hollow beams seem to have the lowest scintillation. Just like the case of point-like scintillation, partially coherent beams will offer less aperture averaged scintillation in comparison to fully coherent beams. But this performance improvement relies on larger aperture openings. Upon normalizing the aperture averaged scintillation with respect to received power, fully coherent beams become more advantageous than partially coherent ones.

  16. Basis-neutral Hilbert-space analyzers

    PubMed Central

    Martin, Lane; Mardani, Davood; Kondakci, H. Esat; Larson, Walker D.; Shabahang, Soroush; Jahromi, Ali K.; Malhotra, Tanya; Vamivakas, A. Nick; Atia, George K.; Abouraddy, Ayman F.

    2017-01-01

    Interferometry is one of the central organizing principles of optics. Key to interferometry is the concept of optical delay, which facilitates spectral analysis in terms of time-harmonics. In contrast, when analyzing a beam in a Hilbert space spanned by spatial modes – a critical task for spatial-mode multiplexing and quantum communication – basis-specific principles are invoked that are altogether distinct from that of ‘delay’. Here, we extend the traditional concept of temporal delay to the spatial domain, thereby enabling the analysis of a beam in an arbitrary spatial-mode basis – exemplified using Hermite-Gaussian and radial Laguerre-Gaussian modes. Such generalized delays correspond to optical implementations of fractional transforms; for example, the fractional Hankel transform is the generalized delay associated with the space of Laguerre-Gaussian modes, and an interferometer incorporating such a ‘delay’ obtains modal weights in the associated Hilbert space. By implementing an inherently stable, reconfigurable spatial-light-modulator-based polarization-interferometer, we have constructed a ‘Hilbert-space analyzer’ capable of projecting optical beams onto any modal basis. PMID:28344331

  17. GAUSSIAN 76: An ab initio Molecular Orbital Program

    DOE R&D Accomplishments Database

    Binkley, J. S.; Whiteside, R.; Hariharan, P. C.; Seeger, R.; Hehre, W. J.; Lathan, W. A.; Newton, M. D.; Ditchfield, R.; Pople, J. A.

    1978-01-01

    Gaussian 76 is a general-purpose computer program for ab initio Hartree-Fock molecular orbital calculations. It can handle basis sets involving s, p and d-type Gaussian functions. Certain standard sets (STO-3G, 4-31G, 6-31G*, etc.) are stored internally for easy use. Closed shell (RHF) or unrestricted open shell (UHF) wave functions can be obtained. Facilities are provided for geometry optimization to potential minima and for limited potential surface scans.

  18. Gaussian beam and physical optics iteration technique for wideband beam waveguide feed design

    NASA Technical Reports Server (NTRS)

    Veruttipong, W.; Chen, J. C.; Bathker, D. A.

    1991-01-01

    The Gaussian beam technique has become increasingly popular for wideband beam waveguide (BWG) design. However, it is observed that the Gaussian solution is less accurate for smaller mirrors (approximately less than 30 lambda in diameter). Therefore, a high-performance wideband BWG design cannot be achieved by using the Gaussian beam technique alone. This article demonstrates a new design approach by iterating Gaussian beam and BWG parameters simultaneously at various frequencies to obtain a wideband BWG. The result is further improved by comparing it with physical optics results and repeating the iteration.

  19. A wavelet-based Gaussian method for energy dispersive X-ray fluorescence spectrum.

    PubMed

    Liu, Pan; Deng, Xiaoyan; Tang, Xin; Shen, Shijian

    2017-05-01

    This paper presents a wavelet-based Gaussian method (WGM) for the peak intensity estimation of energy dispersive X-ray fluorescence (EDXRF). The relationship between the parameters of Gaussian curve and the wavelet coefficients of Gaussian peak point is firstly established based on the Mexican hat wavelet. It is found that the Gaussian parameters can be accurately calculated by any two wavelet coefficients at the peak point which has to be known. This fact leads to a local Gaussian estimation method for spectral peaks, which estimates the Gaussian parameters based on the detail wavelet coefficients of Gaussian peak point. The proposed method is tested via simulated and measured spectra from an energy X-ray spectrometer, and compared with some existing methods. The results prove that the proposed method can directly estimate the peak intensity of EDXRF free from the background information, and also effectively distinguish overlap peaks in EDXRF spectrum.

  20. Efficient statistically accurate algorithms for the Fokker-Planck equation in large dimensions

    NASA Astrophysics Data System (ADS)

    Chen, Nan; Majda, Andrew J.

    2018-02-01

    Solving the Fokker-Planck equation for high-dimensional complex turbulent dynamical systems is an important and practical issue. However, most traditional methods suffer from the curse of dimensionality and have difficulties in capturing the fat tailed highly intermittent probability density functions (PDFs) of complex systems in turbulence, neuroscience and excitable media. In this article, efficient statistically accurate algorithms are developed for solving both the transient and the equilibrium solutions of Fokker-Planck equations associated with high-dimensional nonlinear turbulent dynamical systems with conditional Gaussian structures. The algorithms involve a hybrid strategy that requires only a small number of ensembles. Here, a conditional Gaussian mixture in a high-dimensional subspace via an extremely efficient parametric method is combined with a judicious non-parametric Gaussian kernel density estimation in the remaining low-dimensional subspace. Particularly, the parametric method provides closed analytical formulae for determining the conditional Gaussian distributions in the high-dimensional subspace and is therefore computationally efficient and accurate. The full non-Gaussian PDF of the system is then given by a Gaussian mixture. Different from traditional particle methods, each conditional Gaussian distribution here covers a significant portion of the high-dimensional PDF. Therefore a small number of ensembles is sufficient to recover the full PDF, which overcomes the curse of dimensionality. Notably, the mixture distribution has significant skill in capturing the transient behavior with fat tails of the high-dimensional non-Gaussian PDFs, and this facilitates the algorithms in accurately describing the intermittency and extreme events in complex turbulent systems. It is shown in a stringent set of test problems that the method only requires an order of O (100) ensembles to successfully recover the highly non-Gaussian transient PDFs in up to 6

  1. Efficient Statistically Accurate Algorithms for the Fokker-Planck Equation in Large Dimensions

    NASA Astrophysics Data System (ADS)

    Chen, N.; Majda, A.

    2017-12-01

    Solving the Fokker-Planck equation for high-dimensional complex turbulent dynamical systems is an important and practical issue. However, most traditional methods suffer from the curse of dimensionality and have difficulties in capturing the fat tailed highly intermittent probability density functions (PDFs) of complex systems in turbulence, neuroscience and excitable media. In this article, efficient statistically accurate algorithms are developed for solving both the transient and the equilibrium solutions of Fokker-Planck equations associated with high-dimensional nonlinear turbulent dynamical systems with conditional Gaussian structures. The algorithms involve a hybrid strategy that requires only a small number of ensembles. Here, a conditional Gaussian mixture in a high-dimensional subspace via an extremely efficient parametric method is combined with a judicious non-parametric Gaussian kernel density estimation in the remaining low-dimensional subspace. Particularly, the parametric method, which is based on an effective data assimilation framework, provides closed analytical formulae for determining the conditional Gaussian distributions in the high-dimensional subspace. Therefore, it is computationally efficient and accurate. The full non-Gaussian PDF of the system is then given by a Gaussian mixture. Different from the traditional particle methods, each conditional Gaussian distribution here covers a significant portion of the high-dimensional PDF. Therefore a small number of ensembles is sufficient to recover the full PDF, which overcomes the curse of dimensionality. Notably, the mixture distribution has a significant skill in capturing the transient behavior with fat tails of the high-dimensional non-Gaussian PDFs, and this facilitates the algorithms in accurately describing the intermittency and extreme events in complex turbulent systems. It is shown in a stringent set of test problems that the method only requires an order of O(100) ensembles to

  2. Axial acoustic radiation force on a sphere in Gaussian field

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

    Wu, Rongrong; Liu, Xiaozhou, E-mail: xzliu@nju.edu.cn; Gong, Xiufen

    2015-10-28

    Based on the finite series method, the acoustical radiation force resulting from a Gaussian beam incident on a spherical object is investigated analytically. When the position of the particles deviating from the center of the beam, the Gaussian beam is expanded as a spherical function at the center of the particles and the expanded coefficients of the Gaussian beam is calculated. The analytical expression of the acoustic radiation force on spherical particles deviating from the Gaussian beam center is deduced. The acoustic radiation force affected by the acoustic frequency and the offset distance from the Gaussian beam center is investigated.more » Results have been presented for Gaussian beams with different wavelengths and it has been shown that the interaction of a Gaussian beam with a sphere can result in attractive axial force under specific operational conditions. Results indicate the capability of manipulating and separating spherical spheres based on their mechanical and acoustical properties, the results provided here may provide a theoretical basis for development of single-beam acoustical tweezers.« less

  3. Gaussian mixture models as flux prediction method for central receivers

    NASA Astrophysics Data System (ADS)

    Grobler, Annemarie; Gauché, Paul; Smit, Willie

    2016-05-01

    Flux prediction methods are crucial to the design and operation of central receiver systems. Current methods such as the circular and elliptical (bivariate) Gaussian prediction methods are often used in field layout design and aiming strategies. For experimental or small central receiver systems, the flux profile of a single heliostat often deviates significantly from the circular and elliptical Gaussian models. Therefore a novel method of flux prediction was developed by incorporating the fitting of Gaussian mixture models onto flux profiles produced by flux measurement or ray tracing. A method was also developed to predict the Gaussian mixture model parameters of a single heliostat for a given time using image processing. Recording the predicted parameters in a database ensures that more accurate predictions are made in a shorter time frame.

  4. Quantum Dynamics with Short-Time Trajectories and Minimal Adaptive Basis Sets.

    PubMed

    Saller, Maximilian A C; Habershon, Scott

    2017-07-11

    Methods for solving the time-dependent Schrödinger equation via basis set expansion of the wave function can generally be categorized as having either static (time-independent) or dynamic (time-dependent) basis functions. We have recently introduced an alternative simulation approach which represents a middle road between these two extremes, employing dynamic (classical-like) trajectories to create a static basis set of Gaussian wavepackets in regions of phase-space relevant to future propagation of the wave function [J. Chem. Theory Comput., 11, 8 (2015)]. Here, we propose and test a modification of our methodology which aims to reduce the size of basis sets generated in our original scheme. In particular, we employ short-time classical trajectories to continuously generate new basis functions for short-time quantum propagation of the wave function; to avoid the continued growth of the basis set describing the time-dependent wave function, we employ Matching Pursuit to periodically minimize the number of basis functions required to accurately describe the wave function. Overall, this approach generates a basis set which is adapted to evolution of the wave function while also being as small as possible. In applications to challenging benchmark problems, namely a 4-dimensional model of photoexcited pyrazine and three different double-well tunnelling problems, we find that our new scheme enables accurate wave function propagation with basis sets which are around an order-of-magnitude smaller than our original trajectory-guided basis set methodology, highlighting the benefits of adaptive strategies for wave function propagation.

  5. Real-Space Density Functional Theory on Graphical Processing Units: Computational Approach and Comparison to Gaussian Basis Set Methods.

    PubMed

    Andrade, Xavier; Aspuru-Guzik, Alán

    2013-10-08

    We discuss the application of graphical processing units (GPUs) to accelerate real-space density functional theory (DFT) calculations. To make our implementation efficient, we have developed a scheme to expose the data parallelism available in the DFT approach; this is applied to the different procedures required for a real-space DFT calculation. We present results for current-generation GPUs from AMD and Nvidia, which show that our scheme, implemented in the free code Octopus, can reach a sustained performance of up to 90 GFlops for a single GPU, representing a significant speed-up when compared to the CPU version of the code. Moreover, for some systems, our implementation can outperform a GPU Gaussian basis set code, showing that the real-space approach is a competitive alternative for DFT simulations on GPUs.

  6. A Bayesian framework based on a Gaussian mixture model and radial-basis-function Fisher discriminant analysis (BayGmmKda V1.1) for spatial prediction of floods

    NASA Astrophysics Data System (ADS)

    Tien Bui, Dieu; Hoang, Nhat-Duc

    2017-09-01

    In this study, a probabilistic model, named as BayGmmKda, is proposed for flood susceptibility assessment in a study area in central Vietnam. The new model is a Bayesian framework constructed by a combination of a Gaussian mixture model (GMM), radial-basis-function Fisher discriminant analysis (RBFDA), and a geographic information system (GIS) database. In the Bayesian framework, GMM is used for modeling the data distribution of flood-influencing factors in the GIS database, whereas RBFDA is utilized to construct a latent variable that aims at enhancing the model performance. As a result, the posterior probabilistic output of the BayGmmKda model is used as flood susceptibility index. Experiment results showed that the proposed hybrid framework is superior to other benchmark models, including the adaptive neuro-fuzzy inference system and the support vector machine. To facilitate the model implementation, a software program of BayGmmKda has been developed in MATLAB. The BayGmmKda program can accurately establish a flood susceptibility map for the study region. Accordingly, local authorities can overlay this susceptibility map onto various land-use maps for the purpose of land-use planning or management.

  7. Leading non-Gaussian corrections for diffusion orientation distribution function.

    PubMed

    Jensen, Jens H; Helpern, Joseph A; Tabesh, Ali

    2014-02-01

    An analytical representation of the leading non-Gaussian corrections for a class of diffusion orientation distribution functions (dODFs) is presented. This formula is constructed from the diffusion and diffusional kurtosis tensors, both of which may be estimated with diffusional kurtosis imaging (DKI). By incorporating model-independent non-Gaussian diffusion effects, it improves on the Gaussian approximation used in diffusion tensor imaging (DTI). This analytical representation therefore provides a natural foundation for DKI-based white matter fiber tractography, which has potential advantages over conventional DTI-based fiber tractography in generating more accurate predictions for the orientations of fiber bundles and in being able to directly resolve intra-voxel fiber crossings. The formula is illustrated with numerical simulations for a two-compartment model of fiber crossings and for human brain data. These results indicate that the inclusion of the leading non-Gaussian corrections can significantly affect fiber tractography in white matter regions, such as the centrum semiovale, where fiber crossings are common. 2013 John Wiley & Sons, Ltd.

  8. Leading Non-Gaussian Corrections for Diffusion Orientation Distribution Function

    PubMed Central

    Jensen, Jens H.; Helpern, Joseph A.; Tabesh, Ali

    2014-01-01

    An analytical representation of the leading non-Gaussian corrections for a class of diffusion orientation distribution functions (dODFs) is presented. This formula is constructed out of the diffusion and diffusional kurtosis tensors, both of which may be estimated with diffusional kurtosis imaging (DKI). By incorporating model-independent non-Gaussian diffusion effects, it improves upon the Gaussian approximation used in diffusion tensor imaging (DTI). This analytical representation therefore provides a natural foundation for DKI-based white matter fiber tractography, which has potential advantages over conventional DTI-based fiber tractography in generating more accurate predictions for the orientations of fiber bundles and in being able to directly resolve intra-voxel fiber crossings. The formula is illustrated with numerical simulations for a two-compartment model of fiber crossings and for human brain data. These results indicate that the inclusion of the leading non-Gaussian corrections can significantly affect fiber tractography in white matter regions, such as the centrum semiovale, where fiber crossings are common. PMID:24738143

  9. Non-Gaussian Multi-resolution Modeling of Magnetosphere-Ionosphere Coupling Processes

    NASA Astrophysics Data System (ADS)

    Fan, M.; Paul, D.; Lee, T. C. M.; Matsuo, T.

    2016-12-01

    The most dynamic coupling between the magnetosphere and ionosphere occurs in the Earth's polar atmosphere. Our objective is to model scale-dependent stochastic characteristics of high-latitude ionospheric electric fields that originate from solar wind magnetosphere-ionosphere interactions. The Earth's high-latitude ionospheric electric field exhibits considerable variability, with increasing non-Gaussian characteristics at decreasing spatio-temporal scales. Accurately representing the underlying stochastic physical process through random field modeling is crucial not only for scientific understanding of the energy, momentum and mass exchanges between the Earth's magnetosphere and ionosphere, but also for modern technological systems including telecommunication, navigation, positioning and satellite tracking. While a lot of efforts have been made to characterize the large-scale variability of the electric field in the context of Gaussian processes, no attempt has been made so far to model the small-scale non-Gaussian stochastic process observed in the high-latitude ionosphere. We construct a novel random field model using spherical needlets as building blocks. The double localization of spherical needlets in both spatial and frequency domains enables the model to capture the non-Gaussian and multi-resolutional characteristics of the small-scale variability. The estimation procedure is computationally feasible due to the utilization of an adaptive Gibbs sampler. We apply the proposed methodology to the computational simulation output from the Lyon-Fedder-Mobarry (LFM) global magnetohydrodynamics (MHD) magnetosphere model. Our non-Gaussian multi-resolution model results in characterizing significantly more energy associated with the small-scale ionospheric electric field variability in comparison to Gaussian models. By accurately representing unaccounted-for additional energy and momentum sources to the Earth's upper atmosphere, our novel random field modeling

  10. Matrix elements of explicitly correlated Gaussian basis functions with arbitrary angular momentum

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

    Joyce, Tennesse; Varga, Kálmán

    2016-05-14

    A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with arbitrary angular momentum is presented. The calculations are checked on several excited states of three and four electron systems. The presented formalism can be used as unified framework for high accuracy calculations of properties of small atoms and molecules.

  11. Distilling Gaussian states with Gaussian operations is impossible.

    PubMed

    Eisert, J; Scheel, S; Plenio, M B

    2002-09-23

    We show that no distillation protocol for Gaussian quantum states exists that relies on (i) arbitrary local unitary operations that preserve the Gaussian character of the state and (ii) homodyne detection together with classical communication and postprocessing by means of local Gaussian unitary operations on two symmetric identically prepared copies. This is in contrast to the finite-dimensional case, where entanglement can be distilled in an iterative protocol using two copies at a time. The ramifications for the distribution of Gaussian states over large distances will be outlined. We also comment on the generality of the approach and sketch the most general form of a Gaussian local operation with classical communication in a bipartite setting.

  12. An adaptive Hinfinity controller design for bank-to-turn missiles using ridge Gaussian neural networks.

    PubMed

    Lin, Chuan-Kai; Wang, Sheng-De

    2004-11-01

    A new autopilot design for bank-to-turn (BTT) missiles is presented. In the design of autopilot, a ridge Gaussian neural network with local learning capability and fewer tuning parameters than Gaussian neural networks is proposed to model the controlled nonlinear systems. We prove that the proposed ridge Gaussian neural network, which can be a universal approximator, equals the expansions of rotated and scaled Gaussian functions. Although ridge Gaussian neural networks can approximate the nonlinear and complex systems accurately, the small approximation errors may affect the tracking performance significantly. Therefore, by employing the Hinfinity control theory, it is easy to attenuate the effects of the approximation errors of the ridge Gaussian neural networks to a prescribed level. Computer simulation results confirm the effectiveness of the proposed ridge Gaussian neural networks-based autopilot with Hinfinity stabilization.

  13. Normal form decomposition for Gaussian-to-Gaussian superoperators

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

    De Palma, Giacomo; INFN, Pisa; Mari, Andrea

    2015-05-15

    In this paper, we explore the set of linear maps sending the set of quantum Gaussian states into itself. These maps are in general not positive, a feature which can be exploited as a test to check whether a given quantum state belongs to the convex hull of Gaussian states (if one of the considered maps sends it into a non-positive operator, the above state is certified not to belong to the set). Generalizing a result known to be valid under the assumption of complete positivity, we provide a characterization of these Gaussian-to-Gaussian (not necessarily positive) superoperators in terms ofmore » their action on the characteristic function of the inputs. For the special case of one-mode mappings, we also show that any Gaussian-to-Gaussian superoperator can be expressed as a concatenation of a phase-space dilatation, followed by the action of a completely positive Gaussian channel, possibly composed with a transposition. While a similar decomposition is shown to fail in the multi-mode scenario, we prove that it still holds at least under the further hypothesis of homogeneous action on the covariance matrix.« less

  14. Effect of lensing non-Gaussianity on the CMB power spectra

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

    Lewis, Antony; Pratten, Geraint, E-mail: antony@cosmologist.info, E-mail: geraint.pratten@gmail.com

    2016-12-01

    Observed CMB anisotropies are lensed, and the lensed power spectra can be calculated accurately assuming the lensing deflections are Gaussian. However, the lensing deflections are actually slightly non-Gaussian due to both non-linear large-scale structure growth and post-Born corrections. We calculate the leading correction to the lensed CMB power spectra from the non-Gaussianity, which is determined by the lensing bispectrum. Assuming no primordial non-Gaussianity, the lowest-order result gives ∼ 0.3% corrections to the BB and EE polarization spectra on small-scales. However we show that the effect on EE is reduced by about a factor of two by higher-order Gaussian lensing smoothing,more » rendering the total effect safely negligible for the foreseeable future. We give a simple analytic model for the signal expected from skewness of the large-scale lensing field; the effect is similar to a net demagnification and hence a small change in acoustic scale (and therefore out of phase with the dominant lensing smoothing that predominantly affects the peaks and troughs of the power spectrum).« less

  15. Comparison of non-Gaussian and Gaussian diffusion models of diffusion weighted imaging of rectal cancer at 3.0 T MRI.

    PubMed

    Zhang, Guangwen; Wang, Shuangshuang; Wen, Didi; Zhang, Jing; Wei, Xiaocheng; Ma, Wanling; Zhao, Weiwei; Wang, Mian; Wu, Guosheng; Zhang, Jinsong

    2016-12-09

    Water molecular diffusion in vivo tissue is much more complicated. We aimed to compare non-Gaussian diffusion models of diffusion-weighted imaging (DWI) including intra-voxel incoherent motion (IVIM), stretched-exponential model (SEM) and Gaussian diffusion model at 3.0 T MRI in patients with rectal cancer, and to determine the optimal model for investigating the water diffusion properties and characterization of rectal carcinoma. Fifty-nine consecutive patients with pathologically confirmed rectal adenocarcinoma underwent DWI with 16 b-values at a 3.0 T MRI system. DWI signals were fitted to the mono-exponential and non-Gaussian diffusion models (IVIM-mono, IVIM-bi and SEM) on primary tumor and adjacent normal rectal tissue. Parameters of standard apparent diffusion coefficient (ADC), slow- and fast-ADC, fraction of fast ADC (f), α value and distributed diffusion coefficient (DDC) were generated and compared between the tumor and normal tissues. The SEM exhibited the best fitting results of actual DWI signal in rectal cancer and the normal rectal wall (R 2  = 0.998, 0.999 respectively). The DDC achieved relatively high area under the curve (AUC = 0.980) in differentiating tumor from normal rectal wall. Non-Gaussian diffusion models could assess tissue properties more accurately than the ADC derived Gaussian diffusion model. SEM may be used as a potential optimal model for characterization of rectal cancer.

  16. Gaussian vs non-Gaussian turbulence: impact on wind turbine loads

    NASA Astrophysics Data System (ADS)

    Berg, J.; Mann, J.; Natarajan, A.; Patton, E. G.

    2014-12-01

    In wind energy applications the turbulent velocity field of the Atmospheric Boundary Layer (ABL) is often characterised by Gaussian probability density functions. When estimating the dynamical loads on wind turbines this has been the rule more than anything else. From numerous studies in the laboratory, in Direct Numerical Simulations, and from in-situ measurements of the ABL we know, however, that turbulence is not purely Gaussian: the smallest and fastest scales often exhibit extreme behaviour characterised by strong non-Gaussian statistics. In this contribution we want to investigate whether these non-Gaussian effects are important when determining wind turbine loads, and hence of utmost importance to the design criteria and lifetime of a wind turbine. We devise a method based on Principal Orthogonal Decomposition where non-Gaussian velocity fields generated by high-resolution pseudo-spectral Large-Eddy Simulation (LES) of the ABL are transformed so that they maintain the exact same second-order statistics including variations of the statistics with height, but are otherwise Gaussian. In that way we can investigate in isolation the question whether it is important for wind turbine loads to include non-Gaussian properties of atmospheric turbulence. As an illustration the Figure show both a non-Gaussian velocity field (left) from our LES, and its transformed Gaussian Counterpart (right). Whereas the horizontal velocity components (top) look close to identical, the vertical components (bottom) are not: the non-Gaussian case is much more fluid-like (like in a sketch by Michelangelo). The question is then: Does the wind turbine see this? Using the load simulation software HAWC2 with both the non-Gaussian and newly constructed Gaussian fields, respectively, we show that the Fatigue loads and most of the Extreme loads are unaltered when using non-Gaussian velocity fields. The turbine thus acts like a low-pass filter which average out the non-Gaussian behaviour on time

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

    PubMed

    Brown, James; Carrington, Tucker

    2015-07-28

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

  18. A Gaussian quadrature method for total energy analysis in electronic state calculations

    NASA Astrophysics Data System (ADS)

    Fukushima, Kimichika

    This article reports studies by Fukushima and coworkers since 1980 concerning their highly accurate numerical integral method using Gaussian quadratures to evaluate the total energy in electronic state calculations. Gauss-Legendre and Gauss-Laguerre quadratures were used for integrals in the finite and infinite regions, respectively. Our previous article showed that, for diatomic molecules such as CO and FeO, elliptic coordinates efficiently achieved high numerical integral accuracy even with a numerical basis set including transition metal atomic orbitals. This article will generalize straightforward details for multiatomic systems with direct integrals in each decomposed elliptic coordinate determined from the nuclear positions of picked-up atom pairs. Sample calculations were performed for the molecules O3 and H2O. This article will also try to present, in another coordinate, a numerical integral by partially using the Becke's decomposition published in 1988, but without the Becke's fuzzy cell generated by the polynomials of internuclear distance between the pair atoms. Instead, simple nuclear weights comprising exponential functions around nuclei are used. The one-center integral is performed with a Gaussian quadrature pack in a spherical coordinate, included in the author's original program in around 1980. As for this decomposition into one-center integrals, sample calculations are carried out for Li2.

  19. Triangular Numbers, Gaussian Integers, and KenKen

    ERIC Educational Resources Information Center

    Watkins, John J.

    2012-01-01

    Latin squares form the basis for the recreational puzzles sudoku and KenKen. In this article we show how useful several ideas from number theory are in solving a KenKen puzzle. For example, the simple notion of triangular number is surprisingly effective. We also introduce a variation of KenKen that uses the Gaussian integers in order to…

  20. Sparse decomposition of seismic data and migration using Gaussian beams with nonzero initial curvature

    NASA Astrophysics Data System (ADS)

    Liu, Peng; Wang, Yanfei

    2018-04-01

    We study problems associated with seismic data decomposition and migration imaging. We first represent the seismic data utilizing Gaussian beam basis functions, which have nonzero curvature, and then consider the sparse decomposition technique. The sparse decomposition problem is an l0-norm constrained minimization problem. In solving the l0-norm minimization, a polynomial Radon transform is performed to achieve sparsity, and a fast gradient descent method is used to calculate the waveform functions. The waveform functions can subsequently be used for sparse Gaussian beam migration. Compared with traditional sparse Gaussian beam methods, the seismic data can be properly reconstructed employing fewer Gaussian beams with nonzero initial curvature. The migration approach described in this paper is more efficient than the traditional sparse Gaussian beam migration.

  1. Effects of hydrogen-like impurity and electromagnetic field on quantum transition of an electron in a Gaussian potential with QD thickness

    NASA Astrophysics Data System (ADS)

    Xin, Wei; Zhao, Yu-Wei; Sudu; Eerdunchaolu

    2018-05-01

    Considering Hydrogen-like impurity and the thickness effect, the eigenvalues and eigenfunctions of the electronic ground and first exited states in a quantum dot (QD) are derived by using the Lee-Low-Pins-Pekar variational method with the harmonic and Gaussian potentials as the transverse and longitudinal confinement potentials, respectively. A two-level system is constructed on the basis of those two states, and the electronic quantum transition affected by an electromagnetic field is discussed in terms of the two-level system theory. The results indicate the Gaussian potential reflects the real confinement potential more accurately than the parabolic one; the influence of the thickness of the QD on the electronic transition probability is interesting and significant, and cannot be ignored; the electronic transition probability Γ is influenced significantly by some physical quantities, such as the strength of the electron-phonon coupling α, the electric-field strength F, the magnetic-field cyclotron frequency ωc , the barrier height V0 and confinement range L of the asymmetric Gaussian potential, suggesting the transport and optical properties of the QD can be manipulated further though those physical quantities.

  2. Fast and Accurate Multivariate Gaussian Modeling of Protein Families: Predicting Residue Contacts and Protein-Interaction Partners

    PubMed Central

    Feinauer, Christoph; Procaccini, Andrea; Zecchina, Riccardo; Weigt, Martin; Pagnani, Andrea

    2014-01-01

    In the course of evolution, proteins show a remarkable conservation of their three-dimensional structure and their biological function, leading to strong evolutionary constraints on the sequence variability between homologous proteins. Our method aims at extracting such constraints from rapidly accumulating sequence data, and thereby at inferring protein structure and function from sequence information alone. Recently, global statistical inference methods (e.g. direct-coupling analysis, sparse inverse covariance estimation) have achieved a breakthrough towards this aim, and their predictions have been successfully implemented into tertiary and quaternary protein structure prediction methods. However, due to the discrete nature of the underlying variable (amino-acids), exact inference requires exponential time in the protein length, and efficient approximations are needed for practical applicability. Here we propose a very efficient multivariate Gaussian modeling approach as a variant of direct-coupling analysis: the discrete amino-acid variables are replaced by continuous Gaussian random variables. The resulting statistical inference problem is efficiently and exactly solvable. We show that the quality of inference is comparable or superior to the one achieved by mean-field approximations to inference with discrete variables, as done by direct-coupling analysis. This is true for (i) the prediction of residue-residue contacts in proteins, and (ii) the identification of protein-protein interaction partner in bacterial signal transduction. An implementation of our multivariate Gaussian approach is available at the website http://areeweb.polito.it/ricerca/cmp/code. PMID:24663061

  3. Multi-variate joint PDF for non-Gaussianities: exact formulation and generic approximations

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

    Verde, Licia; Jimenez, Raul; Alvarez-Gaume, Luis

    2013-06-01

    We provide an exact expression for the multi-variate joint probability distribution function of non-Gaussian fields primordially arising from local transformations of a Gaussian field. This kind of non-Gaussianity is generated in many models of inflation. We apply our expression to the non-Gaussianity estimation from Cosmic Microwave Background maps and the halo mass function where we obtain analytical expressions. We also provide analytic approximations and their range of validity. For the Cosmic Microwave Background we give a fast way to compute the PDF which is valid up to more than 7σ for f{sub NL} values (both true and sampled) not ruledmore » out by current observations, which consists of expressing the PDF as a combination of bispectrum and trispectrum of the temperature maps. The resulting expression is valid for any kind of non-Gaussianity and is not limited to the local type. The above results may serve as the basis for a fully Bayesian analysis of the non-Gaussianity parameter.« less

  4. Some New Twists to Problems Involving the Gaussian Probability Integral

    NASA Technical Reports Server (NTRS)

    Simon, Marvin K.; Divsalar, Dariush

    1997-01-01

    Using an alternate form of the Gaussian probability integral discovered a number of years ago, it is shown that the solution to a number of previously considered communication problems can be simplified and in some cases made more accurate(i.e., exact rather than bounded).

  5. An algorithm for separation of mixed sparse and Gaussian sources

    PubMed Central

    Akkalkotkar, Ameya

    2017-01-01

    Independent component analysis (ICA) is a ubiquitous method for decomposing complex signal mixtures into a small set of statistically independent source signals. However, in cases in which the signal mixture consists of both nongaussian and Gaussian sources, the Gaussian sources will not be recoverable by ICA and will pollute estimates of the nongaussian sources. Therefore, it is desirable to have methods for mixed ICA/PCA which can separate mixtures of Gaussian and nongaussian sources. For mixtures of purely Gaussian sources, principal component analysis (PCA) can provide a basis for the Gaussian subspace. We introduce a new method for mixed ICA/PCA which we call Mixed ICA/PCA via Reproducibility Stability (MIPReSt). Our method uses a repeated estimations technique to rank sources by reproducibility, combined with decomposition of multiple subsamplings of the original data matrix. These multiple decompositions allow us to assess component stability as the size of the data matrix changes, which can be used to determinine the dimension of the nongaussian subspace in a mixture. We demonstrate the utility of MIPReSt for signal mixtures consisting of simulated sources and real-word (speech) sources, as well as mixture of unknown composition. PMID:28414814

  6. An algorithm for separation of mixed sparse and Gaussian sources.

    PubMed

    Akkalkotkar, Ameya; Brown, Kevin Scott

    2017-01-01

    Independent component analysis (ICA) is a ubiquitous method for decomposing complex signal mixtures into a small set of statistically independent source signals. However, in cases in which the signal mixture consists of both nongaussian and Gaussian sources, the Gaussian sources will not be recoverable by ICA and will pollute estimates of the nongaussian sources. Therefore, it is desirable to have methods for mixed ICA/PCA which can separate mixtures of Gaussian and nongaussian sources. For mixtures of purely Gaussian sources, principal component analysis (PCA) can provide a basis for the Gaussian subspace. We introduce a new method for mixed ICA/PCA which we call Mixed ICA/PCA via Reproducibility Stability (MIPReSt). Our method uses a repeated estimations technique to rank sources by reproducibility, combined with decomposition of multiple subsamplings of the original data matrix. These multiple decompositions allow us to assess component stability as the size of the data matrix changes, which can be used to determinine the dimension of the nongaussian subspace in a mixture. We demonstrate the utility of MIPReSt for signal mixtures consisting of simulated sources and real-word (speech) sources, as well as mixture of unknown composition.

  7. Correction Factor for Gaussian Deconvolution of Optically Thick Linewidths in Homogeneous Sources

    NASA Technical Reports Server (NTRS)

    Kastner, S. O.; Bhatia, A. K.

    1999-01-01

    Profiles of optically thick, non-Gaussian emission line profiles convoluted with Gaussian instrumental profiles are constructed, and are deconvoluted on the usual Gaussian basis to examine the departure from accuracy thereby caused in "measured" linewidths. It is found that "measured" linewidths underestimate the true linewidths of optically thick lines, by a factor which depends on the resolution factor r congruent to Doppler width/instrumental width and on the optical thickness tau(sub 0). An approximating expression is obtained for this factor, applicable in the range of at least 0 <= tau(sub 0) <= 10, which can provide estimates of the true linewidth and optical thickness.

  8. Gaussian entanglement revisited

    NASA Astrophysics Data System (ADS)

    Lami, Ludovico; Serafini, Alessio; Adesso, Gerardo

    2018-02-01

    We present a novel approach to the separability problem for Gaussian quantum states of bosonic continuous variable systems. We derive a simplified necessary and sufficient separability criterion for arbitrary Gaussian states of m versus n modes, which relies on convex optimisation over marginal covariance matrices on one subsystem only. We further revisit the currently known results stating the equivalence between separability and positive partial transposition (PPT) for specific classes of Gaussian states. Using techniques based on matrix analysis, such as Schur complements and matrix means, we then provide a unified treatment and compact proofs of all these results. In particular, we recover the PPT-separability equivalence for: (i) Gaussian states of 1 versus n modes; and (ii) isotropic Gaussian states. In passing, we also retrieve (iii) the recently established equivalence between separability of a Gaussian state and and its complete Gaussian extendability. Our techniques are then applied to progress beyond the state of the art. We prove that: (iv) Gaussian states that are invariant under partial transposition are necessarily separable; (v) the PPT criterion is necessary and sufficient for separability for Gaussian states of m versus n modes that are symmetric under the exchange of any two modes belonging to one of the parties; and (vi) Gaussian states which remain PPT under passive optical operations can not be entangled by them either. This is not a foregone conclusion per se (since Gaussian bound entangled states do exist) and settles a question that had been left unanswered in the existing literature on the subject. This paper, enjoyable by both the quantum optics and the matrix analysis communities, overall delivers technical and conceptual advances which are likely to be useful for further applications in continuous variable quantum information theory, beyond the separability problem.

  9. Quantum key distillation from Gaussian states by Gaussian operations.

    PubMed

    Navascués, M; Bae, J; Cirac, J I; Lewestein, M; Sanpera, A; Acín, A

    2005-01-14

    We study the secrecy properties of Gaussian states under Gaussian operations. Although such operations are useless for quantum distillation, we prove that it is possible to distill a secret key secure against any attack from sufficiently entangled Gaussian states with nonpositive partial transposition. Moreover, all such states allow for key distillation, when Eve is assumed to perform finite-size coherent attacks before the reconciliation process.

  10. A Gaussian framework for modeling effects of frequency-dependent attenuation, frequency-dependent scattering, and gating.

    PubMed

    Wear, Keith A

    2002-11-01

    For a wide range of applications in medical ultrasound, power spectra of received signals are approximately Gaussian. It has been established previously that an ultrasound beam with a Gaussian spectrum propagating through a medium with linear attenuation remains Gaussian. In this paper, Gaussian transformations are derived to model the effects of scattering (according to a power law, as is commonly applicable in soft tissues, especially over limited frequency ranges) and gating (with a Hamming window, a commonly used gate function). These approximations are shown to be quite accurate even for relatively broad band systems with fractional bandwidths approaching 100%. The theory is validated by experiments in phantoms consisting of glass particles suspended in agar.

  11. Gaussian measures of entanglement versus negativities: Ordering of two-mode Gaussian states

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

    Adesso, Gerardo; Illuminati, Fabrizio; INFN Sezione di Napoli-Gruppo Collegato di Salerno, Via S. Allende, 84081 Baronissi, SA

    2005-09-15

    We study the entanglement of general (pure or mixed) two-mode Gaussian states of continuous-variable systems by comparing the two available classes of computable measures of entanglement: entropy-inspired Gaussian convex-roof measures and positive partial transposition-inspired measures (negativity and logarithmic negativity). We first review the formalism of Gaussian measures of entanglement, adopting the framework introduced in M. M. Wolf et al., Phys. Rev. A 69, 052320 (2004), where the Gaussian entanglement of formation was defined. We compute explicitly Gaussian measures of entanglement for two important families of nonsymmetric two-mode Gaussian state: namely, the states of extremal (maximal and minimal) negativities at fixedmore » global and local purities, introduced in G. Adesso et al., Phys. Rev. Lett. 92, 087901 (2004). This analysis allows us to compare the different orderings induced on the set of entangled two-mode Gaussian states by the negativities and by the Gaussian measures of entanglement. We find that in a certain range of values of the global and local purities (characterizing the covariance matrix of the corresponding extremal states), states of minimum negativity can have more Gaussian entanglement of formation than states of maximum negativity. Consequently, Gaussian measures and negativities are definitely inequivalent measures of entanglement on nonsymmetric two-mode Gaussian states, even when restricted to a class of extremal states. On the other hand, the two families of entanglement measures are completely equivalent on symmetric states, for which the Gaussian entanglement of formation coincides with the true entanglement of formation. Finally, we show that the inequivalence between the two families of continuous-variable entanglement measures is somehow limited. Namely, we rigorously prove that, at fixed negativities, the Gaussian measures of entanglement are bounded from below. Moreover, we provide some strong evidence suggesting

  12. Application of multivariate Gaussian detection theory to known non-Gaussian probability density functions

    NASA Astrophysics Data System (ADS)

    Schwartz, Craig R.; Thelen, Brian J.; Kenton, Arthur C.

    1995-06-01

    A statistical parametric multispectral sensor performance model was developed by ERIM to support mine field detection studies, multispectral sensor design/performance trade-off studies, and target detection algorithm development. The model assumes target detection algorithms and their performance models which are based on data assumed to obey multivariate Gaussian probability distribution functions (PDFs). The applicability of these algorithms and performance models can be generalized to data having non-Gaussian PDFs through the use of transforms which convert non-Gaussian data to Gaussian (or near-Gaussian) data. An example of one such transform is the Box-Cox power law transform. In practice, such a transform can be applied to non-Gaussian data prior to the introduction of a detection algorithm that is formally based on the assumption of multivariate Gaussian data. This paper presents an extension of these techniques to the case where the joint multivariate probability density function of the non-Gaussian input data is known, and where the joint estimate of the multivariate Gaussian statistics, under the Box-Cox transform, is desired. The jointly estimated multivariate Gaussian statistics can then be used to predict the performance of a target detection algorithm which has an associated Gaussian performance model.

  13. Near grazing scattering from non-Gaussian ocean surfaces

    NASA Technical Reports Server (NTRS)

    Kim, Yunjin; Rodriguez, Ernesto

    1993-01-01

    We investigate the behavior of the scattered electromagnetic waves from non-Gaussian ocean surfaces at near grazing incidence. Even though the scattering mechanisms at moderate incidence angles are relatively well understood, the same is not true for near grazing rough surface scattering. However, from the experimental ocean scattering data, it has been observed that the backscattering cross section of a horizontally polarized wave can be as large as the vertical counterpart at near grazing incidence. In addition, these returns are highly intermittent in time. There have been some suggestions that these unexpected effects may come from shadowing or feature scattering. Using numerical scattering simulations, it can be shown that the horizontal backscattering cannot be larger than the vertical one for the Gaussian surfaces. Our main objective of this study is to gain a clear understanding of scattering mechanisms underlying the near grazing ocean scattering. In order to evaluate the backscattering cross section from ocean surfaces at near grazing incidence, both the hydrodynamic modeling of ocean surfaces and an accurate near grazing scattering theory are required. For the surface modeling, we generate Gaussian surfaces from the ocean surface power spectrum which is derived using several experimental data. Then, weakly nonlinear large scale ocean surfaces are generated following Longuet-Higgins. In addition, the modulation of small waves by large waves is included using the conservation of wave action. For surface scattering, we use MOM (Method of Moments) to calculate the backscattering from scattering patches with the two scale shadowing approximation. The differences between Gaussian and non-Gaussian surface scattering at near grazing incidence are presented.

  14. Accurate donor electron wave functions from a multivalley effective mass theory.

    NASA Astrophysics Data System (ADS)

    Pendo, Luke; Hu, Xuedong

    Multivalley effective mass (MEM) theories combine physical intuition with a marginal need for computational resources, but they tend to be insensitive to variations in the wavefunction. However, recent papers suggest full Bloch functions and suitable central cell donor potential corrections are essential to replicating qualitative and quantitative features of the wavefunction. In this talk, we consider a variational MEM method that can accurately predict both spectrum and wavefunction of isolated phosphorus donors. As per Gamble et. al, we employ a truncated series representation of the Bloch function with a tetrahedrally symmetric central cell correction. We use a dynamic dielectric constant, a feature commonly seen in tight-binding methods. Uniquely, we use a freely extensible basis of either all Slater- or all Gaussian-type functions. With a large basis able to capture the influence of higher energy eigenstates, this method is well positioned to consider the influence of external perturbations, such as electric field or applied strain, on the charge density. This work is supported by the US Army Research Office (W911NF1210609).

  15. Exploring super-Gaussianity toward robust information-theoretical time delay estimation.

    PubMed

    Petsatodis, Theodoros; Talantzis, Fotios; Boukis, Christos; Tan, Zheng-Hua; Prasad, Ramjee

    2013-03-01

    Time delay estimation (TDE) is a fundamental component of speaker localization and tracking algorithms. Most of the existing systems are based on the generalized cross-correlation method assuming gaussianity of the source. It has been shown that the distribution of speech, captured with far-field microphones, is highly varying, depending on the noise and reverberation conditions. Thus the performance of TDE is expected to fluctuate depending on the underlying assumption for the speech distribution, being also subject to multi-path reflections and competitive background noise. This paper investigates the effect upon TDE when modeling the source signal with different speech-based distributions. An information theoretical TDE method indirectly encapsulating higher order statistics (HOS) formed the basis of this work. The underlying assumption of Gaussian distributed source has been replaced by that of generalized Gaussian distribution that allows evaluating the problem under a larger set of speech-shaped distributions, ranging from Gaussian to Laplacian and Gamma. Closed forms of the univariate and multivariate entropy expressions of the generalized Gaussian distribution are derived to evaluate the TDE. The results indicate that TDE based on the specific criterion is independent of the underlying assumption for the distribution of the source, for the same covariance matrix.

  16. Generalized Ince Gaussian beams

    NASA Astrophysics Data System (ADS)

    Bandres, Miguel A.; Gutiérrez-Vega, Julio C.

    2006-08-01

    In this work we present a detailed analysis of the tree families of generalized Gaussian beams, which are the generalized Hermite, Laguerre, and Ince Gaussian beams. The generalized Gaussian beams are not the solution of a Hermitian operator at an arbitrary z plane. We derived the adjoint operator and the adjoint eigenfunctions. Each family of generalized Gaussian beams forms a complete biorthonormal set with their adjoint eigenfunctions, therefore, any paraxial field can be described as a superposition of a generalized family with the appropriate weighting and phase factors. Each family of generalized Gaussian beams includes the standard and elegant corresponding families as particular cases when the parameters of the generalized families are chosen properly. The generalized Hermite Gaussian and Laguerre Gaussian beams correspond to limiting cases of the generalized Ince Gaussian beams when the ellipticity parameter of the latter tends to infinity or to zero, respectively. The expansion formulas among the three generalized families and their Fourier transforms are also presented.

  17. Can a numerically stable subgrid-scale model for turbulent flow computation be ideally accurate?: a preliminary theoretical study for the Gaussian filtered Navier-Stokes equations.

    PubMed

    Ida, Masato; Taniguchi, Nobuyuki

    2003-09-01

    This paper introduces a candidate for the origin of the numerical instabilities in large eddy simulation repeatedly observed in academic and practical industrial flow computations. Without resorting to any subgrid-scale modeling, but based on a simple assumption regarding the streamwise component of flow velocity, it is shown theoretically that in a channel-flow computation, the application of the Gaussian filtering to the incompressible Navier-Stokes equations yields a numerically unstable term, a cross-derivative term, which is similar to one appearing in the Gaussian filtered Vlasov equation derived by Klimas [J. Comput. Phys. 68, 202 (1987)] and also to one derived recently by Kobayashi and Shimomura [Phys. Fluids 15, L29 (2003)] from the tensor-diffusivity subgrid-scale term in a dynamic mixed model. The present result predicts that not only the numerical methods and the subgrid-scale models employed but also only the applied filtering process can be a seed of this numerical instability. An investigation concerning the relationship between the turbulent energy scattering and the unstable term shows that the instability of the term does not necessarily represent the backscatter of kinetic energy which has been considered a possible origin of numerical instabilities in large eddy simulation. The present findings raise the question whether a numerically stable subgrid-scale model can be ideally accurate.

  18. Kinect Posture Reconstruction Based on a Local Mixture of Gaussian Process Models.

    PubMed

    Liu, Zhiguang; Zhou, Liuyang; Leung, Howard; Shum, Hubert P H

    2016-11-01

    Depth sensor based 3D human motion estimation hardware such as Kinect has made interactive applications more popular recently. However, it is still challenging to accurately recognize postures from a single depth camera due to the inherently noisy data derived from depth images and self-occluding action performed by the user. In this paper, we propose a new real-time probabilistic framework to enhance the accuracy of live captured postures that belong to one of the action classes in the database. We adopt the Gaussian Process model as a prior to leverage the position data obtained from Kinect and marker-based motion capture system. We also incorporate a temporal consistency term into the optimization framework to constrain the velocity variations between successive frames. To ensure that the reconstructed posture resembles the accurate parts of the observed posture, we embed a set of joint reliability measurements into the optimization framework. A major drawback of Gaussian Process is its cubic learning complexity when dealing with a large database due to the inverse of a covariance matrix. To solve the problem, we propose a new method based on a local mixture of Gaussian Processes, in which Gaussian Processes are defined in local regions of the state space. Due to the significantly decreased sample size in each local Gaussian Process, the learning time is greatly reduced. At the same time, the prediction speed is enhanced as the weighted mean prediction for a given sample is determined by the nearby local models only. Our system also allows incrementally updating a specific local Gaussian Process in real time, which enhances the likelihood of adapting to run-time postures that are different from those in the database. Experimental results demonstrate that our system can generate high quality postures even under severe self-occlusion situations, which is beneficial for real-time applications such as motion-based gaming and sport training.

  19. Design and implementation of an optical Gaussian noise generator

    NASA Astrophysics Data System (ADS)

    Za~O, Leonardo; Loss, Gustavo; Coelho, Rosângela

    2009-08-01

    A design of a fast and accurate optical Gaussian noise generator is proposed and demonstrated. The noise sample generation is based on the Box-Muller algorithm. The functions implementation was performed on a high-speed Altera Stratix EP1S25 field-programmable gate array (FPGA) development kit. It enabled the generation of 150 million 16-bit noise samples per second. The Gaussian noise generator required only 7.4% of the FPGA logic elements, 1.2% of the RAM memory, 0.04% of the ROM memory, and a laser source. The optical pulses were generated by a laser source externally modulated by the data bit samples using the frequency-shift keying technique. The accuracy of the noise samples was evaluated for different sequences size and confidence intervals. The noise sample pattern was validated by the Bhattacharyya distance (Bd) and the autocorrelation function. The results showed that the proposed design of the optical Gaussian noise generator is very promising to evaluate the performance of optical communications channels with very low bit-error-rate values.

  20. Gaussian statistics for palaeomagnetic vectors

    USGS Publications Warehouse

    Love, J.J.; Constable, C.G.

    2003-01-01

    With the aim of treating the statistics of palaeomagnetic directions and intensities jointly and consistently, we represent the mean and the variance of palaeomagnetic vectors, at a particular site and of a particular polarity, by a probability density function in a Cartesian three-space of orthogonal magnetic-field components consisting of a single (unimoda) non-zero mean, spherically-symmetrical (isotropic) Gaussian function. For palaeomagnetic data of mixed polarities, we consider a bimodal distribution consisting of a pair of such symmetrical Gaussian functions, with equal, but opposite, means and equal variances. For both the Gaussian and bi-Gaussian distributions, and in the spherical three-space of intensity, inclination, and declination, we obtain analytical expressions for the marginal density functions, the cumulative distributions, and the expected values and variances for each spherical coordinate (including the angle with respect to the axis of symmetry of the distributions). The mathematical expressions for the intensity and off-axis angle are closed-form and especially manageable, with the intensity distribution being Rayleigh-Rician. In the limit of small relative vectorial dispersion, the Gaussian (bi-Gaussian) directional distribution approaches a Fisher (Bingham) distribution and the intensity distribution approaches a normal distribution. In the opposite limit of large relative vectorial dispersion, the directional distributions approach a spherically-uniform distribution and the intensity distribution approaches a Maxwell distribution. We quantify biases in estimating the properties of the vector field resulting from the use of simple arithmetic averages, such as estimates of the intensity or the inclination of the mean vector, or the variances of these quantities. With the statistical framework developed here and using the maximum-likelihood method, which gives unbiased estimates in the limit of large data numbers, we demonstrate how to

  1. Gaussian statistics for palaeomagnetic vectors

    NASA Astrophysics Data System (ADS)

    Love, J. J.; Constable, C. G.

    2003-03-01

    With the aim of treating the statistics of palaeomagnetic directions and intensities jointly and consistently, we represent the mean and the variance of palaeomagnetic vectors, at a particular site and of a particular polarity, by a probability density function in a Cartesian three-space of orthogonal magnetic-field components consisting of a single (unimodal) non-zero mean, spherically-symmetrical (isotropic) Gaussian function. For palaeomagnetic data of mixed polarities, we consider a bimodal distribution consisting of a pair of such symmetrical Gaussian functions, with equal, but opposite, means and equal variances. For both the Gaussian and bi-Gaussian distributions, and in the spherical three-space of intensity, inclination, and declination, we obtain analytical expressions for the marginal density functions, the cumulative distributions, and the expected values and variances for each spherical coordinate (including the angle with respect to the axis of symmetry of the distributions). The mathematical expressions for the intensity and off-axis angle are closed-form and especially manageable, with the intensity distribution being Rayleigh-Rician. In the limit of small relative vectorial dispersion, the Gaussian (bi-Gaussian) directional distribution approaches a Fisher (Bingham) distribution and the intensity distribution approaches a normal distribution. In the opposite limit of large relative vectorial dispersion, the directional distributions approach a spherically-uniform distribution and the intensity distribution approaches a Maxwell distribution. We quantify biases in estimating the properties of the vector field resulting from the use of simple arithmetic averages, such as estimates of the intensity or the inclination of the mean vector, or the variances of these quantities. With the statistical framework developed here and using the maximum-likelihood method, which gives unbiased estimates in the limit of large data numbers, we demonstrate how to

  2. Resource theory of non-Gaussian operations

    NASA Astrophysics Data System (ADS)

    Zhuang, Quntao; Shor, Peter W.; Shapiro, Jeffrey H.

    2018-05-01

    Non-Gaussian states and operations are crucial for various continuous-variable quantum information processing tasks. To quantitatively understand non-Gaussianity beyond states, we establish a resource theory for non-Gaussian operations. In our framework, we consider Gaussian operations as free operations, and non-Gaussian operations as resources. We define entanglement-assisted non-Gaussianity generating power and show that it is a monotone that is nonincreasing under the set of free superoperations, i.e., concatenation and tensoring with Gaussian channels. For conditional unitary maps, this monotone can be analytically calculated. As examples, we show that the non-Gaussianity of ideal photon-number subtraction and photon-number addition equal the non-Gaussianity of the single-photon Fock state. Based on our non-Gaussianity monotone, we divide non-Gaussian operations into two classes: (i) the finite non-Gaussianity class, e.g., photon-number subtraction, photon-number addition, and all Gaussian-dilatable non-Gaussian channels; and (ii) the diverging non-Gaussianity class, e.g., the binary phase-shift channel and the Kerr nonlinearity. This classification also implies that not all non-Gaussian channels are exactly Gaussian dilatable. Our resource theory enables a quantitative characterization and a first classification of non-Gaussian operations, paving the way towards the full understanding of non-Gaussianity.

  3. Gaussian Accelerated Molecular Dynamics: Theory, Implementation, and Applications

    PubMed Central

    Miao, Yinglong; McCammon, J. Andrew

    2018-01-01

    A novel Gaussian Accelerated Molecular Dynamics (GaMD) method has been developed for simultaneous unconstrained enhanced sampling and free energy calculation of biomolecules. Without the need to set predefined reaction coordinates, GaMD enables unconstrained enhanced sampling of the biomolecules. Furthermore, by constructing a boost potential that follows a Gaussian distribution, accurate reweighting of GaMD simulations is achieved via cumulant expansion to the second order. The free energy profiles obtained from GaMD simulations allow us to identify distinct low energy states of the biomolecules and characterize biomolecular structural dynamics quantitatively. In this chapter, we present the theory of GaMD, its implementation in the widely used molecular dynamics software packages (AMBER and NAMD), and applications to the alanine dipeptide biomolecular model system, protein folding, biomolecular large-scale conformational transitions and biomolecular recognition. PMID:29720925

  4. A Gaussian Approximation Potential for Silicon

    NASA Astrophysics Data System (ADS)

    Bernstein, Noam; Bartók, Albert; Kermode, James; Csányi, Gábor

    We present an interatomic potential for silicon using the Gaussian Approximation Potential (GAP) approach, which uses the Gaussian process regression method to approximate the reference potential energy surface as a sum of atomic energies. Each atomic energy is approximated as a function of the local environment around the atom, which is described with the smooth overlap of atomic environments (SOAP) descriptor. The potential is fit to a database of energies, forces, and stresses calculated using density functional theory (DFT) on a wide range of configurations from zero and finite temperature simulations. These include crystalline phases, liquid, amorphous, and low coordination structures, and diamond-structure point defects, dislocations, surfaces, and cracks. We compare the results of the potential to DFT calculations, as well as to previously published models including Stillinger-Weber, Tersoff, modified embedded atom method (MEAM), and ReaxFF. We show that it is very accurate as compared to the DFT reference results for a wide range of properties, including low energy bulk phases, liquid structure, as well as point, line, and plane defects in the diamond structure.

  5. Gaussian processes: a method for automatic QSAR modeling of ADME properties.

    PubMed

    Obrezanova, Olga; Csanyi, Gabor; Gola, Joelle M R; Segall, Matthew D

    2007-01-01

    In this article, we discuss the application of the Gaussian Process method for the prediction of absorption, distribution, metabolism, and excretion (ADME) properties. On the basis of a Bayesian probabilistic approach, the method is widely used in the field of machine learning but has rarely been applied in quantitative structure-activity relationship and ADME modeling. The method is suitable for modeling nonlinear relationships, does not require subjective determination of the model parameters, works for a large number of descriptors, and is inherently resistant to overtraining. The performance of Gaussian Processes compares well with and often exceeds that of artificial neural networks. Due to these features, the Gaussian Processes technique is eminently suitable for automatic model generation-one of the demands of modern drug discovery. Here, we describe the basic concept of the method in the context of regression problems and illustrate its application to the modeling of several ADME properties: blood-brain barrier, hERG inhibition, and aqueous solubility at pH 7.4. We also compare Gaussian Processes with other modeling techniques.

  6. IBS for non-gaussian distributions

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

    Fedotov, A.; Sidorin, A.O.; Smirnov, A.V.

    In many situations distribution can significantly deviate from Gaussian which requires accurate treatment of IBS. Our original interest in this problem was motivated by the need to have an accurate description of beam evolution due to IBS while distribution is strongly affected by the external electron cooling force. A variety of models with various degrees of approximation were developed and implemented in BETACOOL in the past to address this topic. A more complete treatment based on the friction coefficient and full 3-D diffusion tensor was introduced in BETACOOL at the end of 2007 under the name 'local IBS model'. Suchmore » a model allowed us calculation of IBS for an arbitrary beam distribution. The numerical benchmarking of this local IBS algorithm and its comparison with other models was reported before. In this paper, after briefly describing the model and its limitations, they present its comparison with available experimental data.« less

  7. Gaussian effective potential: Quantum mechanics

    NASA Astrophysics Data System (ADS)

    Stevenson, P. M.

    1984-10-01

    We advertise the virtues of the Gaussian effective potential (GEP) as a guide to the behavior of quantum field theories. Much superior to the usual one-loop effective potential, the GEP is a natural extension of intuitive notions familiar from quantum mechanics. A variety of quantum-mechanical examples are studied here, with an eye to field-theoretic analogies. Quantum restoration of symmetry, dynamical mass generation, and "quantum-mechanical resuscitation" are among the phenomena discussed. We suggest how the GEP could become the basis of a systematic approximation procedure. A companion paper will deal with scalar field theory.

  8. Investigating Einstein-Podolsky-Rosen steering of continuous-variable bipartite states by non-Gaussian pseudospin measurements

    NASA Astrophysics Data System (ADS)

    Xiang, Yu; Xu, Buqing; Mišta, Ladislav; Tufarelli, Tommaso; He, Qiongyi; Adesso, Gerardo

    2017-10-01

    Einstein-Podolsky-Rosen (EPR) steering is an asymmetric form of correlations which is intermediate between quantum entanglement and Bell nonlocality, and can be exploited as a resource for quantum communication with one untrusted party. In particular, steering of continuous-variable Gaussian states has been extensively studied theoretically and experimentally, as a fundamental manifestation of the EPR paradox. While most of these studies focused on quadrature measurements for steering detection, two recent works revealed that there exist Gaussian states which are only steerable by suitable non-Gaussian measurements. In this paper we perform a systematic investigation of EPR steering of bipartite Gaussian states by pseudospin measurements, complementing and extending previous findings. We first derive the density-matrix elements of two-mode squeezed thermal Gaussian states in the Fock basis, which may be of independent interest. We then use such a representation to investigate steering of these states as detected by a simple nonlinear criterion, based on second moments of the correlation matrix constructed from pseudospin operators. This analysis reveals previously unexplored regimes where non-Gaussian measurements are shown to be more effective than Gaussian ones to witness steering of Gaussian states in the presence of local noise. We further consider an alternative set of pseudospin observables, whose expectation value can be expressed more compactly in terms of Wigner functions for all two-mode Gaussian states. However, according to the adopted criterion, these observables are found to be always less sensitive than conventional Gaussian observables for steering detection. Finally, we investigate continuous-variable Werner states, which are non-Gaussian mixtures of Gaussian states, and find that pseudospin measurements are always more effective than Gaussian ones to reveal their steerability. Our results provide useful insights on the role of non-Gaussian

  9. Quantum key distribution using basis encoding of Gaussian-modulated coherent states

    NASA Astrophysics Data System (ADS)

    Huang, Peng; Huang, Jingzheng; Zhang, Zheshen; Zeng, Guihua

    2018-04-01

    The continuous-variable quantum key distribution (CVQKD) has been demonstrated to be available in practical secure quantum cryptography. However, its performance is restricted strongly by the channel excess noise and the reconciliation efficiency. In this paper, we present a quantum key distribution (QKD) protocol by encoding the secret keys on the random choices of two measurement bases: the conjugate quadratures X and P . The employed encoding method can dramatically weaken the effects of channel excess noise and reconciliation efficiency on the performance of the QKD protocol. Subsequently, the proposed scheme exhibits the capability to tolerate much higher excess noise and enables us to reach a much longer secure transmission distance even at lower reconciliation efficiency. The proposal can work alternatively to strengthen significantly the performance of the known Gaussian-modulated CVQKD protocol and serve as a multiplier for practical secure quantum cryptography with continuous variables.

  10. Nonexistence of exact solutions agreeing with the Gaussian beam on the beam axis or in the focal plane

    NASA Astrophysics Data System (ADS)

    Lekner, John; Andrejic, Petar

    2018-01-01

    Solutions of the Helmholtz equation which describe electromagnetic beams (and also acoustic or particle beams) are discussed. We show that an exact solution which reproduces the Gaussian beam waveform on the beam axis does not exist. This is surprising, since the Gaussian beam is a solution of the paraxial equation, and thus supposedly accurate on and near the beam axis. Likewise, a solution of the Helmholtz equation which exactly reproduces the Gaussian beam in the focal plane does not exist. We show that the last statement also holds for Bessel-Gauss beams. However, solutions of the Helmholtz equation (one of which is discussed in detail) can approximate the Gaussian waveform within the central focal region.

  11. Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation.

    PubMed

    Miao, Yinglong; Feher, Victoria A; McCammon, J Andrew

    2015-08-11

    A Gaussian accelerated molecular dynamics (GaMD) approach for simultaneous enhanced sampling and free energy calculation of biomolecules is presented. By constructing a boost potential that follows Gaussian distribution, accurate reweighting of the GaMD simulations is achieved using cumulant expansion to the second order. Here, GaMD is demonstrated on three biomolecular model systems: alanine dipeptide, chignolin folding, and ligand binding to the T4-lysozyme. Without the need to set predefined reaction coordinates, GaMD enables unconstrained enhanced sampling of these biomolecules. Furthermore, the free energy profiles obtained from reweighting of the GaMD simulations allow us to identify distinct low-energy states of the biomolecules and characterize the protein-folding and ligand-binding pathways quantitatively.

  12. Receiver design for SPAD-based VLC systems under Poisson-Gaussian mixed noise model.

    PubMed

    Mao, Tianqi; Wang, Zhaocheng; Wang, Qi

    2017-01-23

    Single-photon avalanche diode (SPAD) is a promising photosensor because of its high sensitivity to optical signals in weak illuminance environment. Recently, it has drawn much attention from researchers in visible light communications (VLC). However, existing literature only deals with the simplified channel model, which only considers the effects of Poisson noise introduced by SPAD, but neglects other noise sources. Specifically, when an analog SPAD detector is applied, there exists Gaussian thermal noise generated by the transimpedance amplifier (TIA) and the digital-to-analog converter (D/A). Therefore, in this paper, we propose an SPAD-based VLC system with pulse-amplitude-modulation (PAM) under Poisson-Gaussian mixed noise model, where Gaussian-distributed thermal noise at the receiver is also investigated. The closed-form conditional likelihood of received signals is derived using the Laplace transform and the saddle-point approximation method, and the corresponding quasi-maximum-likelihood (quasi-ML) detector is proposed. Furthermore, the Poisson-Gaussian-distributed signals are converted to Gaussian variables with the aid of the generalized Anscombe transform (GAT), leading to an equivalent additive white Gaussian noise (AWGN) channel, and a hard-decision-based detector is invoked. Simulation results demonstrate that, the proposed GAT-based detector can reduce the computational complexity with marginal performance loss compared with the proposed quasi-ML detector, and both detectors are capable of accurately demodulating the SPAD-based PAM signals.

  13. Non-Gaussian operations on bosonic modes of light: Photon-added Gaussian channels

    NASA Astrophysics Data System (ADS)

    Sabapathy, Krishna Kumar; Winter, Andreas

    2017-06-01

    We present a framework for studying bosonic non-Gaussian channels of continuous-variable systems. Our emphasis is on a class of channels that we call photon-added Gaussian channels, which are experimentally viable with current quantum-optical technologies. A strong motivation for considering these channels is the fact that it is compulsory to go beyond the Gaussian domain for numerous tasks in continuous-variable quantum information processing such as entanglement distillation from Gaussian states and universal quantum computation. The single-mode photon-added channels we consider are obtained by using two-mode beam splitters and squeezing operators with photon addition applied to the ancilla ports giving rise to families of non-Gaussian channels. For each such channel, we derive its operator-sum representation, indispensable in the present context. We observe that these channels are Fock preserving (coherence nongenerating). We then report two examples of activation using our scheme of photon addition, that of quantum-optical nonclassicality at outputs of channels that would otherwise output only classical states and of both the quantum and private communication capacities, hinting at far-reaching applications for quantum-optical communication. Further, we see that noisy Gaussian channels can be expressed as a convex mixture of these non-Gaussian channels. We also present other physical and information-theoretic properties of these channels.

  14. Gaussian-input Gaussian mixture model for representing density maps and atomic models.

    PubMed

    Kawabata, Takeshi

    2018-07-01

    A new Gaussian mixture model (GMM) has been developed for better representations of both atomic models and electron microscopy 3D density maps. The standard GMM algorithm employs an EM algorithm to determine the parameters. It accepted a set of 3D points with weights, corresponding to voxel or atomic centers. Although the standard algorithm worked reasonably well; however, it had three problems. First, it ignored the size (voxel width or atomic radius) of the input, and thus it could lead to a GMM with a smaller spread than the input. Second, the algorithm had a singularity problem, as it sometimes stopped the iterative procedure due to a Gaussian function with almost zero variance. Third, a map with a large number of voxels required a long computation time for conversion to a GMM. To solve these problems, we have introduced a Gaussian-input GMM algorithm, which considers the input atoms or voxels as a set of Gaussian functions. The standard EM algorithm of GMM was extended to optimize the new GMM. The new GMM has identical radius of gyration to the input, and does not suddenly stop due to the singularity problem. For fast computation, we have introduced a down-sampled Gaussian functions (DSG) by merging neighboring voxels into an anisotropic Gaussian function. It provides a GMM with thousands of Gaussian functions in a short computation time. We also have introduced a DSG-input GMM: the Gaussian-input GMM with the DSG as the input. This new algorithm is much faster than the standard algorithm. Copyright © 2018 The Author(s). Published by Elsevier Inc. All rights reserved.

  15. Fast genomic predictions via Bayesian G-BLUP and multilocus models of threshold traits including censored Gaussian data.

    PubMed

    Kärkkäinen, Hanni P; Sillanpää, Mikko J

    2013-09-04

    Because of the increased availability of genome-wide sets of molecular markers along with reduced cost of genotyping large samples of individuals, genomic estimated breeding values have become an essential resource in plant and animal breeding. Bayesian methods for breeding value estimation have proven to be accurate and efficient; however, the ever-increasing data sets are placing heavy demands on the parameter estimation algorithms. Although a commendable number of fast estimation algorithms are available for Bayesian models of continuous Gaussian traits, there is a shortage for corresponding models of discrete or censored phenotypes. In this work, we consider a threshold approach of binary, ordinal, and censored Gaussian observations for Bayesian multilocus association models and Bayesian genomic best linear unbiased prediction and present a high-speed generalized expectation maximization algorithm for parameter estimation under these models. We demonstrate our method with simulated and real data. Our example analyses suggest that the use of the extra information present in an ordered categorical or censored Gaussian data set, instead of dichotomizing the data into case-control observations, increases the accuracy of genomic breeding values predicted by Bayesian multilocus association models or by Bayesian genomic best linear unbiased prediction. Furthermore, the example analyses indicate that the correct threshold model is more accurate than the directly used Gaussian model with a censored Gaussian data, while with a binary or an ordinal data the superiority of the threshold model could not be confirmed.

  16. Fast Genomic Predictions via Bayesian G-BLUP and Multilocus Models of Threshold Traits Including Censored Gaussian Data

    PubMed Central

    Kärkkäinen, Hanni P.; Sillanpää, Mikko J.

    2013-01-01

    Because of the increased availability of genome-wide sets of molecular markers along with reduced cost of genotyping large samples of individuals, genomic estimated breeding values have become an essential resource in plant and animal breeding. Bayesian methods for breeding value estimation have proven to be accurate and efficient; however, the ever-increasing data sets are placing heavy demands on the parameter estimation algorithms. Although a commendable number of fast estimation algorithms are available for Bayesian models of continuous Gaussian traits, there is a shortage for corresponding models of discrete or censored phenotypes. In this work, we consider a threshold approach of binary, ordinal, and censored Gaussian observations for Bayesian multilocus association models and Bayesian genomic best linear unbiased prediction and present a high-speed generalized expectation maximization algorithm for parameter estimation under these models. We demonstrate our method with simulated and real data. Our example analyses suggest that the use of the extra information present in an ordered categorical or censored Gaussian data set, instead of dichotomizing the data into case-control observations, increases the accuracy of genomic breeding values predicted by Bayesian multilocus association models or by Bayesian genomic best linear unbiased prediction. Furthermore, the example analyses indicate that the correct threshold model is more accurate than the directly used Gaussian model with a censored Gaussian data, while with a binary or an ordinal data the superiority of the threshold model could not be confirmed. PMID:23821618

  17. A Gaussian Model-Based Probabilistic Approach for Pulse Transit Time Estimation.

    PubMed

    Jang, Dae-Geun; Park, Seung-Hun; Hahn, Minsoo

    2016-01-01

    In this paper, we propose a new probabilistic approach to pulse transit time (PTT) estimation using a Gaussian distribution model. It is motivated basically by the hypothesis that PTTs normalized by RR intervals follow the Gaussian distribution. To verify the hypothesis, we demonstrate the effects of arterial compliance on the normalized PTTs using the Moens-Korteweg equation. Furthermore, we observe a Gaussian distribution of the normalized PTTs on real data. In order to estimate the PTT using the hypothesis, we first assumed that R-waves in the electrocardiogram (ECG) can be correctly identified. The R-waves limit searching ranges to detect pulse peaks in the photoplethysmogram (PPG) and to synchronize the results with cardiac beats--i.e., the peaks of the PPG are extracted within the corresponding RR interval of the ECG as pulse peak candidates. Their probabilities of being the actual pulse peak are then calculated using a Gaussian probability function. The parameters of the Gaussian function are automatically updated when a new pulse peak is identified. This update makes the probability function adaptive to variations of cardiac cycles. Finally, the pulse peak is identified as the candidate with the highest probability. The proposed approach is tested on a database where ECG and PPG waveforms are collected simultaneously during the submaximal bicycle ergometer exercise test. The results are promising, suggesting that the method provides a simple but more accurate PTT estimation in real applications.

  18. Hollow vortex Gaussian beams

    NASA Astrophysics Data System (ADS)

    Zhou, GuoQuan; Cai, YangJian; Dai, ChaoQing

    2013-05-01

    A kind of hollow vortex Gaussian beam is introduced. Based on the Collins integral, an analytical propagation formula of a hollow vortex Gaussian beam through a paraxial ABCD optical system is derived. Due to the special distribution of the optical field, which is caused by the initial vortex phase, the dark region of a hollow vortex Gaussian beam will not disappear upon propagation. The analytical expressions for the beam propagation factor, the kurtosis parameter, and the orbital angular momentum density of a hollow vortex Gaussian beam passing through a paraxial ABCD optical system are also derived, respectively. The beam propagation factor is determined by the beam order and the topological charge. The kurtosis parameter and the orbital angular momentum density depend on beam order n, topological charge m, parameter γ, and transfer matrix elements A and D. As a numerical example, the propagation properties of a hollow vortex Gaussian beam in free space are demonstrated. The hollow vortex Gaussian beam has eminent propagation stability and has crucial application prospects in optical micromanipulation.

  19. Optimal focusing conditions of lenses using Gaussian beams

    DOE PAGES

    Franco, Juan Manuel; Cywiak, Moisés; Cywiak, David; ...

    2016-04-02

    By using the analytical equations of the propagation of Gaussian beams in which truncation exhibits negligible consequences, we describe a method that uses the value of the focal length of a focusing lens to classify its focusing performance. In this study, we show that for different distances between a laser and a focusing lens there are different planes where best focusing conditions can be obtained and we demonstrate how the value of the focal length impacts the lens focusing properties. To perform the classification we introduce the term delimiting focal length. As the value of the focal length used inmore » wave propagation theory is nominal and difficult to measure accurately, we describe an experimental approach to calculate its value matching our analytical description. Finally, we describe possible applications of the results for characterizing Gaussian sources, for measuring focal lengths and/or alternatively for characterizing piston-like movements.« less

  20. Gaussian fitting for carotid and radial artery pressure waveforms: comparison between normal subjects and heart failure patients.

    PubMed

    Liu, Chengyu; Zheng, Dingchang; Zhao, Lina; Liu, Changchun

    2014-01-01

    It has been reported that Gaussian functions could accurately and reliably model both carotid and radial artery pressure waveforms (CAPW and RAPW). However, the physiological relevance of the characteristic features from the modeled Gaussian functions has been little investigated. This study thus aimed to determine characteristic features from the Gaussian functions and to make comparisons of them between normal subjects and heart failure patients. Fifty-six normal subjects and 51 patients with heart failure were studied with the CAPW and RAPW signals recorded simultaneously. The two signals were normalized first and then modeled by three positive Gaussian functions, with their peak amplitude, peak time, and half-width determined. Comparisons of these features were finally made between the two groups. Results indicated that the peak amplitude of the first Gaussian curve was significantly decreased in heart failure patients compared with normal subjects (P<0.001). Significantly increased peak amplitude of the second Gaussian curves (P<0.001) and significantly shortened peak times of the second and third Gaussian curves (both P<0.001) were also presented in heart failure patients. These results were true for both CAPW and RAPW signals, indicating the clinical significance of the Gaussian modeling, which should provide essential tools for further understanding the underlying physiological mechanisms of the artery pressure waveform.

  1. Subluminous phase velocity regions of an accurately described Gaussian laser field and laser-driven acceleration

    NASA Astrophysics Data System (ADS)

    Xie, Y. J.; Ho, Y. K.; Cao, N.; Shao, L.; Pang, J.; Chen, Z.; Zhang, S. Y.; Liu, J. R.

    2003-11-01

    By taking account of the high-order corrections to the paraxial approximation of a Gaussian beam, it has been verified that for a focused laser beam propagating in vacuum, there indeed exists a subluminous wave phase velocity region surrounding the laser beam axis. The magnitude of the phase velocity scales as Vϕm∼ c(1+ b/( kw0) 2), where Vϕm is the phase velocity of the wave, c is the speed of light in vacuum, w0 is the beam width at focus. This feature gives a reasonable explanation for the mechanism of capture and acceleration scenario.

  2. Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation

    PubMed Central

    2016-01-01

    A Gaussian accelerated molecular dynamics (GaMD) approach for simultaneous enhanced sampling and free energy calculation of biomolecules is presented. By constructing a boost potential that follows Gaussian distribution, accurate reweighting of the GaMD simulations is achieved using cumulant expansion to the second order. Here, GaMD is demonstrated on three biomolecular model systems: alanine dipeptide, chignolin folding, and ligand binding to the T4-lysozyme. Without the need to set predefined reaction coordinates, GaMD enables unconstrained enhanced sampling of these biomolecules. Furthermore, the free energy profiles obtained from reweighting of the GaMD simulations allow us to identify distinct low-energy states of the biomolecules and characterize the protein-folding and ligand-binding pathways quantitatively. PMID:26300708

  3. Quantum entanglement beyond Gaussian criteria.

    PubMed

    Gomes, R M; Salles, A; Toscano, F; Souto Ribeiro, P H; Walborn, S P

    2009-12-22

    Most of the attention given to continuous variable systems for quantum information processing has traditionally been focused on Gaussian states. However, non-Gaussianity is an essential requirement for universal quantum computation and entanglement distillation, and can improve the efficiency of other quantum information tasks. Here we report the experimental observation of genuine non-Gaussian entanglement using spatially entangled photon pairs. The quantum correlations are invisible to all second-order tests, which identify only Gaussian entanglement, and are revealed only under application of a higher-order entanglement criterion. Thus, the photons exhibit a variety of entanglement that cannot be reproduced by Gaussian states.

  4. Few-body problem in terms of correlated Gaussians

    NASA Astrophysics Data System (ADS)

    Silvestre-Brac, Bernard; Mathieu, Vincent

    2007-10-01

    In their textbook, Suzuki and Varga [Stochastic Variational Approach to Quantum-Mechanical Few-Body Problems (Springer, Berlin, 1998)] present the stochastic variational method with the correlated Gaussian basis in a very exhaustive way. However, the Fourier transform of these functions and their application to the management of a relativistic kinetic energy operator are missing and cannot be found in the literature. In this paper we present these interesting formulas. We also give a derivation for formulations concerning central potentials.

  5. Truncated Gaussians as tolerance sets

    NASA Technical Reports Server (NTRS)

    Cozman, Fabio; Krotkov, Eric

    1994-01-01

    This work focuses on the use of truncated Gaussian distributions as models for bounded data measurements that are constrained to appear between fixed limits. The authors prove that the truncated Gaussian can be viewed as a maximum entropy distribution for truncated bounded data, when mean and covariance are given. The characteristic function for the truncated Gaussian is presented; from this, algorithms are derived for calculation of mean, variance, summation, application of Bayes rule and filtering with truncated Gaussians. As an example of the power of their methods, a derivation of the disparity constraint (used in computer vision) from their models is described. The authors' approach complements results in Statistics, but their proposal is not only to use the truncated Gaussian as a model for selected data; they propose to model measurements as fundamentally in terms of truncated Gaussians.

  6. Third-Order Incremental Dual-Basis Set Zero-Buffer Approach: An Accurate and Efficient Way To Obtain CCSD and CCSD(T) Energies.

    PubMed

    Zhang, Jun; Dolg, Michael

    2013-07-09

    An efficient way to obtain accurate CCSD and CCSD(T) energies for large systems, i.e., the third-order incremental dual-basis set zero-buffer approach (inc3-db-B0), has been developed and tested. This approach combines the powerful incremental scheme with the dual-basis set method, and along with the new proposed K-means clustering (KM) method and zero-buffer (B0) approximation, can obtain very accurate absolute and relative energies efficiently. We tested the approach for 10 systems of different chemical nature, i.e., intermolecular interactions including hydrogen bonding, dispersion interaction, and halogen bonding; an intramolecular rearrangement reaction; aliphatic and conjugated hydrocarbon chains; three compact covalent molecules; and a water cluster. The results show that the errors for relative energies are <1.94 kJ/mol (or 0.46 kcal/mol), for absolute energies of <0.0026 hartree. By parallelization, our approach can be applied to molecules of more than 30 atoms and more than 100 correlated electrons with high-quality basis set such as cc-pVDZ or cc-pVTZ, saving computational cost by a factor of more than 10-20, compared to traditional implementation. The physical reasons of the success of the inc3-db-B0 approach are also analyzed.

  7. Quantum entanglement beyond Gaussian criteria

    PubMed Central

    Gomes, R. M.; Salles, A.; Toscano, F.; Souto Ribeiro, P. H.; Walborn, S. P.

    2009-01-01

    Most of the attention given to continuous variable systems for quantum information processing has traditionally been focused on Gaussian states. However, non-Gaussianity is an essential requirement for universal quantum computation and entanglement distillation, and can improve the efficiency of other quantum information tasks. Here we report the experimental observation of genuine non-Gaussian entanglement using spatially entangled photon pairs. The quantum correlations are invisible to all second-order tests, which identify only Gaussian entanglement, and are revealed only under application of a higher-order entanglement criterion. Thus, the photons exhibit a variety of entanglement that cannot be reproduced by Gaussian states. PMID:19995963

  8. Bayesian Analysis of Non-Gaussian Long-Range Dependent Processes

    NASA Astrophysics Data System (ADS)

    Graves, T.; Franzke, C.; Gramacy, R. B.; Watkins, N. W.

    2012-12-01

    Recent studies have strongly suggested that surface temperatures exhibit long-range dependence (LRD). The presence of LRD would hamper the identification of deterministic trends and the quantification of their significance. It is well established that LRD processes exhibit stochastic trends over rather long periods of time. Thus, accurate methods for discriminating between physical processes that possess long memory and those that do not are an important adjunct to climate modeling. We have used Markov Chain Monte Carlo algorithms to perform a Bayesian analysis of Auto-Regressive Fractionally-Integrated Moving-Average (ARFIMA) processes, which are capable of modeling LRD. Our principal aim is to obtain inference about the long memory parameter, d,with secondary interest in the scale and location parameters. We have developed a reversible-jump method enabling us to integrate over different model forms for the short memory component. We initially assume Gaussianity, and have tested the method on both synthetic and physical time series such as the Central England Temperature. Many physical processes, for example the Faraday time series from Antarctica, are highly non-Gaussian. We have therefore extended this work by weakening the Gaussianity assumption. Specifically, we assume a symmetric α -stable distribution for the innovations. Such processes provide good, flexible, initial models for non-Gaussian processes with long memory. We will present a study of the dependence of the posterior variance σ d of the memory parameter d on the length of the time series considered. This will be compared with equivalent error diagnostics for other measures of d.

  9. The application of midbond basis sets in efficient and accurate ab initio calculations on electron-deficient systems

    NASA Astrophysics Data System (ADS)

    Choi, Chu Hwan

    2002-09-01

    . Again they prove superior to conventional extended basis sets. Based on these results, we recommend our general approach as a highly efficient, accurate method for calculating weakly interacting systems.

  10. Gaussian Decomposition of Laser Altimeter Waveforms

    NASA Technical Reports Server (NTRS)

    Hofton, Michelle A.; Minster, J. Bernard; Blair, J. Bryan

    1999-01-01

    We develop a method to decompose a laser altimeter return waveform into its Gaussian components assuming that the position of each Gaussian within the waveform can be used to calculate the mean elevation of a specific reflecting surface within the laser footprint. We estimate the number of Gaussian components from the number of inflection points of a smoothed copy of the laser waveform, and obtain initial estimates of the Gaussian half-widths and positions from the positions of its consecutive inflection points. Initial amplitude estimates are obtained using a non-negative least-squares method. To reduce the likelihood of fitting the background noise within the waveform and to minimize the number of Gaussians needed in the approximation, we rank the "importance" of each Gaussian in the decomposition using its initial half-width and amplitude estimates. The initial parameter estimates of all Gaussians ranked "important" are optimized using the Levenburg-Marquardt method. If the sum of the Gaussians does not approximate the return waveform to a prescribed accuracy, then additional Gaussians are included in the optimization procedure. The Gaussian decomposition method is demonstrated on data collected by the airborne Laser Vegetation Imaging Sensor (LVIS) in October 1997 over the Sequoia National Forest, California.

  11. Three-photon Gaussian-Gaussian-Laguerre-Gaussian excitation of a localized atom to a highly excited Rydberg state

    NASA Astrophysics Data System (ADS)

    Mashhadi, L.

    2017-12-01

    Optical vortices are currently one of the most intensively studied topics in light-matter interaction. In this work, a three-step axial Doppler- and recoil-free Gaussian-Gaussian-Laguerre-Gaussian (GGLG) excitation of a localized atom to the highly excited Rydberg state is presented. By assuming a large detuning for intermediate states, an effective quadrupole excitation related to the Laguerre-Gaussian (LG) excitation to the highly excited Rydberg state is obtained. This special excitation system radially confines the single highly excited Rydberg atom independently of the trapping system into a sharp potential landscape into the so-called ‘far-off-resonance optical dipole-quadrupole trap’ (FORDQT). The key parameters of the Rydberg excitation to the highly excited state, namely the effective Rabi frequency and the effective detuning including a position-dependent AC Stark shift, are calculated in terms of the basic parameters of the LG beam and of the polarization of the excitation lasers. It is shown that the obtained parameters can be tuned to have a precise excitation of a single atom to the desired Rydberg state as well. The features of transferring the optical orbital and spin angular momentum of the polarized LG beam to the atom via quadrupole Rydberg excitation offer a long-lived and controllable qudit quantum memory. In addition, in contrast to the Gaussian laser beam, the doughnut-shaped LG beam makes it possible to use a high intensity laser beam to increase the signal-to-noise ratio in quadrupole excitation with minimized perturbations coming from stray light broadening in the last Rydberg excitation process.

  12. Localized basis sets for unbound electrons in nanoelectronics.

    PubMed

    Soriano, D; Jacob, D; Palacios, J J

    2008-02-21

    It is shown how unbound electron wave functions can be expanded in a suitably chosen localized basis sets for any desired range of energies. In particular, we focus on the use of Gaussian basis sets, commonly used in first-principles codes. The possible usefulness of these basis sets in a first-principles description of field emission or scanning tunneling microscopy at large bias is illustrated by studying a simpler related phenomenon: The lifetime of an electron in a H atom subjected to a strong electric field.

  13. Novel theory for propagation of tilted Gaussian beam through aligned optical system

    NASA Astrophysics Data System (ADS)

    Xia, Lei; Gao, Yunguo; Han, Xudong

    2017-03-01

    A novel theory for tilted beam propagation is established in this paper. By setting the propagation direction of the tilted beam as the new optical axis, we establish a virtual optical system that is aligned with the new optical axis. Within the first order approximation of the tilt and off-axis, the propagation of the tilted beam is studied in the virtual system instead of the actual system. To achieve more accurate optical field distributions of tilted Gaussian beams, a complete diffraction integral for a misaligned optical system is derived by using the matrix theory with angular momentums. The theory demonstrates that a tilted TEM00 Gaussian beam passing through an aligned optical element transforms into a decentered Gaussian beam along the propagation direction. The deviations between the peak intensity axis of the decentered Gaussian beam and the new optical axis have linear relationships with the misalignments in the virtual system. ZEMAX simulation of a tilted beam through a thick lens exposed to air shows that the errors between the simulation results and theoretical calculations of the position deviations are less than 2‰ when the misalignments εx, εy, εx', εy' are in the range of [-0.5, 0.5] mm and [-0.5, 0.5]°.

  14. Phase behavior of a fluid with a double Gaussian potential displaying waterlike features

    NASA Astrophysics Data System (ADS)

    Speranza, Cristina; Prestipino, Santi; Malescio, Gianpietro; Giaquinta, Paolo V.

    2014-07-01

    Pair potentials that are bounded at the origin provide an accurate description of the effective interaction for many systems of dissolved soft macromolecules (e.g., flexible dendrimers). Using numerical free-energy calculations, we reconstruct the equilibrium phase diagram of a system of particles interacting through a potential that brings together a Gaussian repulsion with a much weaker Gaussian attraction, close to the thermodynamic stability threshold. Compared to the purely repulsive model, only the reentrant branch of the melting line survives, since for lower densities solidification is overridden by liquid-vapor separation. As a result, the phase diagram of the system recalls that of water up to moderate (i.e., a few tens of MPa) pressures. Upon superimposing a suitable hard core on the double-Gaussian potential, a further transition to a more compact solid phase is induced at high pressure, which might be regarded as the analog of the ice I-to-ice III transition in water.

  15. AUTONOMOUS GAUSSIAN DECOMPOSITION

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

    Lindner, Robert R.; Vera-Ciro, Carlos; Murray, Claire E.

    2015-04-15

    We present a new algorithm, named Autonomous Gaussian Decomposition (AGD), for automatically decomposing spectra into Gaussian components. AGD uses derivative spectroscopy and machine learning to provide optimized guesses for the number of Gaussian components in the data, and also their locations, widths, and amplitudes. We test AGD and find that it produces results comparable to human-derived solutions on 21 cm absorption spectra from the 21 cm SPectral line Observations of Neutral Gas with the EVLA (21-SPONGE) survey. We use AGD with Monte Carlo methods to derive the H i line completeness as a function of peak optical depth and velocitymore » width for the 21-SPONGE data, and also show that the results of AGD are stable against varying observational noise intensity. The autonomy and computational efficiency of the method over traditional manual Gaussian fits allow for truly unbiased comparisons between observations and simulations, and for the ability to scale up and interpret the very large data volumes from the upcoming Square Kilometer Array and pathfinder telescopes.« less

  16. Quantification of Gaussian quantum steering.

    PubMed

    Kogias, Ioannis; Lee, Antony R; Ragy, Sammy; Adesso, Gerardo

    2015-02-13

    Einstein-Podolsky-Rosen steering incarnates a useful nonclassical correlation which sits between entanglement and Bell nonlocality. While a number of qualitative steering criteria exist, very little has been achieved for what concerns quantifying steerability. We introduce a computable measure of steering for arbitrary bipartite Gaussian states of continuous variable systems. For two-mode Gaussian states, the measure reduces to a form of coherent information, which is proven never to exceed entanglement, and to reduce to it on pure states. We provide an operational connection between our measure and the key rate in one-sided device-independent quantum key distribution. We further prove that Peres' conjecture holds in its stronger form within the fully Gaussian regime: namely, steering bound entangled Gaussian states by Gaussian measurements is impossible.

  17. Correlation consistent basis sets for the atoms In–Xe

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

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

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

  18. Some considerations about Gaussian basis sets for electric property calculations

    NASA Astrophysics Data System (ADS)

    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.

  19. Remaining Useful Life Prediction for Lithium-Ion Batteries Based on Gaussian Processes Mixture

    PubMed Central

    Li, Lingling; Wang, Pengchong; Chao, Kuei-Hsiang; Zhou, Yatong; Xie, Yang

    2016-01-01

    The remaining useful life (RUL) prediction of Lithium-ion batteries is closely related to the capacity degeneration trajectories. Due to the self-charging and the capacity regeneration, the trajectories have the property of multimodality. Traditional prediction models such as the support vector machines (SVM) or the Gaussian Process regression (GPR) cannot accurately characterize this multimodality. This paper proposes a novel RUL prediction method based on the Gaussian Process Mixture (GPM). It can process multimodality by fitting different segments of trajectories with different GPR models separately, such that the tiny differences among these segments can be revealed. The method is demonstrated to be effective for prediction by the excellent predictive result of the experiments on the two commercial and chargeable Type 1850 Lithium-ion batteries, provided by NASA. The performance comparison among the models illustrates that the GPM is more accurate than the SVM and the GPR. In addition, GPM can yield the predictive confidence interval, which makes the prediction more reliable than that of traditional models. PMID:27632176

  20. Gaussian States Minimize the Output Entropy of One-Mode Quantum Gaussian Channels

    NASA Astrophysics Data System (ADS)

    De Palma, Giacomo; Trevisan, Dario; Giovannetti, Vittorio

    2017-04-01

    We prove the long-standing conjecture stating that Gaussian thermal input states minimize the output von Neumann entropy of one-mode phase-covariant quantum Gaussian channels among all the input states with a given entropy. Phase-covariant quantum Gaussian channels model the attenuation and the noise that affect any electromagnetic signal in the quantum regime. Our result is crucial to prove the converse theorems for both the triple trade-off region and the capacity region for broadcast communication of the Gaussian quantum-limited amplifier. Our result extends to the quantum regime the entropy power inequality that plays a key role in classical information theory. Our proof exploits a completely new technique based on the recent determination of the p →q norms of the quantum-limited amplifier [De Palma et al., arXiv:1610.09967]. This technique can be applied to any quantum channel.

  1. Gaussian States Minimize the Output Entropy of One-Mode Quantum Gaussian Channels.

    PubMed

    De Palma, Giacomo; Trevisan, Dario; Giovannetti, Vittorio

    2017-04-21

    We prove the long-standing conjecture stating that Gaussian thermal input states minimize the output von Neumann entropy of one-mode phase-covariant quantum Gaussian channels among all the input states with a given entropy. Phase-covariant quantum Gaussian channels model the attenuation and the noise that affect any electromagnetic signal in the quantum regime. Our result is crucial to prove the converse theorems for both the triple trade-off region and the capacity region for broadcast communication of the Gaussian quantum-limited amplifier. Our result extends to the quantum regime the entropy power inequality that plays a key role in classical information theory. Our proof exploits a completely new technique based on the recent determination of the p→q norms of the quantum-limited amplifier [De Palma et al., arXiv:1610.09967]. This technique can be applied to any quantum channel.

  2. Non-Gaussian quantum states generation and robust quantum non-Gaussianity via squeezing field

    NASA Astrophysics Data System (ADS)

    Tang, Xu-Bing; Gao, Fang; Wang, Yao-Xiong; Kuang, Sen; Shuang, Feng

    2015-03-01

    Recent studies show that quantum non-Gaussian states or using non-Gaussian operations can improve entanglement distillation, quantum swapping, teleportation, and cloning. In this work, employing a strategy of non-Gaussian operations (namely subtracting and adding a single photon), we propose a scheme to generate non-Gaussian quantum states named single-photon-added and -subtracted coherent (SPASC) superposition states by implementing Bell measurements, and then investigate the corresponding nonclassical features. By squeezed the input field, we demonstrate that robustness of non-Gaussianity can be improved. Controllable phase space distribution offers the possibility to approximately generate a displaced coherent superposition states (DCSS). The fidelity can reach up to F ≥ 0.98 and F ≥ 0.90 for size of amplitude z = 1.53 and 2.36, respectively. Project supported by the National Natural Science Foundation of China (Grant Nos. 61203061 and 61074052), the Outstanding Young Talent Foundation of Anhui Province, China (Grant No. 2012SQRL040), and the Natural Science Foundation of Anhui Province, China (Grant No. KJ2012Z035).

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

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

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

    2017-07-15

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

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

    NASA Astrophysics Data System (ADS)

    Tsilifis, Panagiotis; Ghanem, Roger G.

    2017-07-01

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

  5. Linear Scaling Density Functional Calculations with Gaussian Orbitals

    NASA Technical Reports Server (NTRS)

    Scuseria, Gustavo E.

    1999-01-01

    Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

  6. The Gaussian atmospheric transport model and its sensitivity to the joint frequency distribution and parametric variability.

    PubMed

    Hamby, D M

    2002-01-01

    Reconstructed meteorological data are often used in some form of long-term wind trajectory models for estimating the historical impacts of atmospheric emissions. Meteorological data for the straight-line Gaussian plume model are put into a joint frequency distribution, a three-dimensional array describing atmospheric wind direction, speed, and stability. Methods using the Gaussian model and joint frequency distribution inputs provide reasonable estimates of downwind concentration and have been shown to be accurate to within a factor of four. We have used multiple joint frequency distributions and probabilistic techniques to assess the Gaussian plume model and determine concentration-estimate uncertainty and model sensitivity. We examine the straight-line Gaussian model while calculating both sector-averaged and annual-averaged relative concentrations at various downwind distances. The sector-average concentration model was found to be most sensitive to wind speed, followed by horizontal dispersion (sigmaZ), the importance of which increases as stability increases. The Gaussian model is not sensitive to stack height uncertainty. Precision of the frequency data appears to be most important to meteorological inputs when calculations are made for near-field receptors, increasing as stack height increases.

  7. Research on Bayes matting algorithm based on Gaussian mixture model

    NASA Astrophysics Data System (ADS)

    Quan, Wei; Jiang, Shan; Han, Cheng; Zhang, Chao; Jiang, Zhengang

    2015-12-01

    The digital matting problem is a classical problem of imaging. It aims at separating non-rectangular foreground objects from a background image, and compositing with a new background image. Accurate matting determines the quality of the compositing image. A Bayesian matting Algorithm Based on Gaussian Mixture Model is proposed to solve this matting problem. Firstly, the traditional Bayesian framework is improved by introducing Gaussian mixture model. Then, a weighting factor is added in order to suppress the noises of the compositing images. Finally, the effect is further improved by regulating the user's input. This algorithm is applied to matting jobs of classical images. The results are compared to the traditional Bayesian method. It is shown that our algorithm has better performance in detail such as hair. Our algorithm eliminates the noise well. And it is very effectively in dealing with the kind of work, such as interested objects with intricate boundaries.

  8. The properties of the anti-tumor model with coupling non-Gaussian noise and Gaussian colored noise

    NASA Astrophysics Data System (ADS)

    Guo, Qin; Sun, Zhongkui; Xu, Wei

    2016-05-01

    The anti-tumor model with correlation between multiplicative non-Gaussian noise and additive Gaussian-colored noise has been investigated in this paper. The behaviors of the stationary probability distribution demonstrate that the multiplicative non-Gaussian noise plays a dual role in the development of tumor and an appropriate additive Gaussian colored noise can lead to a minimum of the mean value of tumor cell population. The mean first passage time is calculated to quantify the effects of noises on the transition time of tumors between the stable states. An increase in both the non-Gaussian noise intensity and the departure from the Gaussian noise can accelerate the transition from the disease state to the healthy state. On the contrary, an increase in cross-correlated degree will slow down the transition. Moreover, the correlation time can enhance the stability of the disease state.

  9. Forecasts of non-Gaussian parameter spaces using Box-Cox transformations

    NASA Astrophysics Data System (ADS)

    Joachimi, B.; Taylor, A. N.

    2011-09-01

    Forecasts of statistical constraints on model parameters using the Fisher matrix abound in many fields of astrophysics. The Fisher matrix formalism involves the assumption of Gaussianity in parameter space and hence fails to predict complex features of posterior probability distributions. Combining the standard Fisher matrix with Box-Cox transformations, we propose a novel method that accurately predicts arbitrary posterior shapes. The Box-Cox transformations are applied to parameter space to render it approximately multivariate Gaussian, performing the Fisher matrix calculation on the transformed parameters. We demonstrate that, after the Box-Cox parameters have been determined from an initial likelihood evaluation, the method correctly predicts changes in the posterior when varying various parameters of the experimental setup and the data analysis, with marginally higher computational cost than a standard Fisher matrix calculation. We apply the Box-Cox-Fisher formalism to forecast cosmological parameter constraints by future weak gravitational lensing surveys. The characteristic non-linear degeneracy between matter density parameter and normalization of matter density fluctuations is reproduced for several cases, and the capabilities of breaking this degeneracy by weak-lensing three-point statistics is investigated. Possible applications of Box-Cox transformations of posterior distributions are discussed, including the prospects for performing statistical data analysis steps in the transformed Gaussianized parameter space.

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

    NASA Astrophysics Data System (ADS)

    Wieferink, Jürgen; Krüger, Peter; Pollmann, Johannes

    2006-11-01

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

  11. Laguerre-Gaussian, Hermite-Gaussian, Bessel-Gaussian, and Finite-Energy Airy Beams Carrying Orbital Angular Momentum in Strongly Nonlocal Nonlinear Media

    NASA Astrophysics Data System (ADS)

    Wu, Zhenkun; Gu, Yuzong

    2016-12-01

    The propagation of two-dimensional beams is analytically and numerically investigated in strongly nonlocal nonlinear media (SNNM) based on the ABCD matrix. The two-dimensional beams reported in this paper are described by the product of the superposition of generalized Laguerre-Gaussian (LG), Hermite-Gaussian (HG), Bessel-Gaussian (BG), and circular Airy (CA) beams, carrying an orbital angular momentum (OAM). Owing to OAM and the modulation of SNNM, we find that the propagation of these two-dimensional beams exhibits complete rotation and periodic inversion: the spatial intensity profile first extends and then diminishes, and during the propagation the process repeats to form a breath-like phenomenon.

  12. Inferring probabilistic stellar rotation periods using Gaussian processes

    NASA Astrophysics Data System (ADS)

    Angus, Ruth; Morton, Timothy; Aigrain, Suzanne; Foreman-Mackey, Daniel; Rajpaul, Vinesh

    2018-02-01

    Variability in the light curves of spotted, rotating stars is often non-sinusoidal and quasi-periodic - spots move on the stellar surface and have finite lifetimes, causing stellar flux variations to slowly shift in phase. A strictly periodic sinusoid therefore cannot accurately model a rotationally modulated stellar light curve. Physical models of stellar surfaces have many drawbacks preventing effective inference, such as highly degenerate or high-dimensional parameter spaces. In this work, we test an appropriate effective model: a Gaussian Process with a quasi-periodic covariance kernel function. This highly flexible model allows sampling of the posterior probability density function of the periodic parameter, marginalizing over the other kernel hyperparameters using a Markov Chain Monte Carlo approach. To test the effectiveness of this method, we infer rotation periods from 333 simulated stellar light curves, demonstrating that the Gaussian process method produces periods that are more accurate than both a sine-fitting periodogram and an autocorrelation function method. We also demonstrate that it works well on real data, by inferring rotation periods for 275 Kepler stars with previously measured periods. We provide a table of rotation periods for these and many more, altogether 1102 Kepler objects of interest, and their posterior probability density function samples. Because this method delivers posterior probability density functions, it will enable hierarchical studies involving stellar rotation, particularly those involving population modelling, such as inferring stellar ages, obliquities in exoplanet systems, or characterizing star-planet interactions. The code used to implement this method is available online.

  13. High-Order Local Pooling and Encoding Gaussians Over a Dictionary of Gaussians.

    PubMed

    Li, Peihua; Zeng, Hui; Wang, Qilong; Shiu, Simon C K; Zhang, Lei

    2017-07-01

    Local pooling (LP) in configuration (feature) space proposed by Boureau et al. explicitly restricts similar features to be aggregated, which can preserve as much discriminative information as possible. At the time it appeared, this method combined with sparse coding achieved competitive classification results with only a small dictionary. However, its performance lags far behind the state-of-the-art results as only the zero-order information is exploited. Inspired by the success of high-order statistical information in existing advanced feature coding or pooling methods, we make an attempt to address the limitation of LP. To this end, we present a novel method called high-order LP (HO-LP) to leverage the information higher than the zero-order one. Our idea is intuitively simple: we compute the first- and second-order statistics per configuration bin and model them as a Gaussian. Accordingly, we employ a collection of Gaussians as visual words to represent the universal probability distribution of features from all classes. Our problem is naturally formulated as encoding Gaussians over a dictionary of Gaussians as visual words. This problem, however, is challenging since the space of Gaussians is not a Euclidean space but forms a Riemannian manifold. We address this challenge by mapping Gaussians into the Euclidean space, which enables us to perform coding with common Euclidean operations rather than complex and often expensive Riemannian operations. Our HO-LP preserves the advantages of the original LP: pooling only similar features and using a small dictionary. Meanwhile, it achieves very promising performance on standard benchmarks, with either conventional, hand-engineered features or deep learning-based features.

  14. Radiation pressure acceleration of corrugated thin foils by Gaussian and super-Gaussian beams

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

    Adusumilli, K.; Goyal, D.; Tripathi, V. K.

    Rayleigh-Taylor instability of radiation pressure accelerated ultrathin foils by laser having Gaussian and super-Gaussian intensity distribution is investigated using a single fluid code. The foil is allowed to have ring shaped surface ripples. The radiation pressure force on such a foil is non-uniform with finite transverse component F{sub r}; F{sub r} varies periodically with r. Subsequently, the ripple grows as the foil moves ahead along z. With a Gaussian beam, the foil acquires an overall curvature due to non-uniformity in radiation pressure and gets thinner. In the process, the ripple perturbation is considerably washed off. With super-Gaussian beam, the ripplemore » is found to be more strongly washed out. In order to avoid transmission of the laser through the thinning foil, a criterion on the foil thickness is obtained.« less

  15. Beating the curse of dimension with accurate statistics for the Fokker-Planck equation in complex turbulent systems.

    PubMed

    Chen, Nan; Majda, Andrew J

    2017-12-05

    Solving the Fokker-Planck equation for high-dimensional complex dynamical systems is an important issue. Recently, the authors developed efficient statistically accurate algorithms for solving the Fokker-Planck equations associated with high-dimensional nonlinear turbulent dynamical systems with conditional Gaussian structures, which contain many strong non-Gaussian features such as intermittency and fat-tailed probability density functions (PDFs). The algorithms involve a hybrid strategy with a small number of samples [Formula: see text], where a conditional Gaussian mixture in a high-dimensional subspace via an extremely efficient parametric method is combined with a judicious Gaussian kernel density estimation in the remaining low-dimensional subspace. In this article, two effective strategies are developed and incorporated into these algorithms. The first strategy involves a judicious block decomposition of the conditional covariance matrix such that the evolutions of different blocks have no interactions, which allows an extremely efficient parallel computation due to the small size of each individual block. The second strategy exploits statistical symmetry for a further reduction of [Formula: see text] The resulting algorithms can efficiently solve the Fokker-Planck equation with strongly non-Gaussian PDFs in much higher dimensions even with orders in the millions and thus beat the curse of dimension. The algorithms are applied to a [Formula: see text]-dimensional stochastic coupled FitzHugh-Nagumo model for excitable media. An accurate recovery of both the transient and equilibrium non-Gaussian PDFs requires only [Formula: see text] samples! In addition, the block decomposition facilitates the algorithms to efficiently capture the distinct non-Gaussian features at different locations in a [Formula: see text]-dimensional two-layer inhomogeneous Lorenz 96 model, using only [Formula: see text] samples. Copyright © 2017 the Author(s). Published by PNAS.

  16. Extremality of Gaussian quantum states.

    PubMed

    Wolf, Michael M; Giedke, Geza; Cirac, J Ignacio

    2006-03-03

    We investigate Gaussian quantum states in view of their exceptional role within the space of all continuous variables states. A general method for deriving extremality results is provided and applied to entanglement measures, secret key distillation and the classical capacity of bosonic quantum channels. We prove that for every given covariance matrix the distillable secret key rate and the entanglement, if measured appropriately, are minimized by Gaussian states. This result leads to a clearer picture of the validity of frequently made Gaussian approximations. Moreover, it implies that Gaussian encodings are optimal for the transmission of classical information through bosonic channels, if the capacity is additive.

  17. Polyatomic molecular Dirac-Hartree-Fock calculations with Gaussian basis sets

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.; Faegri, Knut, Jr.; Taylor, Peter R.

    1990-01-01

    Numerical methods have been used successfully in atomic Dirac-Hartree-Fock (DHF) calculations for many years. Some DHF calculations using numerical methods have been done on diatomic molecules, but while these serve a useful purpose for calibration, the computational effort in extending this approach to polyatomic molecules is prohibitive. An alternative more in line with traditional quantum chemistry is to use an analytical basis set expansion of the wave function. This approach fell into disrepute in the early 1980's due to problems with variational collapse and intruder states, but has recently been put on firm theoretical foundations. In particular, the problems of variational collapse are well understood, and prescriptions for avoiding the most serious failures have been developed. Consequently, it is now possible to develop reliable molecular programs using basis set methods. This paper describes such a program and reports results of test calculations to demonstrate the convergence and stability of the method.

  18. Breaking Gaussian incompatibility on continuous variable quantum systems

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

    Heinosaari, Teiko, E-mail: teiko.heinosaari@utu.fi; Kiukas, Jukka, E-mail: jukka.kiukas@aber.ac.uk; Schultz, Jussi, E-mail: jussi.schultz@gmail.com

    2015-08-15

    We characterise Gaussian quantum channels that are Gaussian incompatibility breaking, that is, transform every set of Gaussian measurements into a set obtainable from a joint Gaussian observable via Gaussian postprocessing. Such channels represent local noise which renders measurements useless for Gaussian EPR-steering, providing the appropriate generalisation of entanglement breaking channels for this scenario. Understanding the structure of Gaussian incompatibility breaking channels contributes to the resource theory of noisy continuous variable quantum information protocols.

  19. Infrared maritime target detection using a probabilistic single Gaussian model of sea clutter in Fourier domain

    NASA Astrophysics Data System (ADS)

    Zhou, Anran; Xie, Weixin; Pei, Jihong; Chen, Yapei

    2018-02-01

    For ship targets detection in cluttered infrared image sequences, a robust detection method, based on the probabilistic single Gaussian model of sea background in Fourier domain, is put forward. The amplitude spectrum sequences at each frequency point of the pure seawater images in Fourier domain, being more stable than the gray value sequences of each background pixel in the spatial domain, are regarded as a Gaussian model. Next, a probability weighted matrix is built based on the stability of the pure seawater's total energy spectrum in the row direction, to make the Gaussian model more accurate. Then, the foreground frequency points are separated from the background frequency points by the model. Finally, the false-alarm points are removed utilizing ships' shape features. The performance of the proposed method is tested by visual and quantitative comparisons with others.

  20. Multi-fidelity Gaussian process regression for prediction of random fields

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

    Parussini, L.; Venturi, D., E-mail: venturi@ucsc.edu; Perdikaris, P.

    We propose a new multi-fidelity Gaussian process regression (GPR) approach for prediction of random fields based on observations of surrogate models or hierarchies of surrogate models. Our method builds upon recent work on recursive Bayesian techniques, in particular recursive co-kriging, and extends it to vector-valued fields and various types of covariances, including separable and non-separable ones. The framework we propose is general and can be used to perform uncertainty propagation and quantification in model-based simulations, multi-fidelity data fusion, and surrogate-based optimization. We demonstrate the effectiveness of the proposed recursive GPR techniques through various examples. Specifically, we study the stochastic Burgersmore » equation and the stochastic Oberbeck–Boussinesq equations describing natural convection within a square enclosure. In both cases we find that the standard deviation of the Gaussian predictors as well as the absolute errors relative to benchmark stochastic solutions are very small, suggesting that the proposed multi-fidelity GPR approaches can yield highly accurate results.« less

  1. Bayesian Analysis of Non-Gaussian Long-Range Dependent Processes

    NASA Astrophysics Data System (ADS)

    Graves, Timothy; Watkins, Nicholas; Franzke, Christian; Gramacy, Robert

    2013-04-01

    Recent studies [e.g. the Antarctic study of Franzke, J. Climate, 2010] have strongly suggested that surface temperatures exhibit long-range dependence (LRD). The presence of LRD would hamper the identification of deterministic trends and the quantification of their significance. It is well established that LRD processes exhibit stochastic trends over rather long periods of time. Thus, accurate methods for discriminating between physical processes that possess long memory and those that do not are an important adjunct to climate modeling. As we briefly review, the LRD idea originated at the same time as H-selfsimilarity, so it is often not realised that a model does not have to be H-self similar to show LRD [e.g. Watkins, GRL Frontiers, 2013]. We have used Markov Chain Monte Carlo algorithms to perform a Bayesian analysis of Auto-Regressive Fractionally-Integrated Moving-Average ARFIMA(p,d,q) processes, which are capable of modeling LRD. Our principal aim is to obtain inference about the long memory parameter, d, with secondary interest in the scale and location parameters. We have developed a reversible-jump method enabling us to integrate over different model forms for the short memory component. We initially assume Gaussianity, and have tested the method on both synthetic and physical time series. Many physical processes, for example the Faraday Antarctic time series, are significantly non-Gaussian. We have therefore extended this work by weakening the Gaussianity assumption, assuming an alpha-stable distribution for the innovations, and performing joint inference on d and alpha. Such a modified FARIMA(p,d,q) process is a flexible, initial model for non-Gaussian processes with long memory. We will present a study of the dependence of the posterior variance of the memory parameter d on the length of the time series considered. This will be compared with equivalent error diagnostics for other measures of d.

  2. Arbitrage with fractional Gaussian processes

    NASA Astrophysics Data System (ADS)

    Zhang, Xili; Xiao, Weilin

    2017-04-01

    While the arbitrage opportunity in the Black-Scholes model driven by fractional Brownian motion has a long history, the arbitrage strategy in the Black-Scholes model driven by general fractional Gaussian processes is in its infancy. The development of stochastic calculus with respect to fractional Gaussian processes allowed us to study such models. In this paper, following the idea of Shiryaev (1998), an arbitrage strategy is constructed for the Black-Scholes model driven by fractional Gaussian processes, when the stochastic integral is interpreted in the Riemann-Stieltjes sense. Arbitrage opportunities in some fractional Gaussian processes, including fractional Brownian motion, sub-fractional Brownian motion, bi-fractional Brownian motion, weighted-fractional Brownian motion and tempered fractional Brownian motion, are also investigated.

  3. Operator-sum representation for bosonic Gaussian channels

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

    Ivan, J. Solomon; Sabapathy, Krishna Kumar; Simon, R.

    2011-10-15

    Operator-sum or Kraus representations for single-mode bosonic Gaussian channels are developed, and several of their consequences explored. The fact that the two-mode metaplectic operators acting as unitary purification of these channels do not, in their canonical form, mix the position and momentum variables is exploited to present a procedure which applies uniformly to all families in the Holevo classification. In this procedure the Kraus operators of every quantum-limited Gaussian channel can be simply read off from the matrix elements of a corresponding metaplectic operator. Kraus operators are employed to bring out, in the Fock basis, the manner in which themore » antilinear, unphysical matrix transposition map when accompanied by injection of a threshold classical noise becomes a physical channel, denoted D({kappa}) in the Holevo classification. The matrix transposition channels D({kappa}), D({kappa}{sup -1}) turn out to be a dual pair in the sense that their Kraus operators are related by the adjoint operation. The amplifier channel with amplification factor {kappa} and the beam-splitter channel with attenuation factor {kappa}{sup -1} turn out to be mutually dual in the same sense. The action of the quantum-limited attenuator and amplifier channels as simply scaling maps on suitable quasiprobabilities in phase space is examined in the Kraus picture. Consideration of cumulants is used to examine the issue of fixed points. The semigroup property of the amplifier and attenuator families leads in both cases to a Zeno-like effect arising as a consequence of interrupted evolution. In the cases of entanglement-breaking channels a description in terms of rank 1 Kraus operators is shown to emerge quite simply. In contradistinction, it is shown that there is not even one finite rank operator in the entire linear span of Kraus operators of the quantum-limited amplifier or attenuator families, an assertion far stronger than the statement that these are not entanglement

  4. Gaussian polarizable-ion tight binding.

    PubMed

    Boleininger, Max; Guilbert, Anne Ay; Horsfield, Andrew P

    2016-10-14

    To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

  5. Gaussian polarizable-ion tight binding

    NASA Astrophysics Data System (ADS)

    Boleininger, Max; Guilbert, Anne AY; Horsfield, Andrew P.

    2016-10-01

    To interpret ultrafast dynamics experiments on large molecules, computer simulation is required due to the complex response to the laser field. We present a method capable of efficiently computing the static electronic response of large systems to external electric fields. This is achieved by extending the density-functional tight binding method to include larger basis sets and by multipole expansion of the charge density into electrostatically interacting Gaussian distributions. Polarizabilities for a range of hydrocarbon molecules are computed for a multipole expansion up to quadrupole order, giving excellent agreement with experimental values, with average errors similar to those from density functional theory, but at a small fraction of the cost. We apply the model in conjunction with the polarizable-point-dipoles model to estimate the internal fields in amorphous poly(3-hexylthiophene-2,5-diyl).

  6. Numerical modeling of macrodispersion in heterogeneous media: a comparison of multi-Gaussian and non-multi-Gaussian models

    NASA Astrophysics Data System (ADS)

    Wen, Xian-Huan; Gómez-Hernández, J. Jaime

    1998-03-01

    The macrodispersion of an inert solute in a 2-D heterogeneous porous media is estimated numerically in a series of fields of varying heterogeneity. Four different random function (RF) models are used to model log-transmissivity (ln T) spatial variability, and for each of these models, ln T variance is varied from 0.1 to 2.0. The four RF models share the same univariate Gaussian histogram and the same isotropic covariance, but differ from one another in terms of the spatial connectivity patterns at extreme transmissivity values. More specifically, model A is a multivariate Gaussian model for which, by definition, extreme values (both high and low) are spatially uncorrelated. The other three models are non-multi-Gaussian: model B with high connectivity of high extreme values, model C with high connectivity of low extreme values, and model D with high connectivities of both high and low extreme values. Residence time distributions (RTDs) and macrodispersivities (longitudinal and transverse) are computed on ln T fields corresponding to the different RF models, for two different flow directions and at several scales. They are compared with each other, as well as with predicted values based on first-order analytical results. Numerically derived RTDs and macrodispersivities for the multi-Gaussian model are in good agreement with analytically derived values using first-order theories for log-transmissivity variance up to 2.0. The results from the non-multi-Gaussian models differ from each other and deviate largely from the multi-Gaussian results even when ln T variance is small. RTDs in non-multi-Gaussian realizations with high connectivity at high extreme values display earlier breakthrough than in multi-Gaussian realizations, whereas later breakthrough and longer tails are observed for RTDs from non-multi-Gaussian realizations with high connectivity at low extreme values. Longitudinal macrodispersivities in the non-multi-Gaussian realizations are, in general, larger than

  7. Revealing nonclassicality beyond Gaussian states via a single marginal distribution.

    PubMed

    Park, Jiyong; Lu, Yao; Lee, Jaehak; Shen, Yangchao; Zhang, Kuan; Zhang, Shuaining; Zubairy, Muhammad Suhail; Kim, Kihwan; Nha, Hyunchul

    2017-01-31

    A standard method to obtain information on a quantum state is to measure marginal distributions along many different axes in phase space, which forms a basis of quantum-state tomography. We theoretically propose and experimentally demonstrate a general framework to manifest nonclassicality by observing a single marginal distribution only, which provides a unique insight into nonclassicality and a practical applicability to various quantum systems. Our approach maps the 1D marginal distribution into a factorized 2D distribution by multiplying the measured distribution or the vacuum-state distribution along an orthogonal axis. The resulting fictitious Wigner function becomes unphysical only for a nonclassical state; thus the negativity of the corresponding density operator provides evidence of nonclassicality. Furthermore, the negativity measured this way yields a lower bound for entanglement potential-a measure of entanglement generated using a nonclassical state with a beam-splitter setting that is a prototypical model to produce continuous-variable (CV) entangled states. Our approach detects both Gaussian and non-Gaussian nonclassical states in a reliable and efficient manner. Remarkably, it works regardless of measurement axis for all non-Gaussian states in finite-dimensional Fock space of any size, also extending to infinite-dimensional states of experimental relevance for CV quantum informatics. We experimentally illustrate the power of our criterion for motional states of a trapped ion, confirming their nonclassicality in a measurement-axis-independent manner. We also address an extension of our approach combined with phase-shift operations, which leads to a stronger test of nonclassicality, that is, detection of genuine non-Gaussianity under a CV measurement.

  8. Revealing nonclassicality beyond Gaussian states via a single marginal distribution

    PubMed Central

    Park, Jiyong; Lu, Yao; Lee, Jaehak; Shen, Yangchao; Zhang, Kuan; Zhang, Shuaining; Zubairy, Muhammad Suhail; Kim, Kihwan; Nha, Hyunchul

    2017-01-01

    A standard method to obtain information on a quantum state is to measure marginal distributions along many different axes in phase space, which forms a basis of quantum-state tomography. We theoretically propose and experimentally demonstrate a general framework to manifest nonclassicality by observing a single marginal distribution only, which provides a unique insight into nonclassicality and a practical applicability to various quantum systems. Our approach maps the 1D marginal distribution into a factorized 2D distribution by multiplying the measured distribution or the vacuum-state distribution along an orthogonal axis. The resulting fictitious Wigner function becomes unphysical only for a nonclassical state; thus the negativity of the corresponding density operator provides evidence of nonclassicality. Furthermore, the negativity measured this way yields a lower bound for entanglement potential—a measure of entanglement generated using a nonclassical state with a beam-splitter setting that is a prototypical model to produce continuous-variable (CV) entangled states. Our approach detects both Gaussian and non-Gaussian nonclassical states in a reliable and efficient manner. Remarkably, it works regardless of measurement axis for all non-Gaussian states in finite-dimensional Fock space of any size, also extending to infinite-dimensional states of experimental relevance for CV quantum informatics. We experimentally illustrate the power of our criterion for motional states of a trapped ion, confirming their nonclassicality in a measurement-axis–independent manner. We also address an extension of our approach combined with phase-shift operations, which leads to a stronger test of nonclassicality, that is, detection of genuine non-Gaussianity under a CV measurement. PMID:28077456

  9. Self-accelerating Airy-Ince-Gaussian and Airy-Helical-Ince-Gaussian light bullets in free space.

    PubMed

    Peng, Yulian; Chen, Bo; Peng, Xi; Zhou, Meiling; Zhang, Liping; Li, Dongdong; Deng, Dongmei

    2016-08-22

    The evolution of the three-dimensional (3D) self-accelerating Airy-Ince-Gaussian (AiIG) and Airy-Helical-Ince-Gaussian (AiHIG) light bullets is investigated by solving the (3+1)D linear spatiotemporal evolution equation of an optical field analytically. As far as we know, the numerical experimental demonstrations of the Ince-Gaussian (IG) and Helical-Ince-Gaussian (HIG) beams in various modes are first developed to study the evolution characteristics of the different 3D spatiotemporal light bullets. A conclusion can be drawn that the different photoelastics, pulse stacked, boundary, elliptical ring and physically separated in-line vortices can be achieved by adjusting the ellipticity, the evolution distance and the mode-number of light bullets.

  10. Computational Stimulation of the Basal Ganglia Neurons with Cost Effective Delayed Gaussian Waveforms

    PubMed Central

    Daneshzand, Mohammad; Faezipour, Miad; Barkana, Buket D.

    2017-01-01

    Deep brain stimulation (DBS) has compelling results in the desynchronization of the basal ganglia neuronal activities and thus, is used in treating the motor symptoms of Parkinson's disease (PD). Accurate definition of DBS waveform parameters could avert tissue or electrode damage, increase the neuronal activity and reduce energy cost which will prolong the battery life, hence avoiding device replacement surgeries. This study considers the use of a charge balanced Gaussian waveform pattern as a method to disrupt the firing patterns of neuronal cell activity. A computational model was created to simulate ganglia cells and their interactions with thalamic neurons. From the model, we investigated the effects of modified DBS pulse shapes and proposed a delay period between the cathodic and anodic parts of the charge balanced Gaussian waveform to desynchronize the firing patterns of the GPe and GPi cells. The results of the proposed Gaussian waveform with delay outperformed that of rectangular DBS waveforms used in in-vivo experiments. The Gaussian Delay Gaussian (GDG) waveforms achieved lower number of misses in eliciting action potential while having a lower amplitude and shorter length of delay compared to numerous different pulse shapes. The amount of energy consumed in the basal ganglia network due to GDG waveforms was dropped by 22% in comparison with charge balanced Gaussian waveforms without any delay between the cathodic and anodic parts and was also 60% lower than a rectangular charged balanced pulse with a delay between the cathodic and anodic parts of the waveform. Furthermore, by defining a Synchronization Level metric, we observed that the GDG waveform was able to reduce the synchronization of GPi neurons more effectively than any other waveform. The promising results of GDG waveforms in terms of eliciting action potential, desynchronization of the basal ganglia neurons and reduction of energy consumption can potentially enhance the performance of DBS

  11. Computational Stimulation of the Basal Ganglia Neurons with Cost Effective Delayed Gaussian Waveforms.

    PubMed

    Daneshzand, Mohammad; Faezipour, Miad; Barkana, Buket D

    2017-01-01

    Deep brain stimulation (DBS) has compelling results in the desynchronization of the basal ganglia neuronal activities and thus, is used in treating the motor symptoms of Parkinson's disease (PD). Accurate definition of DBS waveform parameters could avert tissue or electrode damage, increase the neuronal activity and reduce energy cost which will prolong the battery life, hence avoiding device replacement surgeries. This study considers the use of a charge balanced Gaussian waveform pattern as a method to disrupt the firing patterns of neuronal cell activity. A computational model was created to simulate ganglia cells and their interactions with thalamic neurons. From the model, we investigated the effects of modified DBS pulse shapes and proposed a delay period between the cathodic and anodic parts of the charge balanced Gaussian waveform to desynchronize the firing patterns of the GPe and GPi cells. The results of the proposed Gaussian waveform with delay outperformed that of rectangular DBS waveforms used in in-vivo experiments. The Gaussian Delay Gaussian (GDG) waveforms achieved lower number of misses in eliciting action potential while having a lower amplitude and shorter length of delay compared to numerous different pulse shapes. The amount of energy consumed in the basal ganglia network due to GDG waveforms was dropped by 22% in comparison with charge balanced Gaussian waveforms without any delay between the cathodic and anodic parts and was also 60% lower than a rectangular charged balanced pulse with a delay between the cathodic and anodic parts of the waveform. Furthermore, by defining a Synchronization Level metric, we observed that the GDG waveform was able to reduce the synchronization of GPi neurons more effectively than any other waveform. The promising results of GDG waveforms in terms of eliciting action potential, desynchronization of the basal ganglia neurons and reduction of energy consumption can potentially enhance the performance of DBS

  12. Accurate D-bar Reconstructions of Conductivity Images Based on a Method of Moment with Sinc Basis.

    PubMed

    Abbasi, Mahdi

    2014-01-01

    Planar D-bar integral equation is one of the inverse scattering solution methods for complex problems including inverse conductivity considered in applications such as Electrical impedance tomography (EIT). Recently two different methodologies are considered for the numerical solution of D-bar integrals equation, namely product integrals and multigrid. The first one involves high computational burden and the other one suffers from low convergence rate (CR). In this paper, a novel high speed moment method based using the sinc basis is introduced to solve the two-dimensional D-bar integral equation. In this method, all functions within D-bar integral equation are first expanded using the sinc basis functions. Then, the orthogonal properties of their products dissolve the integral operator of the D-bar equation and results a discrete convolution equation. That is, the new moment method leads to the equation solution without direct computation of the D-bar integral. The resulted discrete convolution equation maybe adapted to a suitable structure to be solved using fast Fourier transform. This allows us to reduce the order of computational complexity to as low as O (N (2)log N). Simulation results on solving D-bar equations arising in EIT problem show that the proposed method is accurate with an ultra-linear CR.

  13. Real-time model learning using Incremental Sparse Spectrum Gaussian Process Regression.

    PubMed

    Gijsberts, Arjan; Metta, Giorgio

    2013-05-01

    Novel applications in unstructured and non-stationary human environments require robots that learn from experience and adapt autonomously to changing conditions. Predictive models therefore not only need to be accurate, but should also be updated incrementally in real-time and require minimal human intervention. Incremental Sparse Spectrum Gaussian Process Regression is an algorithm that is targeted specifically for use in this context. Rather than developing a novel algorithm from the ground up, the method is based on the thoroughly studied Gaussian Process Regression algorithm, therefore ensuring a solid theoretical foundation. Non-linearity and a bounded update complexity are achieved simultaneously by means of a finite dimensional random feature mapping that approximates a kernel function. As a result, the computational cost for each update remains constant over time. Finally, algorithmic simplicity and support for automated hyperparameter optimization ensures convenience when employed in practice. Empirical validation on a number of synthetic and real-life learning problems confirms that the performance of Incremental Sparse Spectrum Gaussian Process Regression is superior with respect to the popular Locally Weighted Projection Regression, while computational requirements are found to be significantly lower. The method is therefore particularly suited for learning with real-time constraints or when computational resources are limited. Copyright © 2012 Elsevier Ltd. All rights reserved.

  14. Conditional and unconditional Gaussian quantum dynamics

    NASA Astrophysics Data System (ADS)

    Genoni, Marco G.; Lami, Ludovico; Serafini, Alessio

    2016-07-01

    This article focuses on the general theory of open quantum systems in the Gaussian regime and explores a number of diverse ramifications and consequences of the theory. We shall first introduce the Gaussian framework in its full generality, including a classification of Gaussian (also known as 'general-dyne') quantum measurements. In doing so, we will give a compact proof for the parametrisation of the most general Gaussian completely positive map, which we believe to be missing in the existing literature. We will then move on to consider the linear coupling with a white noise bath, and derive the diffusion equations that describe the evolution of Gaussian states under such circumstances. Starting from these equations, we outline a constructive method to derive general master equations that apply outside the Gaussian regime. Next, we include the general-dyne monitoring of the environmental degrees of freedom and recover the Riccati equation for the conditional evolution of Gaussian states. Our derivation relies exclusively on the standard quantum mechanical update of the system state, through the evaluation of Gaussian overlaps. The parametrisation of the conditional dynamics we obtain is novel and, at variance with existing alternatives, directly ties in to physical detection schemes. We conclude our study with two examples of conditional dynamics that can be dealt with conveniently through our formalism, demonstrating how monitoring can suppress the noise in optical parametric processes as well as stabilise systems subject to diffusive scattering.

  15. Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

    NASA Astrophysics Data System (ADS)

    Hill, J. Grant; Peterson, Kirk A.

    2017-12-01

    New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

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

    PubMed

    Issack, Bilkiss B; Roy, Pierre-Nicholas

    2005-08-22

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

  17. Full-wave generalizations of the fundamental Gaussian beam.

    PubMed

    Seshadri, S R

    2009-12-01

    The basic full wave corresponding to the fundamental Gaussian beam was discovered for the outwardly propagating wave in a half-space by the introduction of a source in the complex space. There is a class of extended full waves all of which reduce to the same fundamental Gaussian beam in the appropriate limit. For the extended full Gaussian waves that include the basic full Gaussian wave as a special case, the sources are in the complex space on different planes transverse to the propagation direction. The sources are cylindrically symmetric Gaussian distributions centered at the origin of the transverse planes, the axis of symmetry being the propagation direction. For the special case of the basic full Gaussian wave, the source is a point source. The radiation intensity of the extended full Gaussian waves is determined and their characteristics are discussed and compared with those of the fundamental Gaussian beam. The extended full Gaussian waves are also obtained for the oppositely propagating outwardly directed waves in the second half-space. The radiation intensity distributions in the two half-spaces have reflection symmetry about the midplane. The radiation intensity distributions of the various extended full Gaussian waves are not significantly different. The power carried by the extended full Gaussian waves is evaluated and compared with that of the fundamental Gaussian beam.

  18. White Gaussian Noise - Models for Engineers

    NASA Astrophysics Data System (ADS)

    Jondral, Friedrich K.

    2018-04-01

    This paper assembles some information about white Gaussian noise (WGN) and its applications. It starts from a description of thermal noise, i. e. the irregular motion of free charge carriers in electronic devices. In a second step, mathematical models of WGN processes and their most important parameters, especially autocorrelation functions and power spectrum densities, are introduced. In order to proceed from mathematical models to simulations, we discuss the generation of normally distributed random numbers. The signal-to-noise ratio as the most important quality measure used in communications, control or measurement technology is accurately introduced. As a practical application of WGN, the transmission of quadrature amplitude modulated (QAM) signals over additive WGN channels together with the optimum maximum likelihood (ML) detector is considered in a demonstrative and intuitive way.

  19. Improved Gaussian Beam-Scattering Algorithm

    NASA Technical Reports Server (NTRS)

    Lock, James A.

    1995-01-01

    The localized model of the beam-shape coefficients for Gaussian beam-scattering theory by a spherical particle provides a great simplification in the numerical implementation of the theory. We derive an alternative form for the localized coefficients that is more convenient for computer computations and that provides physical insight into the details of the scattering process. We construct a FORTRAN program for Gaussian beam scattering with the localized model and compare its computer run time on a personal computer with that of a traditional Mie scattering program and with three other published methods for computing Gaussian beam scattering. We show that the analytical form of the beam-shape coefficients makes evident the fact that the excitation rate of morphology-dependent resonances is greatly enhanced for far off-axis incidence of the Gaussian beam.

  20. A Prediction Model for Functional Outcomes in Spinal Cord Disorder Patients Using Gaussian Process Regression.

    PubMed

    Lee, Sunghoon Ivan; Mortazavi, Bobak; Hoffman, Haydn A; Lu, Derek S; Li, Charles; Paak, Brian H; Garst, Jordan H; Razaghy, Mehrdad; Espinal, Marie; Park, Eunjeong; Lu, Daniel C; Sarrafzadeh, Majid

    2016-01-01

    Predicting the functional outcomes of spinal cord disorder patients after medical treatments, such as a surgical operation, has always been of great interest. Accurate posttreatment prediction is especially beneficial for clinicians, patients, care givers, and therapists. This paper introduces a prediction method for postoperative functional outcomes by a novel use of Gaussian process regression. The proposed method specifically considers the restricted value range of the target variables by modeling the Gaussian process based on a truncated Normal distribution, which significantly improves the prediction results. The prediction has been made in assistance with target tracking examinations using a highly portable and inexpensive handgrip device, which greatly contributes to the prediction performance. The proposed method has been validated through a dataset collected from a clinical cohort pilot involving 15 patients with cervical spinal cord disorder. The results show that the proposed method can accurately predict postoperative functional outcomes, Oswestry disability index and target tracking scores, based on the patient's preoperative information with a mean absolute error of 0.079 and 0.014 (out of 1.0), respectively.

  1. Neglecting primordial non-Gaussianity threatens future cosmological experiment accuracy

    NASA Astrophysics Data System (ADS)

    Camera, Stefano; Carbone, Carmelita; Fedeli, Cosimo; Moscardini, Lauro

    2015-02-01

    Future galaxy redshift surveys aim at probing the clustering of the cosmic large-scale structure with unprecedented accuracy, thus complementing cosmic microwave background experiments in the quest to deliver the most precise and accurate picture ever of our Universe. Analyses of such measurements are usually performed within the context of the so-called vanilla Λ CDM model—the six-parameter phenomenological model which, for instance, emerges from best fits against the recent data obtained by the Planck satellite. Here, we show that such an approach is prone to subtle systematics when the Gaussianity of primordial fluctuations is concerned. In particular, we demonstrate that, if we neglect even a tiny amount of primordial non-Gaussianity—fully consistent with current limits—we shall introduce spurious biases in the reconstruction of cosmological parameters. This is a serious issue that must be properly accounted for in view of accurate (as well as precise) cosmology.

  2. Gaussian or non-Gaussian logconductivity distribution at the MADE site: What is its impact on the breakthrough curve?

    PubMed

    Fiori, Aldo; Volpi, Elena; Zarlenga, Antonio; Bohling, Geoffrey C

    2015-08-01

    The impact of the logconductivity (Y=ln K) distribution fY on transport at the MADE site is analyzed. Our principal interest is in non-Gaussian fY characterized by heavier tails than the Gaussian. Both the logconductivity moments and fY itself are inferred, taking advantage of the detailed measurements of Bohling et al. (2012). The resulting logconductivity distribution displays heavier tails than the Gaussian, although the departure from Gaussianity is not significant. The effect of the logconductivity distribution on the breakthrough curve (BTC) is studied through an analytical, physically based model. It is found that the non-Gaussianity of the MADE logconductivity distribution does not strongly affect the BTC. Counterintuitively, assuming heavier tailed distributions for Y, with same variance, leads to BTCs which are more symmetrical than those for the Gaussian fY, with less pronounced preferential flow. Results indicate that the impact of strongly non-Gaussian, heavy tailed distributions on solute transport in heterogeneous porous formations can be significant, especially in the presence of high heterogeneity, resulting in reduced preferential flow and retarded peak arrivals. Copyright © 2015 Elsevier B.V. All rights reserved.

  3. Non-Gaussianity from isocurvature perturbations

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

    Kawasaki, Masahiro; Nakayama, Kazunori; Sekiguchi, Toyokazu

    2008-11-15

    We develop a formalism for studying non-Gaussianity in both curvature and isocurvature perturbations. It is shown that non-Gaussianity in the isocurvature perturbation between dark matter and photons leaves distinct signatures in the cosmic microwave background temperature fluctuations, which may be confirmed in future experiments, or possibly even in the currently available observational data. As an explicit example, we consider the quantum chromodynamics axion and show that it can actually induce sizable non-Gaussianity for the inflationary scale, H{sub inf} = O(10{sup 9}-10{sup 11}) GeV.

  4. Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals.

    PubMed

    Golze, Dorothea; Benedikter, Niels; Iannuzzi, Marcella; Wilhelm, Jan; Hutter, Jürg

    2017-01-21

    An integral scheme for the efficient evaluation of two-center integrals over contracted solid harmonic Gaussian functions is presented. Integral expressions are derived for local operators that depend on the position vector of one of the two Gaussian centers. These expressions are then used to derive the formula for three-index overlap integrals where two of the three Gaussians are located at the same center. The efficient evaluation of the latter is essential for local resolution-of-the-identity techniques that employ an overlap metric. We compare the performance of our integral scheme to the widely used Cartesian Gaussian-based method of Obara and Saika (OS). Non-local interaction potentials such as standard Coulomb, modified Coulomb, and Gaussian-type operators, which occur in range-separated hybrid functionals, are also included in the performance tests. The speed-up with respect to the OS scheme is up to three orders of magnitude for both integrals and their derivatives. In particular, our method is increasingly efficient for large angular momenta and highly contracted basis sets.

  5. Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals

    NASA Astrophysics Data System (ADS)

    Golze, Dorothea; Benedikter, Niels; Iannuzzi, Marcella; Wilhelm, Jan; Hutter, Jürg

    2017-01-01

    An integral scheme for the efficient evaluation of two-center integrals over contracted solid harmonic Gaussian functions is presented. Integral expressions are derived for local operators that depend on the position vector of one of the two Gaussian centers. These expressions are then used to derive the formula for three-index overlap integrals where two of the three Gaussians are located at the same center. The efficient evaluation of the latter is essential for local resolution-of-the-identity techniques that employ an overlap metric. We compare the performance of our integral scheme to the widely used Cartesian Gaussian-based method of Obara and Saika (OS). Non-local interaction potentials such as standard Coulomb, modified Coulomb, and Gaussian-type operators, which occur in range-separated hybrid functionals, are also included in the performance tests. The speed-up with respect to the OS scheme is up to three orders of magnitude for both integrals and their derivatives. In particular, our method is increasingly efficient for large angular momenta and highly contracted basis sets.

  6. Recent advances in scalable non-Gaussian geostatistics: The generalized sub-Gaussian model

    NASA Astrophysics Data System (ADS)

    Guadagnini, Alberto; Riva, Monica; Neuman, Shlomo P.

    2018-07-01

    Geostatistical analysis has been introduced over half a century ago to allow quantifying seemingly random spatial variations in earth quantities such as rock mineral content or permeability. The traditional approach has been to view such quantities as multivariate Gaussian random functions characterized by one or a few well-defined spatial correlation scales. There is, however, mounting evidence that many spatially varying quantities exhibit non-Gaussian behavior over a multiplicity of scales. The purpose of this minireview is not to paint a broad picture of the subject and its treatment in the literature. Instead, we focus on very recent advances in the recognition and analysis of this ubiquitous phenomenon, which transcends hydrology and the Earth sciences, brought about largely by our own work. In particular, we use porosity data from a deep borehole to illustrate typical aspects of such scalable non-Gaussian behavior, describe a very recent theoretical model that (for the first time) captures all these behavioral aspects in a comprehensive manner, show how this allows generating random realizations of the quantity conditional on sampled values, point toward ways of incorporating scalable non-Gaussian behavior in hydrologic analysis, highlight the significance of doing so, and list open questions requiring further research.

  7. Profitable capitation requires accurate costing.

    PubMed

    West, D A; Hicks, L L; Balas, E A; West, T D

    1996-01-01

    In the name of costing accuracy, nurses are asked to track inventory use on per treatment basis when more significant costs, such as general overhead and nursing salaries, are usually allocated to patients or treatments on an average cost basis. Accurate treatment costing and financial viability require analysis of all resources actually consumed in treatment delivery, including nursing services and inventory. More precise costing information enables more profitable decisions as is demonstrated by comparing the ratio-of-cost-to-treatment method (aggregate costing) with alternative activity-based costing methods (ABC). Nurses must participate in this costing process to assure that capitation bids are based upon accurate costs rather than simple averages.

  8. An accurate, compact and computationally efficient representation of orbitals for quantum Monte Carlo calculations

    NASA Astrophysics Data System (ADS)

    Luo, Ye; Esler, Kenneth; Kent, Paul; Shulenburger, Luke

    Quantum Monte Carlo (QMC) calculations of giant molecules, surface and defect properties of solids have been feasible recently due to drastically expanding computational resources. However, with the most computationally efficient basis set, B-splines, these calculations are severely restricted by the memory capacity of compute nodes. The B-spline coefficients are shared on a node but not distributed among nodes, to ensure fast evaluation. A hybrid representation which incorporates atomic orbitals near the ions and B-spline ones in the interstitial regions offers a more accurate and less memory demanding description of the orbitals because they are naturally more atomic like near ions and much smoother in between, thus allowing coarser B-spline grids. We will demonstrate the advantage of hybrid representation over pure B-spline and Gaussian basis sets and also show significant speed-up like computing the non-local pseudopotentials with our new scheme. Moreover, we discuss a new algorithm for atomic orbital initialization which used to require an extra workflow step taking a few days. With this work, the highly efficient hybrid representation paves the way to simulate large size even in-homogeneous systems using QMC. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Computational Materials Sciences Program.

  9. Hunting high and low: disentangling primordial and late-time non-Gaussianity with cosmic densities in spheres

    NASA Astrophysics Data System (ADS)

    Uhlemann, C.; Pajer, E.; Pichon, C.; Nishimichi, T.; Codis, S.; Bernardeau, F.

    2018-03-01

    Non-Gaussianities of dynamical origin are disentangled from primordial ones using the formalism of large deviation statistics with spherical collapse dynamics. This is achieved by relying on accurate analytical predictions for the one-point probability distribution function and the two-point clustering of spherically averaged cosmic densities (sphere bias). Sphere bias extends the idea of halo bias to intermediate density environments and voids as underdense regions. In the presence of primordial non-Gaussianity, sphere bias displays a strong scale dependence relevant for both high- and low-density regions, which is predicted analytically. The statistics of densities in spheres are built to model primordial non-Gaussianity via an initial skewness with a scale dependence that depends on the bispectrum of the underlying model. The analytical formulas with the measured non-linear dark matter variance as input are successfully tested against numerical simulations. For local non-Gaussianity with a range from fNL = -100 to +100, they are found to agree within 2 per cent or better for densities ρ ∈ [0.5, 3] in spheres of radius 15 Mpc h-1 down to z = 0.35. The validity of the large deviation statistics formalism is thereby established for all observationally relevant local-type departures from perfectly Gaussian initial conditions. The corresponding estimators for the amplitude of the non-linear variance σ8 and primordial skewness fNL are validated using a fiducial joint maximum likelihood experiment. The influence of observational effects and the prospects for a future detection of primordial non-Gaussianity from joint one- and two-point densities-in-spheres statistics are discussed.

  10. Gaussian mass optimization for kernel PCA parameters

    NASA Astrophysics Data System (ADS)

    Liu, Yong; Wang, Zulin

    2011-10-01

    This paper proposes a novel kernel parameter optimization method based on Gaussian mass, which aims to overcome the current brute force parameter optimization method in a heuristic way. Generally speaking, the choice of kernel parameter should be tightly related to the target objects while the variance between the samples, the most commonly used kernel parameter, doesn't possess much features of the target, which gives birth to Gaussian mass. Gaussian mass defined in this paper has the property of the invariance of rotation and translation and is capable of depicting the edge, topology and shape information. Simulation results show that Gaussian mass leads a promising heuristic optimization boost up for kernel method. In MNIST handwriting database, the recognition rate improves by 1.6% compared with common kernel method without Gaussian mass optimization. Several promising other directions which Gaussian mass might help are also proposed at the end of the paper.

  11. Comparison of Gaussian and non-Gaussian Atmospheric Profile Retrievals from Satellite Microwave Data

    NASA Astrophysics Data System (ADS)

    Kliewer, A.; Forsythe, J. M.; Fletcher, S. J.; Jones, A. S.

    2017-12-01

    The Cooperative Institute for Research in the Atmosphere at Colorado State University has recently developed two different versions of a mixed-distribution (lognormal combined with a Gaussian) based microwave temperature and mixing ratio retrieval system as well as the original Gaussian-based approach. These retrieval systems are based upon 1DVAR theory but have been adapted to use different descriptive statistics of the lognormal distribution to minimize the background errors. The input radiance data is from the AMSU-A and MHS instruments on the NOAA series of spacecraft. To help illustrate how the three retrievals are affected by the change in the distribution we are in the process of creating a new website to show the output from the different retrievals. Here we present initial results from different dynamical situations to show how the tool could be used by forecasters as well as for educators. However, as the new retrieved values are from a non-Gaussian based 1DVAR then they will display non-Gaussian behaviors that need to pass a quality control measure that is consistent with this distribution, and these new measures are presented here along with initial results for checking the retrievals.

  12. The best of both Reps—Diabatized Gaussians on adiabatic surfaces

    NASA Astrophysics Data System (ADS)

    Meek, Garrett A.; Levine, Benjamin G.

    2016-11-01

    When simulating nonadiabatic molecular dynamics, choosing an electronic representation requires consideration of well-known trade-offs. The uniqueness and spatially local couplings of the adiabatic representation come at the expense of an electronic wave function that changes discontinuously with nuclear motion and associated singularities in the nonadiabatic coupling matrix elements. The quasi-diabatic representation offers a smoothly varying wave function and finite couplings, but identification of a globally well-behaved quasi-diabatic representation is a system-specific challenge. In this work, we introduce the diabatized Gaussians on adiabatic surfaces (DGAS) approximation, a variant of the ab initio multiple spawning (AIMS) method that preserves the advantages of both electronic representations while avoiding their respective pitfalls. The DGAS wave function is expanded in a basis of vibronic functions that are continuous in both electronic and nuclear coordinates, but potentially discontinuous in time. Because the time-dependent Schrödinger equation contains only first-order derivatives with respect to time, singularities in the second-derivative nonadiabatic coupling terms (i.e., diagonal Born-Oppenheimer correction; DBOC) at conical intersections are rigorously absent, though singular time-derivative couplings remain. Interpolation of the electronic wave function allows the accurate prediction of population transfer probabilities even in the presence of the remaining singularities. We compare DGAS calculations of the dynamics of photoexcited ethene to AIMS calculations performed in the adiabatic representation, including the DBOC. The 28 fs excited state lifetime observed in DGAS simulations is considerably shorter than the 50 fs lifetime observed in the adiabatic simulations. The slower decay in the adiabatic representation is attributable to the large, repulsive DBOC in the neighborhood of conical intersections. These repulsive DBOC terms are artifacts

  13. Gaussian operations and privacy

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

    Navascues, Miguel; Acin, Antonio

    2005-07-15

    We consider the possibilities offered by Gaussian states and operations for two honest parties, Alice and Bob, to obtain privacy against a third eavesdropping party, Eve. We first extend the security analysis of the protocol proposed in [Navascues et al. Phys. Rev. Lett. 94, 010502 (2005)]. Then, we prove that a generalized version of this protocol does not allow one to distill a secret key out of bound entangled Gaussian states.

  14. Rao-Blackwellization for Adaptive Gaussian Sum Nonlinear Model Propagation

    NASA Technical Reports Server (NTRS)

    Semper, Sean R.; Crassidis, John L.; George, Jemin; Mukherjee, Siddharth; Singla, Puneet

    2015-01-01

    When dealing with imperfect data and general models of dynamic systems, the best estimate is always sought in the presence of uncertainty or unknown parameters. In many cases, as the first attempt, the Extended Kalman filter (EKF) provides sufficient solutions to handling issues arising from nonlinear and non-Gaussian estimation problems. But these issues may lead unacceptable performance and even divergence. In order to accurately capture the nonlinearities of most real-world dynamic systems, advanced filtering methods have been created to reduce filter divergence while enhancing performance. Approaches, such as Gaussian sum filtering, grid based Bayesian methods and particle filters are well-known examples of advanced methods used to represent and recursively reproduce an approximation to the state probability density function (pdf). Some of these filtering methods were conceptually developed years before their widespread uses were realized. Advanced nonlinear filtering methods currently benefit from the computing advancements in computational speeds, memory, and parallel processing. Grid based methods, multiple-model approaches and Gaussian sum filtering are numerical solutions that take advantage of different state coordinates or multiple-model methods that reduced the amount of approximations used. Choosing an efficient grid is very difficult for multi-dimensional state spaces, and oftentimes expensive computations must be done at each point. For the original Gaussian sum filter, a weighted sum of Gaussian density functions approximates the pdf but suffers at the update step for the individual component weight selections. In order to improve upon the original Gaussian sum filter, Ref. [2] introduces a weight update approach at the filter propagation stage instead of the measurement update stage. This weight update is performed by minimizing the integral square difference between the true forecast pdf and its Gaussian sum approximation. By adaptively updating

  15. New more accurate calculations of the ground state potential energy surface of H(3) (+).

    PubMed

    Pavanello, Michele; Tung, Wei-Cheng; Leonarski, Filip; Adamowicz, Ludwik

    2009-02-21

    Explicitly correlated Gaussian functions with floating centers have been employed to recalculate the ground state potential energy surface (PES) of the H(3) (+) ion with much higher accuracy than it was done before. The nonlinear parameters of the Gaussians (i.e., the exponents and the centers) have been variationally optimized with a procedure employing the analytical gradient of the energy with respect to these parameters. The basis sets for calculating new PES points were guessed from the points already calculated. This allowed us to considerably speed up the calculations and achieve very high accuracy of the results.

  16. Monogamy inequality for distributed gaussian entanglement.

    PubMed

    Hiroshima, Tohya; Adesso, Gerardo; Illuminati, Fabrizio

    2007-02-02

    We show that for all n-mode Gaussian states of continuous variable systems, the entanglement shared among n parties exhibits the fundamental monogamy property. The monogamy inequality is proven by introducing the Gaussian tangle, an entanglement monotone under Gaussian local operations and classical communication, which is defined in terms of the squared negativity in complete analogy with the case of n-qubit systems. Our results elucidate the structure of quantum correlations in many-body harmonic lattice systems.

  17. Significance of accurate diffraction corrections for the second harmonic wave in determining the acoustic nonlinearity parameter

    NASA Astrophysics Data System (ADS)

    Jeong, Hyunjo; Zhang, Shuzeng; Barnard, Dan; Li, Xiongbing

    2015-09-01

    The accurate measurement of acoustic nonlinearity parameter β for fluids or solids generally requires making corrections for diffraction effects due to finite size geometry of transmitter and receiver. These effects are well known in linear acoustics, while those for second harmonic waves have not been well addressed and therefore not properly considered in previous studies. In this work, we explicitly define the attenuation and diffraction corrections using the multi-Gaussian beam (MGB) equations which were developed from the quasilinear solutions of the KZK equation. The effects of making these corrections are examined through the simulation of β determination in water. Diffraction corrections are found to have more significant effects than attenuation corrections, and the β values of water can be estimated experimentally with less than 5% errors when the exact second harmonic diffraction corrections are used together with the negligible attenuation correction effects on the basis of linear frequency dependence between attenuation coefficients, α2 ≃ 2α1.

  18. On the characterization of flowering curves using Gaussian mixture models.

    PubMed

    Proïa, Frédéric; Pernet, Alix; Thouroude, Tatiana; Michel, Gilles; Clotault, Jérémy

    2016-08-07

    In this paper, we develop a statistical methodology applied to the characterization of flowering curves using Gaussian mixture models. Our study relies on a set of rosebushes flowering data, and Gaussian mixture models are mainly used to quantify the reblooming properties of each one. In this regard, we also suggest our own selection criterion to take into account the lack of symmetry of most of the flowering curves. Three classes are created on the basis of a principal component analysis conducted on a set of reblooming indicators, and a subclassification is made using a longitudinal k-means algorithm which also highlights the role played by the precocity of the flowering. In this way, we obtain an overview of the correlations between the features we decided to retain on each curve. In particular, results suggest the lack of correlation between reblooming and flowering precocity. The pertinent indicators obtained in this study will be a first step towards the comprehension of the environmental and genetic control of these biological processes. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Euler-euler anisotropic gaussian mesoscale simulation of homogeneous cluster-induced gas-particle turbulence

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

    Kong, Bo; Fox, Rodney O.; Feng, Heng

    An Euler–Euler anisotropic Gaussian approach (EE-AG) for simulating gas–particle flows, in which particle velocities are assumed to follow a multivariate anisotropic Gaussian distribution, is used to perform mesoscale simulations of homogeneous cluster-induced turbulence (CIT). A three-dimensional Gauss–Hermite quadrature formulation is used to calculate the kinetic flux for 10 velocity moments in a finite-volume framework. The particle-phase volume-fraction and momentum equations are coupled with the Eulerian solver for the gas phase. This approach is implemented in an open-source CFD package, OpenFOAM, and detailed simulation results are compared with previous Euler–Lagrange simulations in a domain size study of CIT. Here, these resultsmore » demonstrate that the proposed EE-AG methodology is able to produce comparable results to EL simulations, and this moment-based methodology can be used to perform accurate mesoscale simulations of dilute gas–particle flows.« less

  20. Euler-euler anisotropic gaussian mesoscale simulation of homogeneous cluster-induced gas-particle turbulence

    DOE PAGES

    Kong, Bo; Fox, Rodney O.; Feng, Heng; ...

    2017-02-16

    An Euler–Euler anisotropic Gaussian approach (EE-AG) for simulating gas–particle flows, in which particle velocities are assumed to follow a multivariate anisotropic Gaussian distribution, is used to perform mesoscale simulations of homogeneous cluster-induced turbulence (CIT). A three-dimensional Gauss–Hermite quadrature formulation is used to calculate the kinetic flux for 10 velocity moments in a finite-volume framework. The particle-phase volume-fraction and momentum equations are coupled with the Eulerian solver for the gas phase. This approach is implemented in an open-source CFD package, OpenFOAM, and detailed simulation results are compared with previous Euler–Lagrange simulations in a domain size study of CIT. Here, these resultsmore » demonstrate that the proposed EE-AG methodology is able to produce comparable results to EL simulations, and this moment-based methodology can be used to perform accurate mesoscale simulations of dilute gas–particle flows.« less

  1. Non-gaussianity versus nonlinearity of cosmological perturbations.

    PubMed

    Verde, L

    2001-06-01

    Following the discovery of the cosmic microwave background, the hot big-bang model has become the standard cosmological model. In this theory, small primordial fluctuations are subsequently amplified by gravity to form the large-scale structure seen today. Different theories for unified models of particle physics, lead to different predictions for the statistical properties of the primordial fluctuations, that can be divided in two classes: gaussian and non-gaussian. Convincing evidence against or for gaussian initial conditions would rule out many scenarios and point us toward a physical theory for the origin of structures. The statistical distribution of cosmological perturbations, as we observe them, can deviate from the gaussian distribution in several different ways. Even if perturbations start off gaussian, nonlinear gravitational evolution can introduce non-gaussian features. Additionally, our knowledge of the Universe comes principally from the study of luminous material such as galaxies, but galaxies might not be faithful tracers of the underlying mass distribution. The relationship between fluctuations in the mass and in the galaxies distribution (bias), is often assumed to be local, but could well be nonlinear. Moreover, galaxy catalogues use the redshift as third spatial coordinate: the resulting redshift-space map of the galaxy distribution is nonlinearly distorted by peculiar velocities. Nonlinear gravitational evolution, biasing, and redshift-space distortion introduce non-gaussianity, even in an initially gaussian fluctuation field. I investigate the statistical tools that allow us, in principle, to disentangle the above different effects, and the observational datasets we require to do so in practice.

  2. Second order Pseudo-gaussian shaper

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

    Beche, Jean-Francois

    2002-11-22

    The purpose of this document is to provide a calculus spreadsheet for the design of second-order pseudo-gaussian shapers. A very interesting reference is given by C.H. Mosher ''Pseudo-Gaussian Transfer Functions with Superlative Recovery'', IEEE TNS Volume 23, p. 226-228 (1976). Fred Goulding and Don Landis have studied the structure of those filters and their implementation and this document will outline the calculation leading to the relation between the coefficients of the filter. The general equation of the second order pseudo-gaussian filter is: f(t) = P{sub 0} {center_dot} e{sup -3kt} {center_dot} sin{sup 2}(kt). The parameter k is a normalization factor.

  3. Modeling Sea-Level Change using Errors-in-Variables Integrated Gaussian Processes

    NASA Astrophysics Data System (ADS)

    Cahill, Niamh; Parnell, Andrew; Kemp, Andrew; Horton, Benjamin

    2014-05-01

    We perform Bayesian inference on historical and late Holocene (last 2000 years) rates of sea-level change. The data that form the input to our model are tide-gauge measurements and proxy reconstructions from cores of coastal sediment. To accurately estimate rates of sea-level change and reliably compare tide-gauge compilations with proxy reconstructions it is necessary to account for the uncertainties that characterize each dataset. Many previous studies used simple linear regression models (most commonly polynomial regression) resulting in overly precise rate estimates. The model we propose uses an integrated Gaussian process approach, where a Gaussian process prior is placed on the rate of sea-level change and the data itself is modeled as the integral of this rate process. The non-parametric Gaussian process model is known to be well suited to modeling time series data. The advantage of using an integrated Gaussian process is that it allows for the direct estimation of the derivative of a one dimensional curve. The derivative at a particular time point will be representative of the rate of sea level change at that time point. The tide gauge and proxy data are complicated by multiple sources of uncertainty, some of which arise as part of the data collection exercise. Most notably, the proxy reconstructions include temporal uncertainty from dating of the sediment core using techniques such as radiocarbon. As a result of this, the integrated Gaussian process model is set in an errors-in-variables (EIV) framework so as to take account of this temporal uncertainty. The data must be corrected for land-level change known as glacio-isostatic adjustment (GIA) as it is important to isolate the climate-related sea-level signal. The correction for GIA introduces covariance between individual age and sea level observations into the model. The proposed integrated Gaussian process model allows for the estimation of instantaneous rates of sea-level change and accounts for all

  4. Efficient method for computing the maximum-likelihood quantum state from measurements with additive Gaussian noise.

    PubMed

    Smolin, John A; Gambetta, Jay M; Smith, Graeme

    2012-02-17

    We provide an efficient method for computing the maximum-likelihood mixed quantum state (with density matrix ρ) given a set of measurement outcomes in a complete orthonormal operator basis subject to Gaussian noise. Our method works by first changing basis yielding a candidate density matrix μ which may have nonphysical (negative) eigenvalues, and then finding the nearest physical state under the 2-norm. Our algorithm takes at worst O(d(4)) for the basis change plus O(d(3)) for finding ρ where d is the dimension of the quantum state. In the special case where the measurement basis is strings of Pauli operators, the basis change takes only O(d(3)) as well. The workhorse of the algorithm is a new linear-time method for finding the closest probability distribution (in Euclidean distance) to a set of real numbers summing to one.

  5. Information geometry of Gaussian channels

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

    Monras, Alex; CNR-INFM Coherentia, Napoli; CNISM Unita di Salerno

    2010-06-15

    We define a local Riemannian metric tensor in the manifold of Gaussian channels and the distance that it induces. We adopt an information-geometric approach and define a metric derived from the Bures-Fisher metric for quantum states. The resulting metric inherits several desirable properties from the Bures-Fisher metric and is operationally motivated by distinguishability considerations: It serves as an upper bound to the attainable quantum Fisher information for the channel parameters using Gaussian states, under generic constraints on the physically available resources. Our approach naturally includes the use of entangled Gaussian probe states. We prove that the metric enjoys some desirablemore » properties like stability and covariance. As a by-product, we also obtain some general results in Gaussian channel estimation that are the continuous-variable analogs of previously known results in finite dimensions. We prove that optimal probe states are always pure and bounded in the number of ancillary modes, even in the presence of constraints on the reduced state input in the channel. This has experimental and computational implications. It limits the complexity of optimal experimental setups for channel estimation and reduces the computational requirements for the evaluation of the metric: Indeed, we construct a converging algorithm for its computation. We provide explicit formulas for computing the multiparametric quantum Fisher information for dissipative channels probed with arbitrary Gaussian states and provide the optimal observables for the estimation of the channel parameters (e.g., bath couplings, squeezing, and temperature).« less

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

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

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

    2016-03-01

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

  7. Multivariate Bayesian analysis of Gaussian, right censored Gaussian, ordered categorical and binary traits using Gibbs sampling

    PubMed Central

    Korsgaard, Inge Riis; Lund, Mogens Sandø; Sorensen, Daniel; Gianola, Daniel; Madsen, Per; Jensen, Just

    2003-01-01

    A fully Bayesian analysis using Gibbs sampling and data augmentation in a multivariate model of Gaussian, right censored, and grouped Gaussian traits is described. The grouped Gaussian traits are either ordered categorical traits (with more than two categories) or binary traits, where the grouping is determined via thresholds on the underlying Gaussian scale, the liability scale. Allowances are made for unequal models, unknown covariance matrices and missing data. Having outlined the theory, strategies for implementation are reviewed. These include joint sampling of location parameters; efficient sampling from the fully conditional posterior distribution of augmented data, a multivariate truncated normal distribution; and sampling from the conditional inverse Wishart distribution, the fully conditional posterior distribution of the residual covariance matrix. Finally, a simulated dataset was analysed to illustrate the methodology. This paper concentrates on a model where residuals associated with liabilities of the binary traits are assumed to be independent. A Bayesian analysis using Gibbs sampling is outlined for the model where this assumption is relaxed. PMID:12633531

  8. Elegant Gaussian beams for enhanced optical manipulation

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

    Alpmann, Christina, E-mail: c.alpmann@uni-muenster.de; Schöler, Christoph; Denz, Cornelia

    2015-06-15

    Generation of micro- and nanostructured complex light beams attains increasing impact in photonics and laser applications. In this contribution, we demonstrate the implementation and experimental realization of the relatively unknown, but highly versatile class of complex-valued Elegant Hermite- and Laguerre-Gaussian beams. These beams create higher trapping forces compared to standard Gaussian light fields due to their propagation changing properties. We demonstrate optical trapping and alignment of complex functional particles as nanocontainers with standard and Elegant Gaussian light beams. Elegant Gaussian beams will inspire manifold applications in optical manipulation, direct laser writing, or microscopy, where the design of the point-spread functionmore » is relevant.« less

  9. Hyperpolarizability of H 2O revisited: accurate estimate of the basis set limit and the size of electron correlation effects

    NASA Astrophysics Data System (ADS)

    Maroulis, George

    1998-06-01

    A large (18s 13p 8d 5f / 12s 7p 3d 2f) basis set consisting of 256 uncontracted gaussian-type functions is expected to yield values near the Hartree-Fock limit for the static hyperpolarizability of H 2O: βzxx=-9.40, βzyy=-1.35, βzzz=-7.71 and β¯=-11.07 for βαβγ ( e3a03Eh-2) and γxxxx=569, γyyyy=1422, γzzzz=907, γxxyy=338, γyyzz=389, γzzxx=287 and γ¯=985 for γαβγδ ( e4a04Eh-3) at the experimental equilibrium geometry (with z as the C 2 axis, molecule on the xz plane). The respective electron correlation corrections obtained with the single, double and perturbatively linked triple excitations coupled-cluster method and a [9s 6p 6d 3f / 6s 4p 2d 1f] basis set are βzxx=-0.45, βzyy=-4.19, βzzz=-6.09, β¯=-6.44 and γxxxx=267, γyyyy=1228, γzzzz=574, γxxyy=295, γyyzz=322, γzzxx=152, γ¯=721 . For the static limit we propose β¯=-17.5±0.3 e3a03Eh-2 and γ¯=(171±6)×10 1e4a04Eh-3, in near agreement with the experimental findings of β¯=-19.2±0.9 e3a03Eh-2 and γ¯=1800±150 e4a04Eh-3 deduced from EFISH measurements at 1064 nm by Kaatz et al. [P. Kaatz, E.A. Donley, D.P. Shelton, J. Chem. Phys. 108 (1998) 849].

  10. Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description

    NASA Astrophysics Data System (ADS)

    Bauer, Sebastian; Mathias, Gerald; Tavan, Paul

    2014-03-01

    We present a reaction field (RF) method which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of an electrostatics calculation with polarizable molecular mechanics (MM) force fields. The method combines an approach originally suggested by Egwolf and Tavan [J. Chem. Phys. 118, 2039 (2003)] with concepts generalizing the Born solution [Z. Phys. 1, 45 (1920)] for a solvated ion. First, we derive an exact representation according to which the sources of the RF potential and energy are inducible atomic anti-polarization densities and atomic shielding charge distributions. Modeling these atomic densities by Gaussians leads to an approximate representation. Here, the strengths of the Gaussian shielding charge distributions are directly given in terms of the static partial charges as defined, e.g., by standard MM force fields for the various atom types, whereas the strengths of the Gaussian anti-polarization densities are calculated by a self-consistency iteration. The atomic volumes are also described by Gaussians. To account for covalently overlapping atoms, their effective volumes are calculated by another self-consistency procedure, which guarantees that the dielectric function ɛ(r) is close to one everywhere inside the protein. The Gaussian widths σi of the atoms i are parameters of the RF approximation. The remarkable accuracy of the method is demonstrated by comparison with Kirkwood's analytical solution for a spherical protein [J. Chem. Phys. 2, 351 (1934)] and with computationally expensive grid-based numerical solutions for simple model systems in dielectric continua including a di-peptide (Ac-Ala-NHMe) as modeled by a standard MM force field. The latter example shows how weakly the RF conformational free energy landscape depends on the parameters σi. A summarizing discussion highlights the achievements of the new theory and of its approximate solution particularly by

  11. Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description.

    PubMed

    Bauer, Sebastian; Mathias, Gerald; Tavan, Paul

    2014-03-14

    We present a reaction field (RF) method which accurately solves the Poisson equation for proteins embedded in dielectric solvent continua at a computational effort comparable to that of an electrostatics calculation with polarizable molecular mechanics (MM) force fields. The method combines an approach originally suggested by Egwolf and Tavan [J. Chem. Phys. 118, 2039 (2003)] with concepts generalizing the Born solution [Z. Phys. 1, 45 (1920)] for a solvated ion. First, we derive an exact representation according to which the sources of the RF potential and energy are inducible atomic anti-polarization densities and atomic shielding charge distributions. Modeling these atomic densities by Gaussians leads to an approximate representation. Here, the strengths of the Gaussian shielding charge distributions are directly given in terms of the static partial charges as defined, e.g., by standard MM force fields for the various atom types, whereas the strengths of the Gaussian anti-polarization densities are calculated by a self-consistency iteration. The atomic volumes are also described by Gaussians. To account for covalently overlapping atoms, their effective volumes are calculated by another self-consistency procedure, which guarantees that the dielectric function ε(r) is close to one everywhere inside the protein. The Gaussian widths σ(i) of the atoms i are parameters of the RF approximation. The remarkable accuracy of the method is demonstrated by comparison with Kirkwood's analytical solution for a spherical protein [J. Chem. Phys. 2, 351 (1934)] and with computationally expensive grid-based numerical solutions for simple model systems in dielectric continua including a di-peptide (Ac-Ala-NHMe) as modeled by a standard MM force field. The latter example shows how weakly the RF conformational free energy landscape depends on the parameters σ(i). A summarizing discussion highlights the achievements of the new theory and of its approximate solution particularly by

  12. Orthogonal Gaussian process models

    DOE PAGES

    Plumlee, Matthew; Joseph, V. Roshan

    2017-01-01

    Gaussian processes models are widely adopted for nonparameteric/semi-parametric modeling. Identifiability issues occur when the mean model contains polynomials with unknown coefficients. Though resulting prediction is unaffected, this leads to poor estimation of the coefficients in the mean model, and thus the estimated mean model loses interpretability. This paper introduces a new Gaussian process model whose stochastic part is orthogonal to the mean part to address this issue. As a result, this paper also discusses applications to multi-fidelity simulations using data examples.

  13. Orthogonal Gaussian process models

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

    Plumlee, Matthew; Joseph, V. Roshan

    Gaussian processes models are widely adopted for nonparameteric/semi-parametric modeling. Identifiability issues occur when the mean model contains polynomials with unknown coefficients. Though resulting prediction is unaffected, this leads to poor estimation of the coefficients in the mean model, and thus the estimated mean model loses interpretability. This paper introduces a new Gaussian process model whose stochastic part is orthogonal to the mean part to address this issue. As a result, this paper also discusses applications to multi-fidelity simulations using data examples.

  14. Designing Multi-target Compound Libraries with Gaussian Process Models.

    PubMed

    Bieler, Michael; Reutlinger, Michael; Rodrigues, Tiago; Schneider, Petra; Kriegl, Jan M; Schneider, Gisbert

    2016-05-01

    We present the application of machine learning models to selecting G protein-coupled receptor (GPCR)-focused compound libraries. The library design process was realized by ant colony optimization. A proprietary Boehringer-Ingelheim reference set consisting of 3519 compounds tested in dose-response assays at 11 GPCR targets served as training data for machine learning and activity prediction. We compared the usability of the proprietary data with a public data set from ChEMBL. Gaussian process models were trained to prioritize compounds from a virtual combinatorial library. We obtained meaningful models for three of the targets (5-HT2c , MCH, A1), which were experimentally confirmed for 12 of 15 selected and synthesized or purchased compounds. Overall, the models trained on the public data predicted the observed assay results more accurately. The results of this study motivate the use of Gaussian process regression on public data for virtual screening and target-focused compound library design. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution Non-Commercial NoDerivs License, which permits use and distribution in any medium, provided the original work is properly cited, the use is non-commercial and no modifications or adaptations are made.

  15. Distillation and purification of symmetric entangled Gaussian states

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

    Fiurasek, Jaromir

    2010-10-15

    We propose an entanglement distillation and purification scheme for symmetric two-mode entangled Gaussian states that allows to asymptotically extract a pure entangled Gaussian state from any input entangled symmetric Gaussian state. The proposed scheme is a modified and extended version of the entanglement distillation protocol originally developed by Browne et al. [Phys. Rev. A 67, 062320 (2003)]. A key feature of the present protocol is that it utilizes a two-copy degaussification procedure that involves a Mach-Zehnder interferometer with single-mode non-Gaussian filters inserted in its two arms. The required non-Gaussian filtering operations can be implemented by coherently combining two sequences ofmore » single-photon addition and subtraction operations.« less

  16. Stochastic differential calculus for Gaussian and non-Gaussian noises: A critical review

    NASA Astrophysics Data System (ADS)

    Falsone, G.

    2018-03-01

    In this paper a review of the literature works devoted to the study of stochastic differential equations (SDEs) subjected to Gaussian and non-Gaussian white noises and to fractional Brownian noises is given. In these cases, particular attention must be paid in treating the SDEs because the classical rules of the differential calculus, as the Newton-Leibnitz one, cannot be applied or are applicable with many difficulties. Here all the principal approaches solving the SDEs are reported for any kind of noise, highlighting the negative and positive properties of each one and making the comparisons, where it is possible.

  17. Gaussian memory in kinematic matrix theory for self-propellers.

    PubMed

    Nourhani, Amir; Crespi, Vincent H; Lammert, Paul E

    2014-12-01

    We extend the kinematic matrix ("kinematrix") formalism [Phys. Rev. E 89, 062304 (2014)], which via simple matrix algebra accesses ensemble properties of self-propellers influenced by uncorrelated noise, to treat Gaussian correlated noises. This extension brings into reach many real-world biological and biomimetic self-propellers for which inertia is significant. Applying the formalism, we analyze in detail ensemble behaviors of a 2D self-propeller with velocity fluctuations and orientation evolution driven by an Ornstein-Uhlenbeck process. On the basis of exact results, a variety of dynamical regimes determined by the inertial, speed-fluctuation, orientational diffusion, and emergent disorientation time scales are delineated and discussed.

  18. Propagation of elliptic-Gaussian beams in strongly nonlocal nonlinear media

    NASA Astrophysics Data System (ADS)

    Deng, Dongmei; Guo, Qi

    2011-10-01

    The propagation of the elliptic-Gaussian beams is studied in strongly nonlocal nonlinear media. The elliptic-Gaussian beams and elliptic-Gaussian vortex beams are obtained analytically and numerically. The patterns of the elegant Ince-Gaussian and the generalized Ince-Gaussian beams are varied periodically when the input power is equal to the critical power. The stability is verified by perturbing the initial beam by noise. By simulating the propagation of the elliptic-Gaussian beams in liquid crystal, we find that when the mode order is not big enough, there exists the quasi-elliptic-Gaussian soliton states.

  19. The application of Gaussian mixture models for signal quantification in MALDI-TOF mass spectrometry of peptides.

    PubMed

    Spainhour, John Christian G; Janech, Michael G; Schwacke, John H; Velez, Juan Carlos Q; Ramakrishnan, Viswanathan

    2014-01-01

    Matrix assisted laser desorption/ionization time-of-flight (MALDI-TOF) coupled with stable isotope standards (SIS) has been used to quantify native peptides. This peptide quantification by MALDI-TOF approach has difficulties quantifying samples containing peptides with ion currents in overlapping spectra. In these overlapping spectra the currents sum together, which modify the peak heights and make normal SIS estimation problematic. An approach using Gaussian mixtures based on known physical constants to model the isotopic cluster of a known compound is proposed here. The characteristics of this approach are examined for single and overlapping compounds. The approach is compared to two commonly used SIS quantification methods for single compound, namely Peak Intensity method and Riemann sum area under the curve (AUC) method. For studying the characteristics of the Gaussian mixture method, Angiotensin II, Angiotensin-2-10, and Angiotenisn-1-9 and their associated SIS peptides were used. The findings suggest, Gaussian mixture method has similar characteristics as the two methods compared for estimating the quantity of isolated isotopic clusters for single compounds. All three methods were tested using MALDI-TOF mass spectra collected for peptides of the renin-angiotensin system. The Gaussian mixture method accurately estimated the native to labeled ratio of several isolated angiotensin peptides (5.2% error in ratio estimation) with similar estimation errors to those calculated using peak intensity and Riemann sum AUC methods (5.9% and 7.7%, respectively). For overlapping angiotensin peptides, (where the other two methods are not applicable) the estimation error of the Gaussian mixture was 6.8%, which is within the acceptable range. In summary, for single compounds the Gaussian mixture method is equivalent or marginally superior compared to the existing methods of peptide quantification and is capable of quantifying overlapping (convolved) peptides within the

  20. A Gaussian Processes Technique for Short-term Load Forecasting with Considerations of Uncertainty

    NASA Astrophysics Data System (ADS)

    Ohmi, Masataro; Mori, Hiroyuki

    In this paper, an efficient method is proposed to deal with short-term load forecasting with the Gaussian Processes. Short-term load forecasting plays a key role to smooth power system operation such as economic load dispatching, unit commitment, etc. Recently, the deregulated and competitive power market increases the degree of uncertainty. As a result, it is more important to obtain better prediction results to save the cost. One of the most important aspects is that power system operator needs the upper and lower bounds of the predicted load to deal with the uncertainty while they require more accurate predicted values. The proposed method is based on the Bayes model in which output is expressed in a distribution rather than a point. To realize the model efficiently, this paper proposes the Gaussian Processes that consists of the Bayes linear model and kernel machine to obtain the distribution of the predicted value. The proposed method is successively applied to real data of daily maximum load forecasting.

  1. Gaussian-Beam Laser-Resonator Program

    NASA Technical Reports Server (NTRS)

    Cross, Patricia L.; Bair, Clayton H.; Barnes, Norman

    1989-01-01

    Gaussian Beam Laser Resonator Program models laser resonators by use of Gaussian-beam-propagation techniques. Used to determine radii of beams as functions of position in laser resonators. Algorithm used in program has three major components. First, ray-transfer matrix for laser resonator must be calculated. Next, initial parameters of beam calculated. Finally, propagation of beam through optical elements computed. Written in Microsoft FORTRAN (Version 4.01).

  2. Gaussian maximally multipartite-entangled states

    NASA Astrophysics Data System (ADS)

    Facchi, Paolo; Florio, Giuseppe; Lupo, Cosmo; Mancini, Stefano; Pascazio, Saverio

    2009-12-01

    We study maximally multipartite-entangled states in the context of Gaussian continuous variable quantum systems. By considering multimode Gaussian states with constrained energy, we show that perfect maximally multipartite-entangled states, which exhibit the maximum amount of bipartite entanglement for all bipartitions, only exist for systems containing n=2 or 3 modes. We further numerically investigate the structure of these states and their frustration for n≤7 .

  3. Loop corrections to primordial non-Gaussianity

    NASA Astrophysics Data System (ADS)

    Boran, Sibel; Kahya, E. O.

    2018-02-01

    We discuss quantum gravitational loop effects to observable quantities such as curvature power spectrum and primordial non-Gaussianity of cosmic microwave background (CMB) radiation. We first review the previously shown case where one gets a time dependence for zeta-zeta correlator due to loop corrections. Then we investigate the effect of loop corrections to primordial non-Gaussianity of CMB. We conclude that, even with a single scalar inflaton, one might get a huge value for non-Gaussianity which would exceed the observed value by at least 30 orders of magnitude. Finally we discuss the consequences of this result for scalar driven inflationary models.

  4. Variational Gaussian approximation for Poisson data

    NASA Astrophysics Data System (ADS)

    Arridge, Simon R.; Ito, Kazufumi; Jin, Bangti; Zhang, Chen

    2018-02-01

    The Poisson model is frequently employed to describe count data, but in a Bayesian context it leads to an analytically intractable posterior probability distribution. In this work, we analyze a variational Gaussian approximation to the posterior distribution arising from the Poisson model with a Gaussian prior. This is achieved by seeking an optimal Gaussian distribution minimizing the Kullback-Leibler divergence from the posterior distribution to the approximation, or equivalently maximizing the lower bound for the model evidence. We derive an explicit expression for the lower bound, and show the existence and uniqueness of the optimal Gaussian approximation. The lower bound functional can be viewed as a variant of classical Tikhonov regularization that penalizes also the covariance. Then we develop an efficient alternating direction maximization algorithm for solving the optimization problem, and analyze its convergence. We discuss strategies for reducing the computational complexity via low rank structure of the forward operator and the sparsity of the covariance. Further, as an application of the lower bound, we discuss hierarchical Bayesian modeling for selecting the hyperparameter in the prior distribution, and propose a monotonically convergent algorithm for determining the hyperparameter. We present extensive numerical experiments to illustrate the Gaussian approximation and the algorithms.

  5. Accurate Determination of the Values of Fundamental Physical Constants: The Basis of the New "Quantum" SI Units

    NASA Astrophysics Data System (ADS)

    Karshenboim, S. G.

    2018-03-01

    The metric system appeared as the system of units designed for macroscopic (laboratory scale) measurements. The progress in accurate determination of the values of quantum constants (such as the Planck constant) in SI units shows that the capabilities in high-precision measurement of microscopic and macroscopic quantities in terms of the same units have increased substantially recently. At the same time, relative microscopic measurements (for example, the comparison of atomic transition frequencies or atomic masses) are often much more accurate than relative measurements of macroscopic quantities. This is the basis for the strategy to define units in microscopic phenomena and then use them on the laboratory scale, which plays a crucial role in practical methodological applications determined by everyday life and technologies. The international CODATA task group on fundamental constants regularly performs an overall analysis of the precision world data (the so-called Adjustment of the Fundamental Constants) and publishes their recommended values. The most recent evaluation was based on the data published by the end of 2014; here, we review the corresponding data and results. The accuracy in determination of the Boltzmann constant has increased, the consistency of the data on determination of the Planck constant has improved; it is these two dimensional constants that will be used in near future as the basis for the new definition of the kelvin and kilogram, respectively. The contradictions in determination of the Rydberg constant and the proton charge radius remain. The accuracy of determination of the fine structure constant and relative atomic weight of the electron has improved. Overall, we give a detailed review of the state of the art in precision determination of the values of fundamental constants. The mathematical procedure of the Adjustment, the new data and results are considered in detail. The limitations due to macroscopic properties of material

  6. Large-scale velocities and primordial non-Gaussianity

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

    Schmidt, Fabian

    2010-09-15

    We study the peculiar velocities of density peaks in the presence of primordial non-Gaussianity. Rare, high-density peaks in the initial density field can be identified with tracers such as galaxies and clusters in the evolved matter distribution. The distribution of relative velocities of peaks is derived in the large-scale limit using two different approaches based on a local biasing scheme. Both approaches agree, and show that halos still stream with the dark matter locally as well as statistically, i.e. they do not acquire a velocity bias. Nonetheless, even a moderate degree of (not necessarily local) non-Gaussianity induces a significant skewnessmore » ({approx}0.1-0.2) in the relative velocity distribution, making it a potentially interesting probe of non-Gaussianity on intermediate to large scales. We also study two-point correlations in redshift space. The well-known Kaiser formula is still a good approximation on large scales, if the Gaussian halo bias is replaced with its (scale-dependent) non-Gaussian generalization. However, there are additional terms not encompassed by this simple formula which become relevant on smaller scales (k > or approx. 0.01h/Mpc). Depending on the allowed level of non-Gaussianity, these could be of relevance for future large spectroscopic surveys.« less

  7. A Gaussian wave packet phase-space representation of quantum canonical statistics

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

    Coughtrie, David J.; Tew, David P.

    2015-07-28

    We present a mapping of quantum canonical statistical averages onto a phase-space average over thawed Gaussian wave-packet (GWP) parameters, which is exact for harmonic systems at all temperatures. The mapping invokes an effective potential surface, experienced by the wave packets, and a temperature-dependent phase-space integrand, to correctly transition from the GWP average at low temperature to classical statistics at high temperature. Numerical tests on weakly and strongly anharmonic model systems demonstrate that thermal averages of the system energy and geometric properties are accurate to within 1% of the exact quantum values at all temperatures.

  8. Accurate bond energies of hydrocarbons from complete basis set extrapolated multi-reference singles and doubles configuration interaction.

    PubMed

    Oyeyemi, Victor B; Pavone, Michele; Carter, Emily A

    2011-12-09

    Quantum chemistry has become one of the most reliable tools for characterizing the thermochemical underpinnings of reactions, such as bond dissociation energies (BDEs). The accurate prediction of these particular properties (BDEs) are challenging for ab initio methods based on perturbative corrections or coupled cluster expansions of the single-determinant Hartree-Fock wave function: the processes of bond breaking and forming are inherently multi-configurational and require an accurate description of non-dynamical electron correlation. To this end, we present a systematic ab initio approach for computing BDEs that is based on three components: 1) multi-reference single and double excitation configuration interaction (MRSDCI) for the electronic energies; 2) a two-parameter scheme for extrapolating MRSDCI energies to the complete basis set limit; and 3) DFT-B3LYP calculations of minimum-energy structures and vibrational frequencies to account for zero point energy and thermal corrections. We validated our methodology against a set of reliable experimental BDE values of CC and CH bonds of hydrocarbons. The goal of chemical accuracy is achieved, on average, without applying any empirical corrections to the MRSDCI electronic energies. We then use this composite scheme to make predictions of BDEs in a large number of hydrocarbon molecules for which there are no experimental data, so as to provide needed thermochemical estimates for fuel molecules. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Local Gaussian operations can enhance continuous-variable entanglement distillation

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

    Zhang Shengli; Loock, Peter van; Institute of Theoretical Physics I, Universitaet Erlangen-Nuernberg, Staudtstrasse 7/B2, DE-91058 Erlangen

    2011-12-15

    Entanglement distillation is a fundamental building block in long-distance quantum communication. Though known to be useless on their own for distilling Gaussian entangled states, local Gaussian operations may still help to improve non-Gaussian entanglement distillation schemes. Here we show that by applying local squeezing operations both the performance and the efficiency of existing distillation protocols can be enhanced. We find that such an enhancement through local Gaussian unitaries can be obtained even when the initially shared Gaussian entangled states are mixed, as, for instance, after their distribution through a lossy-fiber communication channel.

  10. Gaussian ancillary bombardment

    NASA Astrophysics Data System (ADS)

    Grimmer, Daniel; Brown, Eric; Kempf, Achim; Mann, Robert B.; Martín-Martínez, Eduardo

    2018-05-01

    We analyze in full detail the time evolution of an open Gaussian quantum system rapidly bombarded by Gaussian ancillae. As a particular case this analysis covers the thermalization (or not) of a harmonic oscillator coupled to a thermal reservoir made of harmonic oscillators. We derive general results for this scenario and apply them to the problem of thermalization. We show that only a particular family of system-environment couplings will cause the system to thermalize to the temperature of its environment. We discuss that if we want to understand thermalization as ensuing from the Markovian interaction of a system with the individual microconstituents of its (thermal) environment then the process of thermalization is not as robust as one might expect.

  11. GaussianCpG: a Gaussian model for detection of CpG island in human genome sequences.

    PubMed

    Yu, Ning; Guo, Xuan; Zelikovsky, Alexander; Pan, Yi

    2017-05-24

    As crucial markers in identifying biological elements and processes in mammalian genomes, CpG islands (CGI) play important roles in DNA methylation, gene regulation, epigenetic inheritance, gene mutation, chromosome inactivation and nuclesome retention. The generally accepted criteria of CGI rely on: (a) %G+C content is ≥ 50%, (b) the ratio of the observed CpG content and the expected CpG content is ≥ 0.6, and (c) the general length of CGI is greater than 200 nucleotides. Most existing computational methods for the prediction of CpG island are programmed on these rules. However, many experimentally verified CpG islands deviate from these artificial criteria. Experiments indicate that in many cases %G+C is < 50%, CpG obs /CpG exp varies, and the length of CGI ranges from eight nucleotides to a few thousand of nucleotides. It implies that CGI detection is not just a straightly statistical task and some unrevealed rules probably are hidden. A novel Gaussian model, GaussianCpG, is developed for detection of CpG islands on human genome. We analyze the energy distribution over genomic primary structure for each CpG site and adopt the parameters from statistics of Human genome. The evaluation results show that the new model can predict CpG islands efficiently by balancing both sensitivity and specificity over known human CGI data sets. Compared with other models, GaussianCpG can achieve better performance in CGI detection. Our Gaussian model aims to simplify the complex interaction between nucleotides. The model is computed not by the linear statistical method but by the Gaussian energy distribution and accumulation. The parameters of Gaussian function are not arbitrarily designated but deliberately chosen by optimizing the biological statistics. By using the pseudopotential analysis on CpG islands, the novel model is validated on both the real and artificial data sets.

  12. NGMIX: Gaussian mixture models for 2D images

    NASA Astrophysics Data System (ADS)

    Sheldon, Erin

    2015-08-01

    NGMIX implements Gaussian mixture models for 2D images. Both the PSF profile and the galaxy are modeled using mixtures of Gaussians. Convolutions are thus performed analytically, resulting in fast model generation as compared to methods that perform the convolution in Fourier space. For the galaxy model, NGMIX supports exponential disks and de Vaucouleurs and Sérsic profiles; these are implemented approximately as a sum of Gaussians using the fits from Hogg & Lang (2013). Additionally, any number of Gaussians can be fit, either completely free or constrained to be cocentric and co-elliptical.

  13. Acoustic radiation force on a multilayered sphere in a Gaussian standing field

    NASA Astrophysics Data System (ADS)

    Wang, Haibin; Liu, Xiaozhou; Gao, Sha; Cui, Jun; Liu, Jiehui; He, Aijun; Zhang, Gutian

    2018-03-01

    We develop a model for calculating the radiation force on spherically symmetric multilayered particles based on the acoustic scattering approach. An expression is derived for the radiation force on a multilayered sphere centered on the axis of a Gaussian standing wave propagating in an ideal fluid. The effects of the sound absorption of the materials and sound wave on acoustic radiation force of a multilayered sphere immersed in water are analyzed, with particular emphasis on the shell thickness of every layer, and the width of the Gaussian beam. The results reveal that the existence of particle trapping behavior depends on the choice of the non-dimensional frequency ka, as well as the shell thickness of each layer. This study provides a theoretical basis for the development of acoustical tweezers in a Gaussian standing wave, which may benefit the improvement and development of acoustic control technology, such as trapping, sorting, and assembling a cell, and drug delivery applications. Project supported by National Key R&D Program (Grant No. 2016YFF0203000), the National Natural Science Foundation of China (Grant Nos. 11774167 and 61571222), the Fundamental Research Funds for the Central Universities of China (Grant No. 020414380001), the Key Laboratory of Underwater Acoustic Environment, Institute of Acoustics, Chinese Academy of Sciences (Grant No. SSHJ-KFKT-1701), and the AQSIQ Technology R&D Program of China (Grant No. 2017QK125).

  14. Development and modification of a Gaussian and non-Gaussian noise exposure system

    NASA Astrophysics Data System (ADS)

    Schlag, Adam W.

    Millions of people across the world currently have noise induced hearing loss, and many are working in conditions with both continuous Gaussian and non-Gaussian noises that could affect their hearing. It was hypothesized that the energy of the noise was the cause of the hearing loss and did not depend on temporal pattern of a noise. This was referred to as the equal energy hypothesis. This hypothesis has been shown to have limitations though. This means that there is a difference in the types of noise a person receives to induce hearing loss and it is necessary to build a system that can easily mimic various conditions to conduct research. This study builds a system that can produce both non-Gaussian impulse/impact noises and continuous Gaussian noise. It was found that the peak sound pressure level of the system could reach well above the needed 120 dB level to represent acoustic trauma and could replicate well above the 85 dB A-weighted sound pressure level to produce conditions of gradual developing hearing loss. The system reached a maximum of 150 dB sound peak pressure level and a maximum of 133 dB A-weighted sound pressure level. Various parameters could easily be adjusted to control the sound, such as the high and low cutoff frequency to center the sound at 4 kHz. The system build can easily be adjusted to create numerous sound conditions and will hopefully be modified and improved in hopes of eventually being used for animal studies to lead to the creation of a method to treat or prevent noise induced hearing loss.

  15. Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials.

    PubMed

    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.

  16. Super-resolving random-Gaussian apodized photon sieve.

    PubMed

    Sabatyan, Arash; Roshaninejad, Parisa

    2012-09-10

    A novel apodized photon sieve is presented in which random dense Gaussian distribution is implemented to modulate the pinhole density in each zone. The random distribution in dense Gaussian distribution causes intrazone discontinuities. Also, the dense Gaussian distribution generates a substantial number of pinholes in order to form a large degree of overlap between the holes in a few innermost zones of the photon sieve; thereby, clear zones are formed. The role of the discontinuities on the focusing properties of the photon sieve is examined as well. Analysis shows that secondary maxima have evidently been suppressed, transmission has increased enormously, and the central maxima width is approximately unchanged in comparison to the dense Gaussian distribution. Theoretical results have been completely verified by experiment.

  17. Gaussian intrinsic entanglement for states with partial minimum uncertainty

    NASA Astrophysics Data System (ADS)

    Mišta, Ladislav; Baksová, Klára

    2018-01-01

    We develop a recently proposed theory of a quantifier of bipartite Gaussian entanglement called Gaussian intrinsic entanglement (GIE) [L. Mišta, Jr. and R. Tatham, Phys. Rev. Lett. 117, 240505 (2016), 10.1103/PhysRevLett.117.240505]. Gaussian intrinsic entanglement provides a compromise between computable and physically meaningful entanglement quantifiers and so far it has been calculated for two-mode Gaussian states including all symmetric partial minimum-uncertainty states, weakly mixed asymmetric squeezed thermal states with partial minimum uncertainty, and weakly mixed symmetric squeezed thermal states. We improve the method of derivation of GIE and show that all previously derived formulas for GIE of weakly mixed states in fact hold for states with higher mixedness. In addition, we derive analytical formulas for GIE for several other classes of two-mode Gaussian states with partial minimum uncertainty. Finally, we show that, like for all previously known states, also for all currently considered states the GIE is equal to Gaussian Rényi-2 entanglement of formation. This finding strengthens a conjecture about the equivalence of GIE and Gaussian Rényi-2 entanglement of formation for all bipartite Gaussian states.

  18. Elegant Ince-Gaussian beams in a quadratic-index medium

    NASA Astrophysics Data System (ADS)

    Bai, Zhi-Yong; Deng, Dong-Mei; Guo, Qi

    2011-09-01

    Elegant Ince—Gaussian beams, which are the exact solutions of the paraxial wave equation in a quadratic-index medium, are derived in elliptical coordinates. These kinds of beams are the alternative form of standard Ince—Gaussian beams and they display better symmetry between the Ince-polynomials and the Gaussian function in mathematics. The transverse intensity distribution and the phase of the elegant Ince—Gaussian beams are discussed.

  19. GAUSSIAN BEAM LASER RESONATOR PROGRAM

    NASA Technical Reports Server (NTRS)

    Cross, P. L.

    1994-01-01

    In designing a laser cavity, the laser engineer is frequently concerned with more than the stability of the resonator. Other considerations include the size of the beam at various optical surfaces within the resonator or the performance of intracavity line-narrowing or other optical elements. Laser resonators obey the laws of Gaussian beam propagation, not geometric optics. The Gaussian Beam Laser Resonator Program models laser resonators using Gaussian ray trace techniques. It can be used to determine the propagation of radiation through laser resonators. The algorithm used in the Gaussian Beam Resonator program has three major components. First, the ray transfer matrix for the laser resonator must be calculated. Next calculations of the initial beam parameters, specifically, the beam stability, the beam waist size and location for the resonator input element, and the wavefront curvature and beam radius at the input surface to the first resonator element are performed. Finally the propagation of the beam through the optical elements is computed. The optical elements can be modeled as parallel plates, lenses, mirrors, dummy surfaces, or Gradient Index (GRIN) lenses. A Gradient Index lens is a good approximation of a laser rod operating under a thermal load. The optical system may contain up to 50 elements. In addition to the internal beam elements the optical system may contain elements external to the resonator. The Gaussian Beam Resonator program was written in Microsoft FORTRAN (Version 4.01). It was developed for the IBM PS/2 80-071 microcomputer and has been implemented on an IBM PC compatible under MS DOS 3.21. The program was developed in 1988 and requires approximately 95K bytes to operate.

  20. Gaussian decomposition of high-resolution melt curve derivatives for measuring genome-editing efficiency

    PubMed Central

    Zaboikin, Michail; Freter, Carl

    2018-01-01

    We describe a method for measuring genome editing efficiency from in silico analysis of high-resolution melt curve data. The melt curve data derived from amplicons of genome-edited or unmodified target sites were processed to remove the background fluorescent signal emanating from free fluorophore and then corrected for temperature-dependent quenching of fluorescence of double-stranded DNA-bound fluorophore. Corrected data were normalized and numerically differentiated to obtain the first derivatives of the melt curves. These were then mathematically modeled as a sum or superposition of minimal number of Gaussian components. Using Gaussian parameters determined by modeling of melt curve derivatives of unedited samples, we were able to model melt curve derivatives from genetically altered target sites where the mutant population could be accommodated using an additional Gaussian component. From this, the proportion contributed by the mutant component in the target region amplicon could be accurately determined. Mutant component computations compared well with the mutant frequency determination from next generation sequencing data. The results were also consistent with our earlier studies that used difference curve areas from high-resolution melt curves for determining the efficiency of genome-editing reagents. The advantage of the described method is that it does not require calibration curves to estimate proportion of mutants in amplicons of genome-edited target sites. PMID:29300734

  1. Encrypted data stream identification using randomness sparse representation and fuzzy Gaussian mixture model

    NASA Astrophysics Data System (ADS)

    Zhang, Hong; Hou, Rui; Yi, Lei; Meng, Juan; Pan, Zhisong; Zhou, Yuhuan

    2016-07-01

    The accurate identification of encrypted data stream helps to regulate illegal data, detect network attacks and protect users' information. In this paper, a novel encrypted data stream identification algorithm is introduced. The proposed method is based on randomness characteristics of encrypted data stream. We use a l1-norm regularized logistic regression to improve sparse representation of randomness features and Fuzzy Gaussian Mixture Model (FGMM) to improve identification accuracy. Experimental results demonstrate that the method can be adopted as an effective technique for encrypted data stream identification.

  2. Modified Gaussian influence function of deformable mirror actuators.

    PubMed

    Huang, Linhai; Rao, Changhui; Jiang, Wenhan

    2008-01-07

    A new deformable mirror influence function based on a Gaussian function is introduced to analyze the fitting capability of a deformable mirror. The modified expressions for both azimuthal and radial directions are presented based on the analysis of the residual error between a measured influence function and a Gaussian influence function. With a simplex search method, we further compare the fitting capability of our proposed influence function to fit the data produced by a Zygo interferometer with that of a Gaussian influence function. The result indicates that the modified Gaussian influence function provides much better performance in data fitting.

  3. Gaussian Finite Element Method for Description of Underwater Sound Diffraction

    NASA Astrophysics Data System (ADS)

    Huang, Dehua

    A new method for solving diffraction problems is presented in this dissertation. It is based on the use of Gaussian diffraction theory. The Rayleigh integral is used to prove the core of Gaussian theory: the diffraction field of a Gaussian is described by a Gaussian function. The parabolic approximation used by previous authors is not necessary to this proof. Comparison of the Gaussian beam expansion and Fourier series expansion reveals that the Gaussian expansion is a more general and more powerful technique. The method combines the Gaussian beam superposition technique (Wen and Breazeale, J. Acoust. Soc. Am. 83, 1752-1756 (1988)) and the Finite element solution to the parabolic equation (Huang, J. Acoust. Soc. Am. 84, 1405-1413 (1988)). Computer modeling shows that the new method is capable of solving for the sound field even in an inhomogeneous medium, whether the source is a Gaussian source or a distributed source. It can be used for horizontally layered interfaces or irregular interfaces. Calculated results are compared with experimental results by use of a recently designed and improved Gaussian transducer in a laboratory water tank. In addition, the power of the Gaussian Finite element method is demonstrated by comparing numerical results with experimental results from use of a piston transducer in a water tank.

  4. Gaussian mixtures on tensor fields for segmentation: applications to medical imaging.

    PubMed

    de Luis-García, Rodrigo; Westin, Carl-Fredrik; Alberola-López, Carlos

    2011-01-01

    In this paper, we introduce a new approach for tensor field segmentation based on the definition of mixtures of Gaussians on tensors as a statistical model. Working over the well-known Geodesic Active Regions segmentation framework, this scheme presents several interesting advantages. First, it yields a more flexible model than the use of a single Gaussian distribution, which enables the method to better adapt to the complexity of the data. Second, it can work directly on tensor-valued images or, through a parallel scheme that processes independently the intensity and the local structure tensor, on scalar textured images. Two different applications have been considered to show the suitability of the proposed method for medical imaging segmentation. First, we address DT-MRI segmentation on a dataset of 32 volumes, showing a successful segmentation of the corpus callosum and favourable comparisons with related approaches in the literature. Second, the segmentation of bones from hand radiographs is studied, and a complete automatic-semiautomatic approach has been developed that makes use of anatomical prior knowledge to produce accurate segmentation results. Copyright © 2010 Elsevier Ltd. All rights reserved.

  5. Surface-from-gradients without discrete integrability enforcement: A Gaussian kernel approach.

    PubMed

    Ng, Heung-Sun; Wu, Tai-Pang; Tang, Chi-Keung

    2010-11-01

    Representative surface reconstruction algorithms taking a gradient field as input enforce the integrability constraint in a discrete manner. While enforcing integrability allows the subsequent integration to produce surface heights, existing algorithms have one or more of the following disadvantages: They can only handle dense per-pixel gradient fields, smooth out sharp features in a partially integrable field, or produce severe surface distortion in the results. In this paper, we present a method which does not enforce discrete integrability and reconstructs a 3D continuous surface from a gradient or a height field, or a combination of both, which can be dense or sparse. The key to our approach is the use of kernel basis functions, which transfer the continuous surface reconstruction problem into high-dimensional space, where a closed-form solution exists. By using the Gaussian kernel, we can derive a straightforward implementation which is able to produce results better than traditional techniques. In general, an important advantage of our kernel-based method is that the method does not suffer discretization and finite approximation, both of which lead to surface distortion, which is typical of Fourier or wavelet bases widely adopted by previous representative approaches. We perform comparisons with classical and recent methods on benchmark as well as challenging data sets to demonstrate that our method produces accurate surface reconstruction that preserves salient and sharp features. The source code and executable of the system are available for downloading.

  6. Poisson-Gaussian Noise Reduction Using the Hidden Markov Model in Contourlet Domain for Fluorescence Microscopy Images

    PubMed Central

    Yang, Sejung; Lee, Byung-Uk

    2015-01-01

    In certain image acquisitions processes, like in fluorescence microscopy or astronomy, only a limited number of photons can be collected due to various physical constraints. The resulting images suffer from signal dependent noise, which can be modeled as a Poisson distribution, and a low signal-to-noise ratio. However, the majority of research on noise reduction algorithms focuses on signal independent Gaussian noise. In this paper, we model noise as a combination of Poisson and Gaussian probability distributions to construct a more accurate model and adopt the contourlet transform which provides a sparse representation of the directional components in images. We also apply hidden Markov models with a framework that neatly describes the spatial and interscale dependencies which are the properties of transformation coefficients of natural images. In this paper, an effective denoising algorithm for Poisson-Gaussian noise is proposed using the contourlet transform, hidden Markov models and noise estimation in the transform domain. We supplement the algorithm by cycle spinning and Wiener filtering for further improvements. We finally show experimental results with simulations and fluorescence microscopy images which demonstrate the improved performance of the proposed approach. PMID:26352138

  7. Accelerating Sequential Gaussian Simulation with a constant path

    NASA Astrophysics Data System (ADS)

    Nussbaumer, Raphaël; Mariethoz, Grégoire; Gravey, Mathieu; Gloaguen, Erwan; Holliger, Klaus

    2018-03-01

    Sequential Gaussian Simulation (SGS) is a stochastic simulation technique commonly employed for generating realizations of Gaussian random fields. Arguably, the main limitation of this technique is the high computational cost associated with determining the kriging weights. This problem is compounded by the fact that often many realizations are required to allow for an adequate uncertainty assessment. A seemingly simple way to address this problem is to keep the same simulation path for all realizations. This results in identical neighbourhood configurations and hence the kriging weights only need to be determined once and can then be re-used in all subsequent realizations. This approach is generally not recommended because it is expected to result in correlation between the realizations. Here, we challenge this common preconception and make the case for the use of a constant path approach in SGS by systematically evaluating the associated benefits and limitations. We present a detailed implementation, particularly regarding parallelization and memory requirements. Extensive numerical tests demonstrate that using a constant path allows for substantial computational gains with very limited loss of simulation accuracy. This is especially the case for a constant multi-grid path. The computational savings can be used to increase the neighbourhood size, thus allowing for a better reproduction of the spatial statistics. The outcome of this study is a recommendation for an optimal implementation of SGS that maximizes accurate reproduction of the covariance structure as well as computational efficiency.

  8. Do Solvated Electrons (e(aq)⁻) Reduce DNA Bases? A Gaussian 4 and Density Functional Theory-Molecular Dynamics Study.

    PubMed

    Kumar, Anil; Adhikary, Amitava; Shamoun, Lance; Sevilla, Michael D

    2016-03-10

    The solvated electron (e(aq)⁻) is a primary intermediate after an ionization event that produces reductive DNA damage. Accurate standard redox potentials (E(o)) of nucleobases and of e(aq)⁻ determine the extent of reaction of e(aq)⁻ with nucleobases. In this work, E(o) values of e(aq)⁻ and of nucleobases have been calculated employing the accurate ab initio Gaussian 4 theory including the polarizable continuum model (PCM). The Gaussian 4-calculated E(o) of e(aq)⁻ (-2.86 V) is in excellent agreement with the experimental one (-2.87 V). The Gaussian 4-calculated E(o) of nucleobases in dimethylformamide (DMF) lie in the range (-2.36 V to -2.86 V); they are in reasonable agreement with the experimental E(o) in DMF and have a mean unsigned error (MUE) = 0.22 V. However, inclusion of specific water molecules reduces this error significantly (MUE = 0.07). With the use of a model of e(aq)⁻ nucleobase complex with six water molecules, the reaction of e(aq)⁻ with the adjacent nucleobase is investigated using approximate ab initio molecular dynamics (MD) simulations including PCM. Our MD simulations show that e(aq)⁻ transfers to uracil, thymine, cytosine, and adenine, within 10 to 120 fs and e(aq)⁻ reacts with guanine only when a water molecule forms a hydrogen bond to O6 of guanine which stabilizes the anion radical.

  9. Gaussian entanglement distribution via satellite

    NASA Astrophysics Data System (ADS)

    Hosseinidehaj, Nedasadat; Malaney, Robert

    2015-02-01

    In this work we analyze three quantum communication schemes for the generation of Gaussian entanglement between two ground stations. Communication occurs via a satellite over two independent atmospheric fading channels dominated by turbulence-induced beam wander. In our first scheme, the engineering complexity remains largely on the ground transceivers, with the satellite acting simply as a reflector. Although the channel state information of the two atmospheric channels remains unknown in this scheme, the Gaussian entanglement generation between the ground stations can still be determined. On the ground, distillation and Gaussification procedures can be applied, leading to a refined Gaussian entanglement generation rate between the ground stations. We compare the rates produced by this first scheme with two competing schemes in which quantum complexity is added to the satellite, thereby illustrating the tradeoff between space-based engineering complexity and the rate of ground-station entanglement generation.

  10. Revisiting non-Gaussianity from non-attractor inflation models

    NASA Astrophysics Data System (ADS)

    Cai, Yi-Fu; Chen, Xingang; Namjoo, Mohammad Hossein; Sasaki, Misao; Wang, Dong-Gang; Wang, Ziwei

    2018-05-01

    Non-attractor inflation is known as the only single field inflationary scenario that can violate non-Gaussianity consistency relation with the Bunch-Davies vacuum state and generate large local non-Gaussianity. However, it is also known that the non-attractor inflation by itself is incomplete and should be followed by a phase of slow-roll attractor. Moreover, there is a transition process between these two phases. In the past literature, this transition was approximated as instant and the evolution of non-Gaussianity in this phase was not fully studied. In this paper, we follow the detailed evolution of the non-Gaussianity through the transition phase into the slow-roll attractor phase, considering different types of transition. We find that the transition process has important effect on the size of the local non-Gaussianity. We first compute the net contribution of the non-Gaussianities at the end of inflation in canonical non-attractor models. If the curvature perturbations keep evolving during the transition—such as in the case of smooth transition or some sharp transition scenarios—the Script O(1) local non-Gaussianity generated in the non-attractor phase can be completely erased by the subsequent evolution, although the consistency relation remains violated. In extremal cases of sharp transition where the super-horizon modes freeze immediately right after the end of the non-attractor phase, the original non-attractor result can be recovered. We also study models with non-canonical kinetic terms, and find that the transition can typically contribute a suppression factor in the squeezed bispectrum, but the final local non-Gaussianity can still be made parametrically large.

  11. Anomalous and non-Gaussian diffusion in Hertzian spheres

    NASA Astrophysics Data System (ADS)

    Ouyang, Wenze; Sun, Bin; Sun, Zhiwei; Xu, Shenghua

    2018-09-01

    By means of molecular dynamics simulations, we study the non-Gaussian diffusion in the fluid of Hertzian spheres. The time dependent non-Gaussian parameter, as an indicator of the dynamic heterogeneity, is increased with the increasing of temperature. When the temperature is high enough, the dynamic heterogeneity becomes very significant, and it seems counterintuitive that the maximum of non-Gaussian parameter and the position of its peak decrease monotonically with the increasing of density. By fitting the curves of self intermediate scattering function, we find that the character relaxation time τα is surprisingly not coupled with the time τmax where the non-Gaussian parameter reaches to a maximum. The intriguing features of non-Gaussian diffusion at high enough temperatures can be associated with the weakly correlated mean-field behavior of Hertzian spheres. Especially the time τmax is nearly inversely proportional to the density at extremely high temperatures.

  12. Propagation properties of cylindrical sinc Gaussian beam

    NASA Astrophysics Data System (ADS)

    Eyyuboğlu, Halil T.; Bayraktar, Mert

    2016-09-01

    We investigate the propagation properties of cylindrical sinc Gaussian beam in turbulent atmosphere. Since an analytic solution is hardly derivable, the study is carried out with the aid of random phase screens. Evolutions of the beam intensity profile, beam size and kurtosis parameter are analysed. It is found that on the source plane, cylindrical sinc Gaussian beam has a dark hollow appearance, where the side lobes also start to emerge with increase in width parameter and Gaussian source size. During propagation, beams with small width and Gaussian source size exhibit off-axis behaviour, losing the dark hollow shape, accumulating the intensity asymmetrically on one side, whereas those with large width and Gaussian source size retain dark hollow appearance even at long propagation distances. It is seen that the beams with large widths expand more in beam size than the ones with small widths. The structure constant values chosen do not seem to alter this situation. The kurtosis parameters of the beams having small widths are seen to be larger than the ones with the small widths. Again the choice of the structure constant does not change this trend.

  13. Non-Gaussian Methods for Causal Structure Learning.

    PubMed

    Shimizu, Shohei

    2018-05-22

    Causal structure learning is one of the most exciting new topics in the fields of machine learning and statistics. In many empirical sciences including prevention science, the causal mechanisms underlying various phenomena need to be studied. Nevertheless, in many cases, classical methods for causal structure learning are not capable of estimating the causal structure of variables. This is because it explicitly or implicitly assumes Gaussianity of data and typically utilizes only the covariance structure. In many applications, however, non-Gaussian data are often obtained, which means that more information may be contained in the data distribution than the covariance matrix is capable of containing. Thus, many new methods have recently been proposed for using the non-Gaussian structure of data and inferring the causal structure of variables. This paper introduces prevention scientists to such causal structure learning methods, particularly those based on the linear, non-Gaussian, acyclic model known as LiNGAM. These non-Gaussian data analysis tools can fully estimate the underlying causal structures of variables under assumptions even in the presence of unobserved common causes. This feature is in contrast to other approaches. A simulated example is also provided.

  14. Quantifying entanglement in two-mode Gaussian states

    NASA Astrophysics Data System (ADS)

    Tserkis, Spyros; Ralph, Timothy C.

    2017-12-01

    Entangled two-mode Gaussian states are a key resource for quantum information technologies such as teleportation, quantum cryptography, and quantum computation, so quantification of Gaussian entanglement is an important problem. Entanglement of formation is unanimously considered a proper measure of quantum correlations, but for arbitrary two-mode Gaussian states no analytical form is currently known. In contrast, logarithmic negativity is a measure that is straightforward to calculate and so has been adopted by most researchers, even though it is a less faithful quantifier. In this work, we derive an analytical lower bound for entanglement of formation of generic two-mode Gaussian states, which becomes tight for symmetric states and for states with balanced correlations. We define simple expressions for entanglement of formation in physically relevant situations and use these to illustrate the problematic behavior of logarithmic negativity, which can lead to spurious conclusions.

  15. Mode entanglement of Gaussian fermionic states

    NASA Astrophysics Data System (ADS)

    Spee, C.; Schwaiger, K.; Giedke, G.; Kraus, B.

    2018-04-01

    We investigate the entanglement of n -mode n -partite Gaussian fermionic states (GFS). First, we identify a reasonable definition of separability for GFS and derive a standard form for mixed states, to which any state can be mapped via Gaussian local unitaries (GLU). As the standard form is unique, two GFS are equivalent under GLU if and only if their standard forms coincide. Then, we investigate the important class of local operations assisted by classical communication (LOCC). These are central in entanglement theory as they allow one to partially order the entanglement contained in states. We show, however, that there are no nontrivial Gaussian LOCC (GLOCC) among pure n -partite (fully entangled) states. That is, any such GLOCC transformation can also be accomplished via GLU. To obtain further insight into the entanglement properties of such GFS, we investigate the richer class of Gaussian stochastic local operations assisted by classical communication (SLOCC). We characterize Gaussian SLOCC classes of pure n -mode n -partite states and derive them explicitly for few-mode states. Furthermore, we consider certain fermionic LOCC and show how to identify the maximally entangled set of pure n -mode n -partite GFS, i.e., the minimal set of states having the property that any other state can be obtained from one state inside this set via fermionic LOCC. We generalize these findings also to the pure m -mode n -partite (for m >n ) case.

  16. Gaussian Mixture Model of Heart Rate Variability

    PubMed Central

    Costa, Tommaso; Boccignone, Giuseppe; Ferraro, Mario

    2012-01-01

    Heart rate variability (HRV) is an important measure of sympathetic and parasympathetic functions of the autonomic nervous system and a key indicator of cardiovascular condition. This paper proposes a novel method to investigate HRV, namely by modelling it as a linear combination of Gaussians. Results show that three Gaussians are enough to describe the stationary statistics of heart variability and to provide a straightforward interpretation of the HRV power spectrum. Comparisons have been made also with synthetic data generated from different physiologically based models showing the plausibility of the Gaussian mixture parameters. PMID:22666386

  17. On Gaussian feedback capacity

    NASA Technical Reports Server (NTRS)

    Dembo, Amir

    1989-01-01

    Pinsker and Ebert (1970) proved that in channels with additive Gaussian noise, feedback at most doubles the capacity. Cover and Pombra (1989) proved that feedback at most adds half a bit per transmission. Following their approach, the author proves that in the limit as signal power approaches either zero (very low SNR) or infinity (very high SNR), feedback does not increase the finite block-length capacity (which for nonstationary Gaussian channels replaces the standard notion of capacity that may not exist). Tighter upper bounds on the capacity are obtained in the process. Specializing these results to stationary channels, the author recovers some of the bounds recently obtained by Ozarow.

  18. Recovering dark-matter clustering from galaxies with Gaussianization

    NASA Astrophysics Data System (ADS)

    McCullagh, Nuala; Neyrinck, Mark; Norberg, Peder; Cole, Shaun

    2016-04-01

    The Gaussianization transform has been proposed as a method to remove the issues of scale-dependent galaxy bias and non-linearity from galaxy clustering statistics, but these benefits have yet to be thoroughly tested for realistic galaxy samples. In this paper, we test the effectiveness of the Gaussianization transform for different galaxy types by applying it to realistic simulated blue and red galaxy samples. We show that in real space, the shapes of the Gaussianized power spectra of both red and blue galaxies agree with that of the underlying dark matter, with the initial power spectrum, and with each other to smaller scales than do the statistics of the usual (untransformed) density field. However, we find that the agreement in the Gaussianized statistics breaks down in redshift space. We attribute this to the fact that red and blue galaxies exhibit very different fingers of god in redshift space. After applying a finger-of-god compression, the agreement on small scales between the Gaussianized power spectra is restored. We also compare the Gaussianization transform to the clipped galaxy density field and find that while both methods are effective in real space, they have more complicated behaviour in redshift space. Overall, we find that Gaussianization can be useful in recovering the shape of the underlying dark-matter power spectrum to k ˜ 0.5 h Mpc-1 and of the initial power spectrum to k ˜ 0.4 h Mpc-1 in certain cases at z = 0.

  19. An adaptive Gaussian process-based method for efficient Bayesian experimental design in groundwater contaminant source identification problems: ADAPTIVE GAUSSIAN PROCESS-BASED INVERSION

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

    Zhang, Jiangjiang; Li, Weixuan; Zeng, Lingzao

    Surrogate models are commonly used in Bayesian approaches such as Markov Chain Monte Carlo (MCMC) to avoid repetitive CPU-demanding model evaluations. However, the approximation error of a surrogate may lead to biased estimations of the posterior distribution. This bias can be corrected by constructing a very accurate surrogate or implementing MCMC in a two-stage manner. Since the two-stage MCMC requires extra original model evaluations, the computational cost is still high. If the information of measurement is incorporated, a locally accurate approximation of the original model can be adaptively constructed with low computational cost. Based on this idea, we propose amore » Gaussian process (GP) surrogate-based Bayesian experimental design and parameter estimation approach for groundwater contaminant source identification problems. A major advantage of the GP surrogate is that it provides a convenient estimation of the approximation error, which can be incorporated in the Bayesian formula to avoid over-confident estimation of the posterior distribution. The proposed approach is tested with a numerical case study. Without sacrificing the estimation accuracy, the new approach achieves about 200 times of speed-up compared to our previous work using two-stage MCMC.« less

  20. Gaussian discriminating strength

    NASA Astrophysics Data System (ADS)

    Rigovacca, L.; Farace, A.; De Pasquale, A.; Giovannetti, V.

    2015-10-01

    We present a quantifier of nonclassical correlations for bipartite, multimode Gaussian states. It is derived from the Discriminating Strength measure, introduced for finite dimensional systems in Farace et al., [New J. Phys. 16, 073010 (2014), 10.1088/1367-2630/16/7/073010]. As the latter the new measure exploits the quantum Chernoff bound to gauge the susceptibility of the composite system with respect to local perturbations induced by unitary gates extracted from a suitable set of allowed transformations (the latter being identified by posing some general requirements). Closed expressions are provided for the case of two-mode Gaussian states obtained by squeezing or by linearly mixing via a beam splitter a factorized two-mode thermal state. For these density matrices, we study how nonclassical correlations are related with the entanglement present in the system and with its total photon number.

  1. Back to Normal! Gaussianizing posterior distributions for cosmological probes

    NASA Astrophysics Data System (ADS)

    Schuhmann, Robert L.; Joachimi, Benjamin; Peiris, Hiranya V.

    2014-05-01

    We present a method to map multivariate non-Gaussian posterior probability densities into Gaussian ones via nonlinear Box-Cox transformations, and generalizations thereof. This is analogous to the search for normal parameters in the CMB, but can in principle be applied to any probability density that is continuous and unimodal. The search for the optimally Gaussianizing transformation amongst the Box-Cox family is performed via a maximum likelihood formalism. We can judge the quality of the found transformation a posteriori: qualitatively via statistical tests of Gaussianity, and more illustratively by how well it reproduces the credible regions. The method permits an analytical reconstruction of the posterior from a sample, e.g. a Markov chain, and simplifies the subsequent joint analysis with other experiments. Furthermore, it permits the characterization of a non-Gaussian posterior in a compact and efficient way. The expression for the non-Gaussian posterior can be employed to find analytic formulae for the Bayesian evidence, and consequently be used for model comparison.

  2. Superstatistical generalised Langevin equation: non-Gaussian viscoelastic anomalous diffusion

    NASA Astrophysics Data System (ADS)

    Ślęzak, Jakub; Metzler, Ralf; Magdziarz, Marcin

    2018-02-01

    Recent advances in single particle tracking and supercomputing techniques demonstrate the emergence of normal or anomalous, viscoelastic diffusion in conjunction with non-Gaussian distributions in soft, biological, and active matter systems. We here formulate a stochastic model based on a generalised Langevin equation in which non-Gaussian shapes of the probability density function and normal or anomalous diffusion have a common origin, namely a random parametrisation of the stochastic force. We perform a detailed analysis demonstrating how various types of parameter distributions for the memory kernel result in exponential, power law, or power-log law tails of the memory functions. The studied system is also shown to exhibit a further unusual property: the velocity has a Gaussian one point probability density but non-Gaussian joint distributions. This behaviour is reflected in the relaxation from a Gaussian to a non-Gaussian distribution observed for the position variable. We show that our theoretical results are in excellent agreement with stochastic simulations.

  3. Capacity of PPM on Gaussian and Webb Channels

    NASA Technical Reports Server (NTRS)

    Divsalar, D.; Dolinar, S.; Pollara, F.; Hamkins, J.

    2000-01-01

    This paper computes and compares the capacities of M-ary PPM on various idealized channels that approximate the optical communication channel: (1) the standard additive white Gaussian noise (AWGN) channel;(2) a more general AWGN channel (AWGN2) allowing different variances in signal and noise slots;(3) a Webb-distributed channel (Webb2);(4) a Webb+Gaussian channel, modeling Gaussian thermal noise added to Webb-distributed channel outputs.

  4. Multipartite Gaussian steering: Monogamy constraints and quantum cryptography applications

    NASA Astrophysics Data System (ADS)

    Xiang, Yu; Kogias, Ioannis; Adesso, Gerardo; He, Qiongyi

    2017-01-01

    We derive laws for the distribution of quantum steering among different parties in multipartite Gaussian states under Gaussian measurements. We prove that a monogamy relation akin to the generalized Coffman-Kundu-Wootters inequality holds quantitatively for a recently introduced measure of Gaussian steering. We then define the residual Gaussian steering, stemming from the monogamy inequality, as an indicator of collective steering-type correlations. For pure three-mode Gaussian states, the residual acts as a quantifier of genuine multipartite steering, and is interpreted operationally in terms of the guaranteed key rate in the task of secure quantum secret sharing. Optimal resource states for the latter protocol are identified, and their possible experimental implementation discussed. Our results pin down the role of multipartite steering for quantum communication.

  5. Accurate evaluation of exchange fields in finite element micromagnetic solvers

    NASA Astrophysics Data System (ADS)

    Chang, R.; Escobar, M. A.; Li, S.; Lubarda, M. V.; Lomakin, V.

    2012-04-01

    Quadratic basis functions (QBFs) are implemented for solving the Landau-Lifshitz-Gilbert equation via the finite element method. This involves the introduction of a set of special testing functions compatible with the QBFs for evaluating the Laplacian operator. The results by using QBFs are significantly more accurate than those via linear basis functions. QBF approach leads to significantly more accurate results than conventionally used approaches based on linear basis functions. Importantly QBFs allow reducing the error of computing the exchange field by increasing the mesh density for structured and unstructured meshes. Numerical examples demonstrate the feasibility of the method.

  6. Analysis of Flow and Transport in non-Gaussian Heterogeneous Formations Using a Generalized Sub-Gaussian Model

    NASA Astrophysics Data System (ADS)

    Guadagnini, A.; Riva, M.; Neuman, S. P.

    2016-12-01

    Environmental quantities such as log hydraulic conductivity (or transmissivity), Y(x) = ln K(x), and their spatial (or temporal) increments, ΔY, are known to be generally non-Gaussian. Documented evidence of such behavior includes symmetry of increment distributions at all separation scales (or lags) between incremental values of Y with sharp peaks and heavy tails that decay asymptotically as lag increases. This statistical scaling occurs in porous as well as fractured media characterized by either one or a hierarchy of spatial correlation scales. In hierarchical media one observes a range of additional statistical ΔY scaling phenomena, all of which are captured comprehensibly by a novel generalized sub-Gaussian (GSG) model. In this model Y forms a mixture Y(x) = U(x) G(x) of single- or multi-scale Gaussian processes G having random variances, U being a non-negative subordinator independent of G. Elsewhere we developed ways to generate unconditional and conditional random realizations of isotropic or anisotropic GSG fields which can be embedded in numerical Monte Carlo flow and transport simulations. Here we present and discuss expressions for probability distribution functions of Y and ΔY as well as their lead statistical moments. We then focus on a simple flow setting of mean uniform steady state flow in an unbounded, two-dimensional domain, exploring ways in which non-Gaussian heterogeneity affects stochastic flow and transport descriptions. Our expressions represent (a) lead order autocovariance and cross-covariance functions of hydraulic head, velocity and advective particle displacement as well as (b) analogues of preasymptotic and asymptotic Fickian dispersion coefficients. We compare them with corresponding expressions developed in the literature for Gaussian Y.

  7. How Gaussian can our Universe be?

    NASA Astrophysics Data System (ADS)

    Cabass, G.; Pajer, E.; Schmidt, F.

    2017-01-01

    Gravity is a non-linear theory, and hence, barring cancellations, the initial super-horizon perturbations produced by inflation must contain some minimum amount of mode coupling, or primordial non-Gaussianity. In single-field slow-roll models, where this lower bound is saturated, non-Gaussianity is controlled by two observables: the tensor-to-scalar ratio, which is uncertain by more than fifty orders of magnitude; and the scalar spectral index, or tilt, which is relatively well measured. It is well known that to leading and next-to-leading order in derivatives, the contributions proportional to the tilt disappear from any local observable, and suspicion has been raised that this might happen to all orders, allowing for an arbitrarily low amount of primordial non-Gaussianity. Employing Conformal Fermi Coordinates, we show explicitly that this is not the case. Instead, a contribution of order the tilt appears in local observables. In summary, the floor of physical primordial non-Gaussianity in our Universe has a squeezed-limit scaling of kl2/ks2, similar to equilateral and orthogonal shapes, and a dimensionless amplitude of order 0.1 × (ns-1).

  8. Evaluation of non-Gaussian diffusion in cardiac MRI.

    PubMed

    McClymont, Darryl; Teh, Irvin; Carruth, Eric; Omens, Jeffrey; McCulloch, Andrew; Whittington, Hannah J; Kohl, Peter; Grau, Vicente; Schneider, Jürgen E

    2017-09-01

    The diffusion tensor model assumes Gaussian diffusion and is widely applied in cardiac diffusion MRI. However, diffusion in biological tissue deviates from a Gaussian profile as a result of hindrance and restriction from cell and tissue microstructure, and may be quantified better by non-Gaussian modeling. The aim of this study was to investigate non-Gaussian diffusion in healthy and hypertrophic hearts. Thirteen rat hearts (five healthy, four sham, four hypertrophic) were imaged ex vivo. Diffusion-weighted images were acquired at b-values up to 10,000 s/mm 2 . Models of diffusion were fit to the data and ranked based on the Akaike information criterion. The diffusion tensor was ranked best at b-values up to 2000 s/mm 2 but reflected the signal poorly in the high b-value regime, in which the best model was a non-Gaussian "beta distribution" model. Although there was considerable overlap in apparent diffusivities between the healthy, sham, and hypertrophic hearts, diffusion kurtosis and skewness in the hypertrophic hearts were more than 20% higher in the sheetlet and sheetlet-normal directions. Non-Gaussian diffusion models have a higher sensitivity for the detection of hypertrophy compared with the Gaussian model. In particular, diffusion kurtosis may serve as a useful biomarker for characterization of disease and remodeling in the heart. Magn Reson Med 78:1174-1186, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 The Authors Magnetic Resonance in Medicine published by Wiley Periodicals, Inc. on behalf of International Society for Magnetic Resonance in Medicine.

  9. Propagation of specular and anti-specular Gaussian Schell-model beams in oceanic turbulence

    NASA Astrophysics Data System (ADS)

    Zhou, Zhaotao; Guo, Mengwen; Zhao, Daomu

    2017-01-01

    On the basis of the extended Huygens-Fresnel principle and the unified theory of coherence and polarization of light, we investigate the propagation properties of the specular and anti-specular Gaussian Schell-model (GSM) beams through oceanic turbulence. It is shown that the specularity of specular GSM beams and the anti-specularity of anti-specular GSM beams are destroyed on propagation in oceanic turbulence. The spectral density and the spectral degree of coherence are also studied in detail. The results may be helpful for underwater communication.

  10. Primordial non-Gaussianity and reionization

    NASA Astrophysics Data System (ADS)

    Lidz, Adam; Baxter, Eric J.; Adshead, Peter; Dodelson, Scott

    2013-07-01

    The statistical properties of the primordial perturbations contain clues about their origins. Although the Planck collaboration has recently obtained tight constraints on primordial non-Gaussianity from cosmic microwave background measurements, it is still worthwhile to mine upcoming data sets in an effort to place independent or competitive limits. The ionized bubbles that formed at redshift z˜6-20 during the epoch of reionization were seeded by primordial overdensities, and so the statistics of the ionization field at high redshift are related to the statistics of the primordial field. Here we model the effect of primordial non-Gaussianity on the reionization field. The epoch and duration of reionization are affected, as are the sizes of the ionized bubbles, but these changes are degenerate with variations in the properties of the ionizing sources and the surrounding intergalactic medium. A more promising signature is the power spectrum of the spatial fluctuations in the ionization field, which may be probed by upcoming 21 cm surveys. This has the expected 1/k2 dependence on large scales, characteristic of a biased tracer of the matter field. We project how well upcoming 21 cm observations will be able to disentangle this signal from foreground contamination. Although foreground cleaning inevitably removes the large-scale modes most impacted by primordial non-Gaussianity, we find that primordial non-Gaussianity can be separated from foreground contamination for a narrow range of length scales. In principle, futuristic redshifted 21 cm surveys may allow constraints competitive with Planck.

  11. An algorithm for automatic crystal identification in pixelated scintillation detectors using thin plate splines and Gaussian mixture models

    NASA Astrophysics Data System (ADS)

    Schellenberg, Graham; Stortz, Greg; Goertzen, Andrew L.

    2016-02-01

    A typical positron emission tomography detector is comprised of a scintillator crystal array coupled to a photodetector array or other position sensitive detector. Such detectors using light sharing to read out crystal elements require the creation of a crystal lookup table (CLUT) that maps the detector response to the crystal of interaction based on the x-y position of the event calculated through Anger-type logic. It is vital for system performance that these CLUTs be accurate so that the location of events can be accurately identified and so that crystal-specific corrections, such as energy windowing or time alignment, can be applied. While using manual segmentation of the flood image to create the CLUT is a simple and reliable approach, it is both tedious and time consuming for systems with large numbers of crystal elements. In this work we describe the development of an automated algorithm for CLUT generation that uses a Gaussian mixture model paired with thin plate splines (TPS) to iteratively fit a crystal layout template that includes the crystal numbering pattern. Starting from a region of stability, Gaussians are individually fit to data corresponding to crystal locations while simultaneously updating a TPS for predicting future Gaussian locations at the edge of a region of interest that grows as individual Gaussians converge to crystal locations. The algorithm was tested with flood image data collected from 16 detector modules, each consisting of a 409 crystal dual-layer offset LYSO crystal array readout by a 32 pixel SiPM array. For these detector flood images, depending on user defined input parameters, the algorithm runtime ranged between 17.5-82.5 s per detector on a single core of an Intel i7 processor. The method maintained an accuracy above 99.8% across all tests, with the majority of errors being localized to error prone corner regions. This method can be easily extended for use with other detector types through adjustment of the initial

  12. Active Contours Driven by Multi-Feature Gaussian Distribution Fitting Energy with Application to Vessel Segmentation.

    PubMed

    Wang, Lei; Zhang, Huimao; He, Kan; Chang, Yan; Yang, Xiaodong

    2015-01-01

    Active contour models are of great importance for image segmentation and can extract smooth and closed boundary contours of the desired objects with promising results. However, they cannot work well in the presence of intensity inhomogeneity. Hence, a novel region-based active contour model is proposed by taking image intensities and 'vesselness values' from local phase-based vesselness enhancement into account simultaneously to define a novel multi-feature Gaussian distribution fitting energy in this paper. This energy is then incorporated into a level set formulation with a regularization term for accurate segmentations. Experimental results based on publicly available STructured Analysis of the Retina (STARE) demonstrate our model is more accurate than some existing typical methods and can successfully segment most small vessels with varying width.

  13. Some error bounds for K-iterated Gaussian recursive filters

    NASA Astrophysics Data System (ADS)

    Cuomo, Salvatore; Galletti, Ardelio; Giunta, Giulio; Marcellino, Livia

    2016-10-01

    Recursive filters (RFs) have achieved a central role in several research fields over the last few years. For example, they are used in image processing, in data assimilation and in electrocardiogram denoising. More in particular, among RFs, the Gaussian RFs are an efficient computational tool for approximating Gaussian-based convolutions and are suitable for digital image processing and applications of the scale-space theory. As is a common knowledge, the Gaussian RFs, applied to signals with support in a finite domain, generate distortions and artifacts, mostly localized at the boundaries. Heuristic and theoretical improvements have been proposed in literature to deal with this issue (namely boundary conditions). They include the case in which a Gaussian RF is applied more than once, i.e. the so called K-iterated Gaussian RFs. In this paper, starting from a summary of the comprehensive mathematical background, we consider the case of the K-iterated first-order Gaussian RF and provide the study of its numerical stability and some component-wise theoretical error bounds.

  14. Atomic Gaussian type orbitals and their Fourier transforms via the Rayleigh expansion

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

    Yükçü, Niyazi

    Gaussian type orbitals (GTOs), which are one of the types of exponential type orbitals (ETOs), are used usually as basis functions in the multi-center atomic and molecular integrals to better understand physical and chemical properties of matter. In the Fourier transform method (FTM), basis functions have not simplicity to make mathematical operations, but their Fourier transforms are easier to use. In this work, with the help of FTM, Rayleigh expansion and some properties of unnormalized GTOs, we present new mathematical results for the Fourier transform of GTOs in terms of Laguerre polynomials, hypergeometric and Whittaker functions. Physical and analytical propertiesmore » of GTOs are discussed and some numerical results have been given in a table. Finally, we compare our mathematical results with the other known literature results by using a computer program and details of evaluation are presented.« less

  15. Kurtosis, skewness, and non-Gaussian cosmological density perturbations

    NASA Technical Reports Server (NTRS)

    Luo, Xiaochun; Schramm, David N.

    1993-01-01

    Cosmological topological defects as well as some nonstandard inflation models can give rise to non-Gaussian density perturbations. Skewness and kurtosis are the third and fourth moments that measure the deviation of a distribution from a Gaussian. Measurement of these moments for the cosmological density field and for the microwave background temperature anisotropy can provide a test of the Gaussian nature of the primordial fluctuation spectrum. In the case of the density field, the importance of measuring the kurtosis is stressed since it will be preserved through the weakly nonlinear gravitational evolution epoch. Current constraints on skewness and kurtosis of primeval perturbations are obtained from the observed density contrast on small scales and from recent COBE observations of temperature anisotropies on large scales. It is also shown how, in principle, future microwave anisotropy experiments might be able to reveal the initial skewness and kurtosis. It is shown that present data argue that if the initial spectrum is adiabatic, then it is probably Gaussian, but non-Gaussian isocurvature fluctuations are still allowed, and these are what topological defects provide.

  16. Near Hartree-Fock quality GTO basis sets for the second-row atoms

    NASA Technical Reports Server (NTRS)

    Partridge, Harry

    1987-01-01

    Energy optimized, near Hartree-Fock quality Gaussian basis sets ranging in size from (17s12p) to (20s15p) are presented for the ground states of the second-row atoms for Na(2P), Na(+), Na(-), Mg(3P), P(-), S(-), and Cl(-). In addition, optimized supplementary functions are given for the ground state basis sets to describe the negative ions, and the excited Na(2P) and Mg(3P) atomic states. The ratios of successive orbital exponents describing the inner part of the 1s and 2p orbitals are found to be nearly independent of both nuclear charge and basis set size. This provides a method of obtaining good starting estimates for other basis set optimizations.

  17. Non-Gaussianity in a quasiclassical electronic circuit

    NASA Astrophysics Data System (ADS)

    Suzuki, Takafumi J.; Hayakawa, Hisao

    2017-05-01

    We study the non-Gaussian dynamics of a quasiclassical electronic circuit coupled to a mesoscopic conductor. Non-Gaussian noise accompanying the nonequilibrium transport through the conductor significantly modifies the stationary probability density function (PDF) of the flux in the dissipative circuit. We incorporate weak quantum fluctuation of the dissipative LC circuit with a stochastic method and evaluate the quantum correction of the stationary PDF. Furthermore, an inverse formula to infer the statistical properties of the non-Gaussian noise from the stationary PDF is derived in the classical-quantum crossover regime. The quantum correction is indispensable to correctly estimate the microscopic transfer events in the QPC with the quasiclassical inverse formula.

  18. Quantum non-Gaussianity and quantification of nonclassicality

    NASA Astrophysics Data System (ADS)

    Kühn, B.; Vogel, W.

    2018-05-01

    The algebraic quantification of nonclassicality, which naturally arises from the quantum superposition principle, is related to properties of regular nonclassicality quasiprobabilities. The latter are obtained by non-Gaussian filtering of the Glauber-Sudarshan P function. They yield lower bounds for the degree of nonclassicality. We also derive bounds for convex combinations of Gaussian states for certifying quantum non-Gaussianity directly from the experimentally accessible nonclassicality quasiprobabilities. Other quantum-state representations, such as s -parametrized quasiprobabilities, insufficiently indicate or even fail to directly uncover detailed information on the properties of quantum states. As an example, our approach is applied to multi-photon-added squeezed vacuum states.

  19. Comparisons of non-Gaussian statistical models in DNA methylation analysis.

    PubMed

    Ma, Zhanyu; Teschendorff, Andrew E; Yu, Hong; Taghia, Jalil; Guo, Jun

    2014-06-16

    As a key regulatory mechanism of gene expression, DNA methylation patterns are widely altered in many complex genetic diseases, including cancer. DNA methylation is naturally quantified by bounded support data; therefore, it is non-Gaussian distributed. In order to capture such properties, we introduce some non-Gaussian statistical models to perform dimension reduction on DNA methylation data. Afterwards, non-Gaussian statistical model-based unsupervised clustering strategies are applied to cluster the data. Comparisons and analysis of different dimension reduction strategies and unsupervised clustering methods are presented. Experimental results show that the non-Gaussian statistical model-based methods are superior to the conventional Gaussian distribution-based method. They are meaningful tools for DNA methylation analysis. Moreover, among several non-Gaussian methods, the one that captures the bounded nature of DNA methylation data reveals the best clustering performance.

  20. Comparisons of Non-Gaussian Statistical Models in DNA Methylation Analysis

    PubMed Central

    Ma, Zhanyu; Teschendorff, Andrew E.; Yu, Hong; Taghia, Jalil; Guo, Jun

    2014-01-01

    As a key regulatory mechanism of gene expression, DNA methylation patterns are widely altered in many complex genetic diseases, including cancer. DNA methylation is naturally quantified by bounded support data; therefore, it is non-Gaussian distributed. In order to capture such properties, we introduce some non-Gaussian statistical models to perform dimension reduction on DNA methylation data. Afterwards, non-Gaussian statistical model-based unsupervised clustering strategies are applied to cluster the data. Comparisons and analysis of different dimension reduction strategies and unsupervised clustering methods are presented. Experimental results show that the non-Gaussian statistical model-based methods are superior to the conventional Gaussian distribution-based method. They are meaningful tools for DNA methylation analysis. Moreover, among several non-Gaussian methods, the one that captures the bounded nature of DNA methylation data reveals the best clustering performance. PMID:24937687

  1. Analysis of randomly time varying systems by gaussian closure technique

    NASA Astrophysics Data System (ADS)

    Dash, P. K.; Iyengar, R. N.

    1982-07-01

    The Gaussian probability closure technique is applied to study the random response of multidegree of freedom stochastically time varying systems under non-Gaussian excitations. Under the assumption that the response, the coefficient and the excitation processes are jointly Gaussian, deterministic equations are derived for the first two response moments. It is further shown that this technique leads to the best Gaussian estimate in a minimum mean square error sense. An example problem is solved which demonstrates the capability of this technique for handling non-linearity, stochastic system parameters and amplitude limited responses in a unified manner. Numerical results obtained through the Gaussian closure technique compare well with the exact solutions.

  2. Divergences and estimating tight bounds on Bayes error with applications to multivariate Gaussian copula and latent Gaussian copula

    NASA Astrophysics Data System (ADS)

    Thelen, Brian J.; Xique, Ismael J.; Burns, Joseph W.; Goley, G. Steven; Nolan, Adam R.; Benson, Jonathan W.

    2017-04-01

    In Bayesian decision theory, there has been a great amount of research into theoretical frameworks and information- theoretic quantities that can be used to provide lower and upper bounds for the Bayes error. These include well-known bounds such as Chernoff, Battacharrya, and J-divergence. Part of the challenge of utilizing these various metrics in practice is (i) whether they are "loose" or "tight" bounds, (ii) how they might be estimated via either parametric or non-parametric methods, and (iii) how accurate the estimates are for limited amounts of data. In general what is desired is a methodology for generating relatively tight lower and upper bounds, and then an approach to estimate these bounds efficiently from data. In this paper, we explore the so-called triangle divergence which has been around for a while, but was recently made more prominent in some recent research on non-parametric estimation of information metrics. Part of this work is motivated by applications for quantifying fundamental information content in SAR/LIDAR data, and to help in this, we have developed a flexible multivariate modeling framework based on multivariate Gaussian copula models which can be combined with the triangle divergence framework to quantify this information, and provide approximate bounds on Bayes error. In this paper we present an overview of the bounds, including those based on triangle divergence and verify that under a number of multivariate models, the upper and lower bounds derived from triangle divergence are significantly tighter than the other common bounds, and often times, dramatically so. We also propose some simple but effective means for computing the triangle divergence using Monte Carlo methods, and then discuss estimation of the triangle divergence from empirical data based on Gaussian Copula models.

  3. Quantifying non-Gaussianity for quantum information

    NASA Astrophysics Data System (ADS)

    Genoni, Marco G.; Paris, Matteo G. A.

    2010-11-01

    We address the quantification of non-Gaussianity (nG) of states and operations in continuous-variable systems and its use in quantum information. We start by illustrating in detail the properties and the relationships of two recently proposed measures of nG based on the Hilbert-Schmidt distance and the quantum relative entropy (QRE) between the state under examination and a reference Gaussian state. We then evaluate the non-Gaussianities of several families of non-Gaussian quantum states and show that the two measures have the same basic properties and also share the same qualitative behavior in most of the examples taken into account. However, we also show that they introduce a different relation of order; that is, they are not strictly monotone to each other. We exploit the nG measures for states in order to introduce a measure of nG for quantum operations, to assess Gaussification and de-Gaussification protocols, and to investigate in detail the role played by nG in entanglement-distillation protocols. Besides, we exploit the QRE-based nG measure to provide different insight on the extremality of Gaussian states for some entropic quantities such as conditional entropy, mutual information, and the Holevo bound. We also deal with parameter estimation and present a theorem connecting the QRE nG to the quantum Fisher information. Finally, since evaluation of the QRE nG measure requires the knowledge of the full density matrix, we derive some experimentally friendly lower bounds to nG for some classes of states and by considering the possibility of performing on the states only certain efficient or inefficient measurements.

  4. How Gaussian can our Universe be?

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

    Cabass, G.; Pajer, E.; Schmidt, F., E-mail: giovanni.cabass@roma1.infn.it, E-mail: e.pajer@uu.nl, E-mail: fabians@mpa-garching.mpg.de

    Gravity is a non-linear theory, and hence, barring cancellations, the initial super-horizon perturbations produced by inflation must contain some minimum amount of mode coupling, or primordial non-Gaussianity. In single-field slow-roll models, where this lower bound is saturated, non-Gaussianity is controlled by two observables: the tensor-to-scalar ratio, which is uncertain by more than fifty orders of magnitude; and the scalar spectral index, or tilt, which is relatively well measured. It is well known that to leading and next-to-leading order in derivatives, the contributions proportional to the tilt disappear from any local observable, and suspicion has been raised that this might happenmore » to all orders, allowing for an arbitrarily low amount of primordial non-Gaussianity. Employing Conformal Fermi Coordinates, we show explicitly that this is not the case. Instead, a contribution of order the tilt appears in local observables. In summary, the floor of physical primordial non-Gaussianity in our Universe has a squeezed-limit scaling of k {sub ℓ}{sup 2}/ k {sub s} {sup 2}, similar to equilateral and orthogonal shapes, and a dimensionless amplitude of order 0.1 × ( n {sub s}−1).« less

  5. Large-scale structure non-Gaussianities with modal methods

    NASA Astrophysics Data System (ADS)

    Schmittfull, Marcel

    2016-10-01

    Relying on a separable modal expansion of the bispectrum, the implementation of a fast estimator for the full bispectrum of a 3d particle distribution is presented. The computational cost of accurate bispectrum estimation is negligible relative to simulation evolution, so the bispectrum can be used as a standard diagnostic whenever the power spectrum is evaluated. As an application, the time evolution of gravitational and primordial dark matter bispectra was measured in a large suite of N-body simulations. The bispectrum shape changes characteristically when the cosmic web becomes dominated by filaments and halos, therefore providing a quantitative probe of 3d structure formation. Our measured bispectra are determined by ~ 50 coefficients, which can be used as fitting formulae in the nonlinear regime and for non-Gaussian initial conditions. We also compare the measured bispectra with predictions from the Effective Field Theory of Large Scale Structures (EFTofLSS).

  6. Primordial non-gaussianity from the bispectrum of 21-cm fluctuations in the dark ages

    NASA Astrophysics Data System (ADS)

    Muñoz, Julian B.; Ali-Haïmoud, Yacine; Kamionkowski, Marc

    2015-10-01

    A measurement of primordial non-Gaussianity will be of paramount importance to distinguish between different models of inflation. Cosmic microwave background (CMB) anisotropy observations have set unprecedented bounds on the non-Gaussianity parameter fNL but the interesting regime fNL≲1 is beyond their reach. Brightness-temperature fluctuations in the 21-cm line during the dark ages (z ˜30 - 100 ) are a promising successor to CMB studies, giving access to a much larger number of modes. They are, however, intrinsically nonlinear, which results in secondary non-gaussianities orders of magnitude larger than the sought-after primordial signal. In this paper we carefully compute the primary and secondary bispectra of 21-cm fluctuations on small scales. We use the flat-sky formalism, which greatly simplifies the analysis, while still being very accurate on small angular scales. We show that the secondary bispectrum is highly degenerate with the primordial one, and argue that even percent-level uncertainties in the amplitude of the former lead to a bias of order Δ fNL˜10 . To tackle this problem we carry out a detailed Fisher analysis, marginalizing over the amplitudes of a few smooth redshift-dependent coefficients characterizing the secondary bispectrum. We find that the signal-to-noise ratio for a single redshift slice is reduced by a factor of ˜5 in comparison to a case without secondary non-gaussianities. Setting aside foreground contamination, we forecast that a cosmic-variance-limited experiment observing 21-cm fluctuations over 30 ≤z ≤100 with a 0.1-MHz bandwidth and 0.1 arc min angular resolution could achieve a sensitivity of order fNLlocal˜0.03 , fNLequil˜0.04 and fNLortho˜0.03 .

  7. Efficiency of the human observer for detecting a Gaussian signal at a known location in non-Gaussian distributed lumpy backgrounds.

    PubMed

    Park, Subok; Gallas, Bradon D; Badano, Aldo; Petrick, Nicholas A; Myers, Kyle J

    2007-04-01

    A previous study [J. Opt. Soc. Am. A22, 3 (2005)] has shown that human efficiency for detecting a Gaussian signal at a known location in non-Gaussian distributed lumpy backgrounds is approximately 4%. This human efficiency is much less than the reported 40% efficiency that has been documented for Gaussian-distributed lumpy backgrounds [J. Opt. Soc. Am. A16, 694 (1999) and J. Opt. Soc. Am. A18, 473 (2001)]. We conducted a psychophysical study with a number of changes, specifically in display-device calibration and data scaling, from the design of the aforementioned study. Human efficiency relative to the ideal observer was found again to be approximately 5%. Our variance analysis indicates that neither scaling nor display made a statistically significant difference in human performance for the task. We conclude that the non-Gaussian distributed lumpy background is a major factor in our low human-efficiency results.

  8. a Gaussian Process Based Multi-Person Interaction Model

    NASA Astrophysics Data System (ADS)

    Klinger, T.; Rottensteiner, F.; Heipke, C.

    2016-06-01

    Online multi-person tracking in image sequences is commonly guided by recursive filters, whose predictive models define the expected positions of future states. When a predictive model deviates too much from the true motion of a pedestrian, which is often the case in crowded scenes due to unpredicted accelerations, the data association is prone to fail. In this paper we propose a novel predictive model on the basis of Gaussian Process Regression. The model takes into account the motion of every tracked pedestrian in the scene and the prediction is executed with respect to the velocities of all interrelated persons. As shown by the experiments, the model is capable of yielding more plausible predictions even in the presence of mutual occlusions or missing measurements. The approach is evaluated on a publicly available benchmark and outperforms other state-of-the-art trackers.

  9. Cosine-Gaussian Schell-model sources.

    PubMed

    Mei, Zhangrong; Korotkova, Olga

    2013-07-15

    We introduce a new class of partially coherent sources of Schell type with cosine-Gaussian spectral degree of coherence and confirm that such sources are physically genuine. Further, we derive the expression for the cross-spectral density function of a beam generated by the novel source propagating in free space and analyze the evolution of the spectral density and the spectral degree of coherence. It is shown that at sufficiently large distances from the source the degree of coherence of the propagating beam assumes Gaussian shape while the spectral density takes on the dark-hollow profile.

  10. Semisupervised Gaussian Process for Automated Enzyme Search.

    PubMed

    Mellor, Joseph; Grigoras, Ioana; Carbonell, Pablo; Faulon, Jean-Loup

    2016-06-17

    Synthetic biology is today harnessing the design of novel and greener biosynthesis routes for the production of added-value chemicals and natural products. The design of novel pathways often requires a detailed selection of enzyme sequences to import into the chassis at each of the reaction steps. To address such design requirements in an automated way, we present here a tool for exploring the space of enzymatic reactions. Given a reaction and an enzyme the tool provides a probability estimate that the enzyme catalyzes the reaction. Our tool first considers the similarity of a reaction to known biochemical reactions with respect to signatures around their reaction centers. Signatures are defined based on chemical transformation rules by using extended connectivity fingerprint descriptors. A semisupervised Gaussian process model associated with the similar known reactions then provides the probability estimate. The Gaussian process model uses information about both the reaction and the enzyme in providing the estimate. These estimates were validated experimentally by the application of the Gaussian process model to a newly identified metabolite in Escherichia coli in order to search for the enzymes catalyzing its associated reactions. Furthermore, we show with several pathway design examples how such ability to assign probability estimates to enzymatic reactions provides the potential to assist in bioengineering applications, providing experimental validation to our proposed approach. To the best of our knowledge, the proposed approach is the first application of Gaussian processes dealing with biological sequences and chemicals, the use of a semisupervised Gaussian process framework is also novel in the context of machine learning applied to bioinformatics. However, the ability of an enzyme to catalyze a reaction depends on the affinity between the substrates of the reaction and the enzyme. This affinity is generally quantified by the Michaelis constant KM

  11. Gaussian functional regression for output prediction: Model assimilation and experimental design

    NASA Astrophysics Data System (ADS)

    Nguyen, N. C.; Peraire, J.

    2016-03-01

    In this paper, we introduce a Gaussian functional regression (GFR) technique that integrates multi-fidelity models with model reduction to efficiently predict the input-output relationship of a high-fidelity model. The GFR method combines the high-fidelity model with a low-fidelity model to provide an estimate of the output of the high-fidelity model in the form of a posterior distribution that can characterize uncertainty in the prediction. A reduced basis approximation is constructed upon the low-fidelity model and incorporated into the GFR method to yield an inexpensive posterior distribution of the output estimate. As this posterior distribution depends crucially on a set of training inputs at which the high-fidelity models are simulated, we develop a greedy sampling algorithm to select the training inputs. Our approach results in an output prediction model that inherits the fidelity of the high-fidelity model and has the computational complexity of the reduced basis approximation. Numerical results are presented to demonstrate the proposed approach.

  12. Ince-Gaussian series representation of the two-dimensional fractional Fourier transform.

    PubMed

    Bandres, Miguel A; Gutiérrez-Vega, Julio C

    2005-03-01

    We introduce the Ince-Gaussian series representation of the two-dimensional fractional Fourier transform in elliptical coordinates. A physical interpretation is provided in terms of field propagation in quadratic graded-index media whose eigenmodes in elliptical coordinates are derived for the first time to our knowledge. The kernel of the new series representation is expressed in terms of Ince-Gaussian functions. The equivalence among the Hermite-Gaussian, Laguerre-Gaussian, and Ince-Gaussian series representations is verified by establishing the relation among the three definitions.

  13. Consistency relations for sharp inflationary non-Gaussian features

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

    Mooij, Sander; Palma, Gonzalo A.; Panotopoulos, Grigoris

    If cosmic inflation suffered tiny time-dependent deviations from the slow-roll regime, these would induce the existence of small scale-dependent features imprinted in the primordial spectra, with their shapes and sizes revealing information about the physics that produced them. Small sharp features could be suppressed at the level of the two-point correlation function, making them undetectable in the power spectrum, but could be amplified at the level of the three-point correlation function, offering us a window of opportunity to uncover them in the non-Gaussian bispectrum. In this article, we show that sharp features may be analyzed using only data coming frommore » the three point correlation function parametrizing primordial non-Gaussianity. More precisely, we show that if features appear in a particular non-Gaussian triangle configuration (e.g. equilateral, folded, squeezed), these must reappear in every other configuration according to a specific relation allowing us to correlate features across the non-Gaussian bispectrum. As a result, we offer a method to study scale-dependent features generated during inflation that depends only on data coming from measurements of non-Gaussianity, allowing us to omit data from the power spectrum.« less

  14. The impact of non-Gaussianity upon cosmological forecasts

    NASA Astrophysics Data System (ADS)

    Repp, A.; Szapudi, I.; Carron, J.; Wolk, M.

    2015-12-01

    The primary science driver for 3D galaxy surveys is their potential to constrain cosmological parameters. Forecasts of these surveys' effectiveness typically assume Gaussian statistics for the underlying matter density, despite the fact that the actual distribution is decidedly non-Gaussian. To quantify the effect of this assumption, we employ an analytic expression for the power spectrum covariance matrix to calculate the Fisher information for Baryon Acoustic Oscillation (BAO)-type model surveys. We find that for typical number densities, at kmax = 0.5h Mpc-1, Gaussian assumptions significantly overestimate the information on all parameters considered, in some cases by up to an order of magnitude. However, after marginalizing over a six-parameter set, the form of the covariance matrix (dictated by N-body simulations) causes the majority of the effect to shift to the `amplitude-like' parameters, leaving the others virtually unaffected. We find that Gaussian assumptions at such wavenumbers can underestimate the dark energy parameter errors by well over 50 per cent, producing dark energy figures of merit almost three times too large. Thus, for 3D galaxy surveys probing the non-linear regime, proper consideration of non-Gaussian effects is essential.

  15. On the robustness of the q-Gaussian family

    NASA Astrophysics Data System (ADS)

    Sicuro, Gabriele; Tempesta, Piergiulio; Rodríguez, Antonio; Tsallis, Constantino

    2015-12-01

    We introduce three deformations, called α-, β- and γ-deformation respectively, of a N-body probabilistic model, first proposed by Rodríguez et al. (2008), having q-Gaussians as N → ∞ limiting probability distributions. The proposed α- and β-deformations are asymptotically scale-invariant, whereas the γ-deformation is not. We prove that, for both α- and β-deformations, the resulting deformed triangles still have q-Gaussians as limiting distributions, with a value of q independent (dependent) on the deformation parameter in the α-case (β-case). In contrast, the γ-case, where we have used the celebrated Q-numbers and the Gauss binomial coefficients, yields other limiting probability distribution functions, outside the q-Gaussian family. These results suggest that scale-invariance might play an important role regarding the robustness of the q-Gaussian family.

  16. Weakly anomalous diffusion with non-Gaussian propagators

    NASA Astrophysics Data System (ADS)

    Cressoni, J. C.; Viswanathan, G. M.; Ferreira, A. S.; da Silva, M. A. A.

    2012-08-01

    A poorly understood phenomenon seen in complex systems is diffusion characterized by Hurst exponent H≈1/2 but with non-Gaussian statistics. Motivated by such empirical findings, we report an exact analytical solution for a non-Markovian random walk model that gives rise to weakly anomalous diffusion with H=1/2 but with a non-Gaussian propagator.

  17. Skewness in large-scale structure and non-Gaussian initial conditions

    NASA Technical Reports Server (NTRS)

    Fry, J. N.; Scherrer, Robert J.

    1994-01-01

    We compute the skewness of the galaxy distribution arising from the nonlinear evolution of arbitrary non-Gaussian intial conditions to second order in perturbation theory including the effects of nonlinear biasing. The result contains a term identical to that for a Gaussian initial distribution plus terms which depend on the skewness and kurtosis of the initial conditions. The results are model dependent; we present calculations for several toy models. At late times, the leading contribution from the initial skewness decays away relative to the other terms and becomes increasingly unimportant, but the contribution from initial kurtosis, previously overlooked, has the same time dependence as the Gaussian terms. Observations of a linear dependence of the normalized skewness on the rms density fluctuation therefore do not necessarily rule out initially non-Gaussian models. We also show that with non-Gaussian initial conditions the first correction to linear theory for the mean square density fluctuation is larger than for Gaussian models.

  18. Enhancement of force patterns classification based on Gaussian distributions.

    PubMed

    Ertelt, Thomas; Solomonovs, Ilja; Gronwald, Thomas

    2018-01-23

    Description of the patterns of ground reaction force is a standard method in areas such as medicine, biomechanics and robotics. The fundamental parameter is the time course of the force, which is classified visually in particular in the field of clinical diagnostics. Here, the knowledge and experience of the diagnostician is relevant for its assessment. For an objective and valid discrimination of the ground reaction force pattern, a generic method, especially in the medical field, is absolutely necessary to describe the qualities of the time-course. The aim of the presented method was to combine the approaches of two existing procedures from the fields of machine learning and the Gauss approximation in order to take advantages of both methods for the classification of ground reaction force patterns. The current limitations of both methods could be eliminated by an overarching method. Twenty-nine male athletes from different sports were examined. Each participant was given the task of performing a one-legged stopping maneuver on a force plate from the maximum possible starting speed. The individual time course of the ground reaction force of each subject was registered and approximated on the basis of eight Gaussian distributions. The descriptive coefficients were then classified using Bayesian regulated neural networks. The different sports served as the distinguishing feature. Although the athletes were all given the same task, all sports referred to a different quality in the time course of ground reaction force. Meanwhile within each sport, the athletes were homogeneous. With an overall prediction (R = 0.938) all subjects/sports were classified correctly with 94.29% accuracy. The combination of the two methods: the mathematical description of the time course of ground reaction forces on the basis of Gaussian distributions and their classification by means of Bayesian regulated neural networks, seems an adequate and promising method to discriminate the

  19. Effects of scale-dependent non-Gaussianity on cosmological structures

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

    LoVerde, Marilena; Miller, Amber; Shandera, Sarah

    2008-04-15

    The detection of primordial non-Gaussianity could provide a powerful means to test various inflationary scenarios. Although scale-invariant non-Gaussianity (often described by the f{sub NL} formalism) is currently best constrained by the CMB, single-field models with changing sound speed can have strongly scale-dependent non-Gaussianity. Such models could evade the CMB constraints but still have important effects at scales responsible for the formation of cosmological objects such as clusters and galaxies. We compute the effect of scale-dependent primordial non-Gaussianity on cluster number counts as a function of redshift, using a simple ansatz to model scale-dependent features. We forecast constraints on these modelsmore » achievable with forthcoming datasets. We also examine consequences for the galaxy bispectrum. Our results are relevant for the Dirac-Born-Infeld model of brane inflation, where the scale dependence of the non-Gaussianity is directly related to the geometry of the extra dimensions.« less

  20. Beam wander characteristics of flat-topped, dark hollow, cos and cosh-Gaussian, J0- and I0- Bessel Gaussian beams propagating in turbulent atmosphere: a review

    NASA Astrophysics Data System (ADS)

    Eyyuboğlu, Halil T.; Baykal, Yahya; Çil, Celal Z.; Korotkova, Olga; Cai, Yangjian

    2010-02-01

    In this paper we review our work done in the evaluations of the root mean square (rms) beam wander characteristics of the flat-topped, dark hollow, cos-and cosh Gaussian, J0-Bessel Gaussian and the I0-Bessel Gaussian beams in atmospheric turbulence. Our formulation is based on the wave-treatment approach, where not only the beam sizes but the source beam profiles are taken into account as well. In this approach the first and the second statistical moments are obtained from the Rytov series under weak atmospheric turbulence conditions and the beam size are determined as a function of the propagation distance. It is found that after propagating in atmospheric turbulence, under certain conditions, the collimated flat-topped, dark hollow, cos- and cosh Gaussian, J0-Bessel Gaussian and the I0-Bessel Gaussian beams have smaller rms beam wander compared to that of the Gaussian beam. The beam wander of these beams are analyzed against the propagation distance, source spot sizes, and against specific beam parameters related to the individual beam such as the relative amplitude factors of the constituent beams, the flatness parameters, the beam orders, the displacement parameters, the width parameters, and are compared against the corresponding Gaussian beam.

  1. Persistent homology and non-Gaussianity

    NASA Astrophysics Data System (ADS)

    Cole, Alex; Shiu, Gary

    2018-03-01

    In this paper, we introduce the topological persistence diagram as a statistic for Cosmic Microwave Background (CMB) temperature anisotropy maps. A central concept in 'Topological Data Analysis' (TDA), the idea of persistence is to represent a data set by a family of topological spaces. One then examines how long topological features 'persist' as the family of spaces is traversed. We compute persistence diagrams for simulated CMB temperature anisotropy maps featuring various levels of primordial non-Gaussianity of local type. Postponing the analysis of observational effects, we show that persistence diagrams are more sensitive to local non-Gaussianity than previous topological statistics including the genus and Betti number curves, and can constrain Δ fNLloc= 35.8 at the 68% confidence level on the simulation set, compared to Δ fNLloc= 60.6 for the Betti number curves. Given the resolution of our simulations, we expect applying persistence diagrams to observational data will give constraints competitive with those of the Minkowski Functionals. This is the first in a series of papers where we plan to apply TDA to different shapes of non-Gaussianity in the CMB and Large Scale Structure.

  2. Optimization of spectroscopic surveys for testing non-Gaussianity

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

    Raccanelli, Alvise; Doré, Olivier; Dalal, Neal, E-mail: alvise@caltech.edu, E-mail: Olivier.P.Dore@jpl.nasa.gov, E-mail: dalaln@illinois.edu

    We investigate optimization strategies to measure primordial non-Gaussianity with future spectroscopic surveys. We forecast measurements coming from the 3D galaxy power spectrum and compute constraints on primordial non-Gaussianity parameters f{sub NL} and n{sub NG}. After studying the dependence on those parameters upon survey specifications such as redshift range, area, number density, we assume a reference mock survey and investigate the trade-off between number density and area surveyed. We then define the observational requirements to reach the detection of f{sub NL} of order 1. Our results show that power spectrum constraints on non-Gaussianity from future spectroscopic surveys can improve on currentmore » CMB limits, but the multi-tracer technique and higher order correlations will be needed in order to reach an even better precision in the measurements of the non-Gaussianity parameter f{sub NL}.« less

  3. 3D surface voxel tracing corrector for accurate bone segmentation.

    PubMed

    Guo, Haoyan; Song, Sicong; Wang, Jinke; Guo, Maozu; Cheng, Yuanzhi; Wang, Yadong; Tamura, Shinichi

    2018-06-18

    For extremely close bones, their boundaries are weak and diffused due to strong interaction between adjacent surfaces. These factors prevent the accurate segmentation of bone structure. To alleviate these difficulties, we propose an automatic method for accurate bone segmentation. The method is based on a consideration of the 3D surface normal direction, which is used to detect the bone boundary in 3D CT images. Our segmentation method is divided into three main stages. Firstly, we consider a surface tracing corrector combined with Gaussian standard deviation [Formula: see text] to improve the estimation of normal direction. Secondly, we determine an optimal value of [Formula: see text] for each surface point during this normal direction correction. Thirdly, we construct the 1D signal and refining the rough boundary along the corrected normal direction. The value of [Formula: see text] is used in the first directional derivative of the Gaussian to refine the location of the edge point along accurate normal direction. Because the normal direction is corrected and the value of [Formula: see text] is optimized, our method is robust to noise images and narrow joint space caused by joint degeneration. We applied our method to 15 wrists and 50 hip joints for evaluation. In the wrist segmentation, Dice overlap coefficient (DOC) of [Formula: see text]% was obtained by our method. In the hip segmentation, fivefold cross-validations were performed for two state-of-the-art methods. Forty hip joints were used for training in two state-of-the-art methods, 10 hip joints were used for testing and performing comparisons. The DOCs of [Formula: see text], [Formula: see text]%, and [Formula: see text]% were achieved by our method for the pelvis, the left femoral head and the right femoral head, respectively. Our method was shown to improve segmentation accuracy for several specific challenging cases. The results demonstrate that our approach achieved a superior accuracy over two

  4. Propagation of Ince-Gaussian beams in a thermal lens medium

    NASA Astrophysics Data System (ADS)

    Xu, Ting; Wang, Shaomin

    2006-09-01

    The propagation of Ince-Gaussian beams in a thermal lens medium is studied in this paper. Based on the ABCD matrix for Gaussian beams passing through a thermal lens medium, distinct expressions for the beam transverse intensity distributions and the longitudinal phase shift are deduced and discussed. Similar to Laguerre and Hermite-Gaussian beams, Ince-Gaussian beams, which constitute the third complete family of exact and orthogonal solutions of the paraxial wave equation, can also be used in other inhomogeneous media such as lenslike media and saturated absorption media.

  5. Nested polynomial trends for the improvement of Gaussian process-based predictors

    NASA Astrophysics Data System (ADS)

    Perrin, G.; Soize, C.; Marque-Pucheu, S.; Garnier, J.

    2017-10-01

    The role of simulation keeps increasing for the sensitivity analysis and the uncertainty quantification of complex systems. Such numerical procedures are generally based on the processing of a huge amount of code evaluations. When the computational cost associated with one particular evaluation of the code is high, such direct approaches based on the computer code only, are not affordable. Surrogate models have therefore to be introduced to interpolate the information given by a fixed set of code evaluations to the whole input space. When confronted to deterministic mappings, the Gaussian process regression (GPR), or kriging, presents a good compromise between complexity, efficiency and error control. Such a method considers the quantity of interest of the system as a particular realization of a Gaussian stochastic process, whose mean and covariance functions have to be identified from the available code evaluations. In this context, this work proposes an innovative parametrization of this mean function, which is based on the composition of two polynomials. This approach is particularly relevant for the approximation of strongly non linear quantities of interest from very little information. After presenting the theoretical basis of this method, this work compares its efficiency to alternative approaches on a series of examples.

  6. Free energy calculations, enhanced by a Gaussian ansatz, for the "chemical work" distribution.

    PubMed

    Boulougouris, Georgios C

    2014-05-15

    The evaluation of the free energy is essential in molecular simulation because it is intimately related with the existence of multiphase equilibrium. Recently, it was demonstrated that it is possible to evaluate the Helmholtz free energy using a single statistical ensemble along an entire isotherm by accounting for the "chemical work" of transforming each molecule, from an interacting one, to an ideal gas. In this work, we show that it is possible to perform such a free energy perturbation over a liquid vapor phase transition. Furthermore, we investigate the link between a general free energy perturbation scheme and the novel nonequilibrium theories of Crook's and Jarzinsky. We find that for finite systems away from the thermodynamic limit the second law of thermodynamics will always be an inequality for isothermal free energy perturbations, resulting always to a dissipated work that may tend to zero only in the thermodynamic limit. The work, the heat, and the entropy produced during a thermodynamic free energy perturbation can be viewed in the context of the Crooks and Jarzinsky formalism, revealing that for a given value of the ensemble average of the "irreversible" work, the minimum entropy production corresponded to a Gaussian distribution for the histogram of the work. We propose the evaluation of the free energy difference in any free energy perturbation based scheme on the average irreversible "chemical work" minus the dissipated work that can be calculated from the variance of the distribution of the logarithm of the work histogram, within the Gaussian approximation. As a consequence, using the Gaussian ansatz for the distribution of the "chemical work," accurate estimates for the chemical potential and the free energy of the system can be performed using much shorter simulations and avoiding the necessity of sampling the computational costly tails of the "chemical work." For a more general free energy perturbation scheme that the Gaussian ansatz may not be

  7. Progress in calculating the potential energy surface of H3+.

    PubMed

    Adamowicz, Ludwik; Pavanello, Michele

    2012-11-13

    The most accurate electronic structure calculations are performed using wave function expansions in terms of basis functions explicitly dependent on the inter-electron distances. In our recent work, we use such basis functions to calculate a highly accurate potential energy surface (PES) for the H(3)(+) ion. The functions are explicitly correlated Gaussians, which include inter-electron distances in the exponent. Key to obtaining the high accuracy in the calculations has been the use of the analytical energy gradient determined with respect to the Gaussian exponential parameters in the minimization of the Rayleigh-Ritz variational energy functional. The effective elimination of linear dependences between the basis functions and the automatic adjustment of the positions of the Gaussian centres to the changing molecular geometry of the system are the keys to the success of the computational procedure. After adiabatic and relativistic corrections are added to the PES and with an effective accounting of the non-adiabatic effects in the calculation of the rotational/vibrational states, the experimental H(3)(+) rovibrational spectrum is reproduced at the 0.1 cm(-1) accuracy level up to 16,600 cm(-1) above the ground state.

  8. Connections between Graphical Gaussian Models and Factor Analysis

    ERIC Educational Resources Information Center

    Salgueiro, M. Fatima; Smith, Peter W. F.; McDonald, John W.

    2010-01-01

    Connections between graphical Gaussian models and classical single-factor models are obtained by parameterizing the single-factor model as a graphical Gaussian model. Models are represented by independence graphs, and associations between each manifest variable and the latent factor are measured by factor partial correlations. Power calculations…

  9. Ince Gaussian beams in strongly nonlocal nonlinear media

    NASA Astrophysics Data System (ADS)

    Deng, Dongmei; Guo, Qi

    2008-07-01

    Based on the Snyder-Mitchell model that describes the beam propagation in strongly nonlocal nonlinear media, the close forms of Ince-Gaussian (IG) beams have been found. The transverse structures of the IG beams are described by the product of the Ince polynomials and the Gaussian function. Depending on the input power of the beams, the IG beams can be either a soliton state or a breather state. The IG beams constitute the exact and continuous transition modes between Hermite-Gaussian beams and Laguerre-Gaussian beams. The IG vortex beams can be constructed by a linear combination of the even and odd IG beams. The transverse intensity pattern of IG vortex beams consists of elliptic rings, whose number and ellipticity can be controlled, and a phase displaying a number of in-line vortices, each with a unitary topological charge. The analytical solutions of the IG beams are confirmed by the numerical simulations of the nonlocal nonlinear Schr\\rm \\ddot{o} dinger equation.

  10. Non-Gaussian probabilistic MEG source localisation based on kernel density estimation☆

    PubMed Central

    Mohseni, Hamid R.; Kringelbach, Morten L.; Woolrich, Mark W.; Baker, Adam; Aziz, Tipu Z.; Probert-Smith, Penny

    2014-01-01

    There is strong evidence to suggest that data recorded from magnetoencephalography (MEG) follows a non-Gaussian distribution. However, existing standard methods for source localisation model the data using only second order statistics, and therefore use the inherent assumption of a Gaussian distribution. In this paper, we present a new general method for non-Gaussian source estimation of stationary signals for localising brain activity from MEG data. By providing a Bayesian formulation for MEG source localisation, we show that the source probability density function (pdf), which is not necessarily Gaussian, can be estimated using multivariate kernel density estimators. In the case of Gaussian data, the solution of the method is equivalent to that of widely used linearly constrained minimum variance (LCMV) beamformer. The method is also extended to handle data with highly correlated sources using the marginal distribution of the estimated joint distribution, which, in the case of Gaussian measurements, corresponds to the null-beamformer. The proposed non-Gaussian source localisation approach is shown to give better spatial estimates than the LCMV beamformer, both in simulations incorporating non-Gaussian signals, and in real MEG measurements of auditory and visual evoked responses, where the highly correlated sources are known to be difficult to estimate. PMID:24055702

  11. Realistic continuous-variable quantum teleportation with non-Gaussian resources

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

    Dell'Anno, F.; De Siena, S.; CNR-INFM Coherentia, Napoli, Italy, and CNISM and INFN Sezione di Napoli, Gruppo Collegato di Salerno, Baronissi, SA

    2010-01-15

    We present a comprehensive investigation of nonideal continuous-variable quantum teleportation implemented with entangled non-Gaussian resources. We discuss in a unified framework the main decoherence mechanisms, including imperfect Bell measurements and propagation of optical fields in lossy fibers, applying the formalism of the characteristic function. By exploiting appropriate displacement strategies, we compute analytically the success probability of teleportation for input coherent states and two classes of non-Gaussian entangled resources: two-mode squeezed Bell-like states (that include as particular cases photon-added and photon-subtracted de-Gaussified states), and two-mode squeezed catlike states. We discuss the optimization procedure on the free parameters of the non-Gaussian resourcesmore » at fixed values of the squeezing and of the experimental quantities determining the inefficiencies of the nonideal protocol. It is found that non-Gaussian resources enhance significantly the efficiency of teleportation and are more robust against decoherence than the corresponding Gaussian ones. Partial information on the alphabet of input states allows further significant improvement in the performance of the nonideal teleportation protocol.« less

  12. Compensation of Gaussian curvature in developable cones is local

    NASA Astrophysics Data System (ADS)

    Wang, Jin W.; Witten, Thomas A.

    2009-10-01

    We use the angular deficit scheme [V. Borrelli, F. Cazals, and J.-M. Morvan, Comput. Aided Geom. Des. 20, 319 (2003)] to determine the distribution of Gaussian curvature in developable cones (d-cones) [E. Cerda, S. Chaieb, F. Melo, and L. Mahadevan, Nature (London) 401, 46 (1999)] numerically. These d-cones are formed by pushing a thin elastic sheet into a circular container. Negative Gaussian curvatures are identified at the rim where the sheet touches the container. Around the rim there are two narrow bands with positive Gaussian curvatures. The integral of the (negative) Gaussian curvature near the rim is almost completely compensated by that of the two adjacent bands. This suggests that the Gauss-Bonnet theorem which constrains the integral of Gaussian curvature globally does not explain the spontaneous curvature cancellation phenomenon [T. Liang and T. A. Witten, Phys. Rev. E 73, 046604 (2006)]. The locality of the compensation seems to increase for decreasing d-cone thickness. The angular deficit scheme also provides a way to confirm the curvature cancellation phenomenon.

  13. Fatigue assessment of vibrating rail vehicle bogie components under non-Gaussian random excitations using power spectral densities

    NASA Astrophysics Data System (ADS)

    Wolfsteiner, Peter; Breuer, Werner

    2013-10-01

    The assessment of fatigue load under random vibrations is usually based on load spectra. Typically they are computed with counting methods (e.g. Rainflow) based on a time domain signal. Alternatively methods are available (e.g. Dirlik) enabling the estimation of load spectra directly from power spectral densities (PSDs) of the corresponding time signals; the knowledge of the time signal is then not necessary. These PSD based methods have the enormous advantage that if for example the signal to assess results from a finite element method based vibration analysis, the computation time of the simulation of PSDs in the frequency domain outmatches by far the simulation of time signals in the time domain. This is especially true for random vibrations with very long signals in the time domain. The disadvantage of the PSD based simulation of vibrations and also the PSD based load spectra estimation is their limitation to Gaussian distributed time signals. Deviations from this Gaussian distribution cause relevant deviations in the estimated load spectra. In these cases usually only computation time intensive time domain calculations produce accurate results. This paper presents a method dealing with non-Gaussian signals with real statistical properties that is still able to use the efficient PSD approach with its computation time advantages. Essentially it is based on a decomposition of the non-Gaussian signal in Gaussian distributed parts. The PSDs of these rearranged signals are then used to perform usual PSD analyses. In particular, detailed methods are described for the decomposition of time signals and the derivation of PSDs and cross power spectral densities (CPSDs) from multiple real measurements without using inaccurate standard procedures. Furthermore the basic intention is to design a general and integrated method that is not just able to analyse a certain single load case for a small time interval, but to generate representative PSD and CPSD spectra replacing

  14. On the Least-Squares Fitting of Slater-Type Orbitals with Gaussians: Reproduction of the STO-NG Fits Using Microsoft Excel and Maple

    ERIC Educational Resources Information Center

    Pye, Cory C.; Mercer, Colin J.

    2012-01-01

    The symbolic algebra program Maple and the spreadsheet Microsoft Excel were used in an attempt to reproduce the Gaussian fits to a Slater-type orbital, required to construct the popular STO-NG basis sets. The successes and pitfalls encountered in such an approach are chronicled. (Contains 1 table and 3 figures.)

  15. Gaussian signal relaxation around spin echoes: Implications for precise reversible transverse relaxation quantification of pulmonary tissue at 1.5 and 3 Tesla.

    PubMed

    Zapp, Jascha; Domsch, Sebastian; Weingärtner, Sebastian; Schad, Lothar R

    2017-05-01

    To characterize the reversible transverse relaxation in pulmonary tissue and to study the benefit of a quadratic exponential (Gaussian) model over the commonly used linear exponential model for increased quantification precision. A point-resolved spectroscopy sequence was used for comprehensive sampling of the relaxation around spin echoes. Measurements were performed in an ex vivo tissue sample and in healthy volunteers at 1.5 Tesla (T) and 3 T. The goodness of fit using χred2 and the precision of the fitted relaxation time by means of its confidence interval were compared between the two relaxation models. The Gaussian model provides enhanced descriptions of pulmonary relaxation with lower χred2 by average factors of 4 ex vivo and 3 in volunteers. The Gaussian model indicates higher sensitivity to tissue structure alteration with increased precision of reversible transverse relaxation time measurements also by average factors of 4 ex vivo and 3 in volunteers. The mean relaxation times of the Gaussian model in volunteers are T2,G' = (1.97 ± 0.27) msec at 1.5 T and T2,G' = (0.83 ± 0.21) msec at 3 T. Pulmonary signal relaxation was found to be accurately modeled as Gaussian, providing a potential biomarker T2,G' with high sensitivity. Magn Reson Med 77:1938-1945, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

  16. Coherence of the vortex Bessel-Gaussian beam in turbulent atmosphere

    NASA Astrophysics Data System (ADS)

    Lukin, Igor P.

    2017-11-01

    In this paper the theoretical research of coherent properties of the vortex Bessel-Gaussian optical beams propagating in turbulent atmosphere are developed. The approach to the analysis of this problem is based on the analytical solution of the equation for the transverse second-order mutual coherence function of a field of optical radiation. The behavior of integral scale of coherence degree of vortex Bessel-Gaussian optical beams depending on parameters of an optical beam and characteristics of turbulent atmosphere is particularly considered. It is shown that the integral scale of coherence degree of a vortex Bessel-Gaussian optical beam essentially depends on value of a topological charge of a vortex optical beam. With increase in a topological charge of a vortex Bessel-Gaussian optical beam the value of integral scale of coherence degree of a vortex Bessel-Gaussian optical beam are decreased.

  17. Renyi entropy measures of heart rate Gaussianity.

    PubMed

    Lake, Douglas E

    2006-01-01

    Sample entropy and approximate entropy are measures that have been successfully utilized to study the deterministic dynamics of heart rate (HR). A complementary stochastic point of view and a heuristic argument using the Central Limit Theorem suggests that the Gaussianity of HR is a complementary measure of the physiological complexity of the underlying signal transduction processes. Renyi entropy (or q-entropy) is a widely used measure of Gaussianity in many applications. Particularly important members of this family are differential (or Shannon) entropy (q = 1) and quadratic entropy (q = 2). We introduce the concepts of differential and conditional Renyi entropy rate and, in conjunction with Burg's theorem, develop a measure of the Gaussianity of a linear random process. Robust algorithms for estimating these quantities are presented along with estimates of their standard errors.

  18. Gaussian Curvature Directs Stress Fiber Orientation and Cell Migration.

    PubMed

    Bade, Nathan D; Xu, Tina; Kamien, Randall D; Assoian, Richard K; Stebe, Kathleen J

    2018-03-27

    We show that substrates with nonzero Gaussian curvature influence the organization of stress fibers and direct the migration of cells. To study the role of Gaussian curvature, we developed a sphere-with-skirt surface in which a positive Gaussian curvature spherical cap is seamlessly surrounded by a negative Gaussian curvature draping skirt, both with principal radii similar to cell-length scales. We find significant reconfiguration of two subpopulations of stress fibers when fibroblasts are exposed to these curvatures. Apical stress fibers in cells on skirts align in the radial direction and avoid bending by forming chords across the concave gap, whereas basal stress fibers bend along the convex direction. Cell migration is also strongly influenced by the Gaussian curvature. Real-time imaging shows that cells migrating on skirts repolarize to establish a leading edge in the azimuthal direction. Thereafter, they migrate in that direction. This behavior is notably different from migration on planar surfaces, in which cells typically migrate in the same direction as the apical stress fiber orientation. Thus, this platform reveals that nonzero Gaussian curvature not only affects the positioning of cells and alignment of stress fiber subpopulations but also directs migration in a manner fundamentally distinct from that of migration on planar surfaces. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  19. S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.

    PubMed

    Chaudret, Robin; Gresh, Nohad; Narth, Christophe; Lagardère, Louis; Darden, Thomas A; Cisneros, G Andrés; Piquemal, Jean-Philip

    2014-09-04

    We demonstrate as a proof of principle the capabilities of a novel hybrid MM'/MM polarizable force field to integrate short-range quantum effects in molecular mechanics (MM) through the use of Gaussian electrostatics. This lead to a further gain in accuracy in the representation of the first coordination shell of metal ions. It uses advanced electrostatics and couples two point dipole polarizable force fields, namely, the Gaussian electrostatic model (GEM), a model based on density fitting, which uses fitted electronic densities to evaluate nonbonded interactions, and SIBFA (sum of interactions between fragments ab initio computed), which resorts to distributed multipoles. To understand the benefits of the use of Gaussian electrostatics, we evaluate first the accuracy of GEM, which is a pure density-based Gaussian electrostatics model on a test Ca(II)-H2O complex. GEM is shown to further improve the agreement of MM polarization with ab initio reference results. Indeed, GEM introduces nonclassical effects by modeling the short-range quantum behavior of electric fields and therefore enables a straightforward (and selective) inclusion of the sole overlap-dependent exchange-polarization repulsive contribution by means of a Gaussian damping function acting on the GEM fields. The S/G-1 scheme is then introduced. Upon limiting the use of Gaussian electrostatics to metal centers only, it is shown to be able to capture the dominant quantum effects at play on the metal coordination sphere. S/G-1 is able to accurately reproduce ab initio total interaction energies within closed-shell metal complexes regarding each individual contribution including the separate contributions of induction, polarization, and charge-transfer. Applications of the method are provided for various systems including the HIV-1 NCp7-Zn(II) metalloprotein. S/G-1 is then extended to heavy metal complexes. Tested on Hg(II) water complexes, S/G-1 is shown to accurately model polarization up to quadrupolar

  20. Testing the mutual information expansion of entropy with multivariate Gaussian distributions.

    PubMed

    Goethe, Martin; Fita, Ignacio; Rubi, J Miguel

    2017-12-14

    The mutual information expansion (MIE) represents an approximation of the configurational entropy in terms of low-dimensional integrals. It is frequently employed to compute entropies from simulation data of large systems, such as macromolecules, for which brute-force evaluation of the full configurational integral is intractable. Here, we test the validity of MIE for systems consisting of more than m = 100 degrees of freedom (dofs). The dofs are distributed according to multivariate Gaussian distributions which were generated from protein structures using a variant of the anisotropic network model. For the Gaussian distributions, we have semi-analytical access to the configurational entropy as well as to all contributions of MIE. This allows us to accurately assess the validity of MIE for different situations. We find that MIE diverges for systems containing long-range correlations which means that the error of consecutive MIE approximations grows with the truncation order n for all tractable n ≪ m. This fact implies severe limitations on the applicability of MIE, which are discussed in the article. For systems with correlations that decay exponentially with distance, MIE represents an asymptotic expansion of entropy, where the first successive MIE approximations approach the exact entropy, while MIE also diverges for larger orders. In this case, MIE serves as a useful entropy expansion when truncated up to a specific truncation order which depends on the correlation length of the system.

  1. Steady states of OQBM: Central Limit Theorem, Gaussian and non-Gaussian behavior

    NASA Astrophysics Data System (ADS)

    Petruccione, Francesco; Sinayskiy, Ilya

    Open Quantum Brownian Motion (OQBM) describes a Brownian particle with an additional internal quantum degree of freedom. Originally, it was introduced as a scaling limit of Open Quantum Walks (OQWs). Recently, it was noted, that for the model of free OQBM with a two-level system as an internal degree of freedom and decoherent coupling to a dissipative environment, one could use weak external driving of the internal degree of freedom to manipulate the steady-state position of the walker. This observation establishes a useful connection between controllable parameters of the OQBM, e.g. driving strengths and magnitude of detuning, and its steady state properties. Although OQWs satisfy a central limit theorem (CLT), it is known, that OQBM, in general, does not. The aim of this work is to derive steady states for some particular OQBMs and observe possible transitions from Gaussian to non-Gaussian behavior depending on the choice of quantum coin and as a function of diffusion coefficient and dissipation strength.

  2. Data from fitting Gaussian process models to various data sets using eight Gaussian process software packages.

    PubMed

    Erickson, Collin B; Ankenman, Bruce E; Sanchez, Susan M

    2018-06-01

    This data article provides the summary data from tests comparing various Gaussian process software packages. Each spreadsheet represents a single function or type of function using a particular input sample size. In each spreadsheet, a row gives the results for a particular replication using a single package. Within each spreadsheet there are the results from eight Gaussian process model-fitting packages on five replicates of the surface. There is also one spreadsheet comparing the results from two packages performing stochastic kriging. These data enable comparisons between the packages to determine which package will give users the best results.

  3. Angle-domain common-image gathers from anisotropic Gaussian beam migration and its application to anisotropy-induced imaging errors analysis

    NASA Astrophysics Data System (ADS)

    Han, Jianguang; Wang, Yun; Yu, Changqing; Chen, Peng

    2017-02-01

    An approach for extracting angle-domain common-image gathers (ADCIGs) from anisotropic Gaussian beam prestack depth migration (GB-PSDM) is presented in this paper. The propagation angle is calculated in the process of migration using the real-value traveltime information of Gaussian beam. Based on the above, we further investigate the effects of anisotropy on GB-PSDM, where the corresponding ADCIGs are extracted to assess the quality of migration images. The test results of the VTI syncline model and the TTI thrust sheet model show that anisotropic parameters ɛ, δ, and tilt angle 𝜃, have a great influence on the accuracy of the migrated image in anisotropic media, and ignoring any one of them will cause obvious imaging errors. The anisotropic GB-PSDM with the true anisotropic parameters can obtain more accurate seismic images of subsurface structures in anisotropic media.

  4. Generation of hollow Gaussian beams by spatial filtering

    NASA Astrophysics Data System (ADS)

    Liu, Zhengjun; Zhao, Haifa; Liu, Jianlong; Lin, Jie; Ashfaq Ahmad, Muhammad; Liu, Shutian

    2007-08-01

    We demonstrate that hollow Gaussian beams can be obtained from Fourier transform of the differentials of a Gaussian beam, and thus they can be generated by spatial filtering in the Fourier domain with spatial filters that consist of binomial combinations of even-order Hermite polynomials. A typical 4f optical system and a Michelson interferometer type system are proposed to implement the proposed scheme. Numerical results have proved the validity and effectiveness of this method. Furthermore, other polynomial Gaussian beams can also be generated by using this scheme. This approach is simple and may find significant applications in generating the dark hollow beams for nanophotonic technology.

  5. Generation of hollow Gaussian beams by spatial filtering.

    PubMed

    Liu, Zhengjun; Zhao, Haifa; Liu, Jianlong; Lin, Jie; Ahmad, Muhammad Ashfaq; Liu, Shutian

    2007-08-01

    We demonstrate that hollow Gaussian beams can be obtained from Fourier transform of the differentials of a Gaussian beam, and thus they can be generated by spatial filtering in the Fourier domain with spatial filters that consist of binomial combinations of even-order Hermite polynomials. A typical 4f optical system and a Michelson interferometer type system are proposed to implement the proposed scheme. Numerical results have proved the validity and effectiveness of this method. Furthermore, other polynomial Gaussian beams can also be generated by using this scheme. This approach is simple and may find significant applications in generating the dark hollow beams for nanophotonic technology.

  6. Gaussian entanglement generation from coherence using beam-splitters

    PubMed Central

    Wang, Zhong-Xiao; Wang, Shuhao; Ma, Teng; Wang, Tie-Jun; Wang, Chuan

    2016-01-01

    The generation and quantification of quantum entanglement is crucial for quantum information processing. Here we study the transition of Gaussian correlation under the effect of linear optical beam-splitters. We find the single-mode Gaussian coherence acts as the resource in generating Gaussian entanglement for two squeezed states as the input states. With the help of consecutive beam-splitters, single-mode coherence and quantum entanglement can be converted to each other. Our results reveal that by using finite number of beam-splitters, it is possible to extract all the entanglement from the single-mode coherence even if the entanglement is wiped out before each beam-splitter. PMID:27892537

  7. Synthetic Incoherence via Scanned Gaussian Beams

    PubMed Central

    Levine, Zachary H.

    2006-01-01

    Tomography, in most formulations, requires an incoherent signal. For a conventional transmission electron microscope, the coherence of the beam often results in diffraction effects that limit the ability to perform a 3D reconstruction from a tilt series with conventional tomographic reconstruction algorithms. In this paper, an analytic solution is given to a scanned Gaussian beam, which reduces the beam coherence to be effectively incoherent for medium-size (of order 100 voxels thick) tomographic applications. The scanned Gaussian beam leads to more incoherence than hollow-cone illumination. PMID:27274945

  8. A classification of open Gaussian dynamics

    NASA Astrophysics Data System (ADS)

    Grimmer, Daniel; Brown, Eric; Kempf, Achim; Mann, Robert B.; Martín-Martínez, Eduardo

    2018-06-01

    We introduce a classification scheme for the generators of bosonic open Gaussian dynamics, providing instructive diagrams description for each type of dynamics. Using this classification, we discuss the consequences of imposing complete positivity on Gaussian dynamics. In particular, we show that non-symplectic operations must be active to allow for complete positivity. In addition, non-symplectic operations can, in fact, conserve the volume of phase space only if the restriction of complete positivity is lifted. We then discuss the implications for the relationship between information and energy flows in open quantum mechanics.

  9. Simple proof that Gaussian attacks are optimal among collective attacks against continuous-variable quantum key distribution with a Gaussian modulation

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

    Leverrier, Anthony; Grangier, Philippe; Laboratoire Charles Fabry, Institut d'Optique, CNRS, University Paris-Sud, Campus Polytechnique, RD 128, F-91127 Palaiseau Cedex

    2010-06-15

    In this article, we give a simple proof of the fact that the optimal collective attacks against continuous-variable quantum key distribution with a Gaussian modulation are Gaussian attacks. Our proof, which makes use of symmetry properties of the protocol in phase space, is particularly relevant for the finite-key analysis of the protocol and therefore for practical applications.

  10. Distillation of squeezing from non-Gaussian quantum states.

    PubMed

    Heersink, J; Marquardt, Ch; Dong, R; Filip, R; Lorenz, S; Leuchs, G; Andersen, U L

    2006-06-30

    We show that single copy distillation of squeezing from continuous variable non-Gaussian states is possible using linear optics and conditional homodyne detection. A specific non-Gaussian noise source, corresponding to a random linear displacement, is investigated experimentally. Conditioning the signal on a tap measurement, we observe probabilistic recovery of squeezing.

  11. Integral momenta of vortex Bessel-Gaussian beams in turbulent atmosphere.

    PubMed

    Lukin, Igor P

    2016-04-20

    The orbital angular momentum of vortex Bessel-Gaussian beams propagating in turbulent atmosphere is studied theoretically. The field of an optical beam is determined through the solution of the paraxial wave equation for a randomly inhomogeneous medium with fluctuations of the refraction index of the turbulent atmosphere. Peculiarities in the behavior of the total power of the vortex Bessel-Gaussian beam at the receiver (or transmitter) are examined. The dependence of the total power of the vortex Bessel-Gaussian beam on optical beam parameters, namely, the transverse wave number of optical radiation, amplitude factor radius, and, especially, topological charge of the optical beam, is analyzed in detail. It turns out that the mean value of the orbital angular momentum of the vortex Bessel-Gaussian beam remains constant during propagation in the turbulent atmosphere. It is shown that the variance of fluctuations of the orbital angular momentum of the vortex Bessel-Gaussian beam propagating in turbulent atmosphere calculated with the "mean-intensity" approximation is equal to zero identically. Thus, it is possible to declare confidently that the variance of fluctuations of the orbital angular momentum of the vortex Bessel-Gaussian beam in turbulent atmosphere is not very large.

  12. An accurate automated technique for quasi-optics measurement of the microwave diagnostics for fusion plasma

    NASA Astrophysics Data System (ADS)

    Hu, Jianqiang; Liu, Ahdi; Zhou, Chu; Zhang, Xiaohui; Wang, Mingyuan; Zhang, Jin; Feng, Xi; Li, Hong; Xie, Jinlin; Liu, Wandong; Yu, Changxuan

    2017-08-01

    A new integrated technique for fast and accurate measurement of the quasi-optics, especially for the microwave/millimeter wave diagnostic systems of fusion plasma, has been developed. Using the LabVIEW-based comprehensive scanning system, we can realize not only automatic but also fast and accurate measurement, which will help to eliminate the effects of temperature drift and standing wave/multi-reflection. With the Matlab-based asymmetric two-dimensional Gaussian fitting method, all the desired parameters of the microwave beam can be obtained. This technique can be used in the design and testing of microwave diagnostic systems such as reflectometers and the electron cyclotron emission imaging diagnostic systems of the Experimental Advanced Superconducting Tokamak.

  13. EXACT DISTRIBUTIONS OF INTRACLASS CORRELATION AND CRONBACH'S ALPHA WITH GAUSSIAN DATA AND GENERAL COVARIANCE.

    PubMed

    Kistner, Emily O; Muller, Keith E

    2004-09-01

    Intraclass correlation and Cronbach's alpha are widely used to describe reliability of tests and measurements. Even with Gaussian data, exact distributions are known only for compound symmetric covariance (equal variances and equal correlations). Recently, large sample Gaussian approximations were derived for the distribution functions. New exact results allow calculating the exact distribution function and other properties of intraclass correlation and Cronbach's alpha, for Gaussian data with any covariance pattern, not just compound symmetry. Probabilities are computed in terms of the distribution function of a weighted sum of independent chi-square random variables. New F approximations for the distribution functions of intraclass correlation and Cronbach's alpha are much simpler and faster to compute than the exact forms. Assuming the covariance matrix is known, the approximations typically provide sufficient accuracy, even with as few as ten observations. Either the exact or approximate distributions may be used to create confidence intervals around an estimate of reliability. Monte Carlo simulations led to a number of conclusions. Correctly assuming that the covariance matrix is compound symmetric leads to accurate confidence intervals, as was expected from previously known results. However, assuming and estimating a general covariance matrix produces somewhat optimistically narrow confidence intervals with 10 observations. Increasing sample size to 100 gives essentially unbiased coverage. Incorrectly assuming compound symmetry leads to pessimistically large confidence intervals, with pessimism increasing with sample size. In contrast, incorrectly assuming general covariance introduces only a modest optimistic bias in small samples. Hence the new methods seem preferable for creating confidence intervals, except when compound symmetry definitely holds.

  14. Self-assembled structures of Gaussian nematic particles.

    PubMed

    Nikoubashman, Arash; Likos, Christos N

    2010-03-17

    We investigate the stable crystalline configurations of a nematic liquid crystal made of soft parallel ellipsoidal particles interacting via a repulsive, anisotropic Gaussian potential. For this purpose, we use genetic algorithms (GA) in order to predict all relevant and possible solid phase candidates into which this fluid can freeze. Subsequently we present and discuss the emerging novel structures and the resulting zero-temperature phase diagram of this system. The latter features a variety of crystalline arrangements, in which the elongated Gaussian particles in general do not align with any one of the high-symmetry crystallographic directions, a compromise arising from the interplay and competition between anisotropic repulsions and crystal ordering. Only at very strong degrees of elongation does a tendency of the Gaussian nematics to align with the longest axis of the elementary unit cell emerge.

  15. Unitarily localizable entanglement of Gaussian states

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

    Serafini, Alessio; Adesso, Gerardo; Illuminati, Fabrizio

    2005-03-01

    We consider generic (mxn)-mode bipartitions of continuous-variable systems, and study the associated bisymmetric multimode Gaussian states. They are defined as (m+n)-mode Gaussian states invariant under local mode permutations on the m-mode and n-mode subsystems. We prove that such states are equivalent, under local unitary transformations, to the tensor product of a two-mode state and of m+n-2 uncorrelated single-mode states. The entanglement between the m-mode and the n-mode blocks can then be completely concentrated on a single pair of modes by means of local unitary operations alone. This result allows us to prove that the PPT (positivity of the partial transpose)more » condition is necessary and sufficient for the separability of (m+n)-mode bisymmetric Gaussian states. We determine exactly their negativity and identify a subset of bisymmetric states whose multimode entanglement of formation can be computed analytically. We consider explicit examples of pure and mixed bisymmetric states and study their entanglement scaling with the number of modes.« less

  16. Stable Lévy motion with inverse Gaussian subordinator

    NASA Astrophysics Data System (ADS)

    Kumar, A.; Wyłomańska, A.; Gajda, J.

    2017-09-01

    In this paper we study the stable Lévy motion subordinated by the so-called inverse Gaussian process. This process extends the well known normal inverse Gaussian (NIG) process introduced by Barndorff-Nielsen, which arises by subordinating ordinary Brownian motion (with drift) with inverse Gaussian process. The NIG process found many interesting applications, especially in financial data description. We discuss here the main features of the introduced subordinated process, such as distributional properties, existence of fractional order moments and asymptotic tail behavior. We show the connection of the process with continuous time random walk. Further, the governing fractional partial differential equations for the probability density function is also obtained. Moreover, we discuss the asymptotic distribution of sample mean square displacement, the main tool in detection of anomalous diffusion phenomena (Metzler et al., 2014). In order to apply the stable Lévy motion time-changed by inverse Gaussian subordinator we propose a step-by-step procedure of parameters estimation. At the end, we show how the examined process can be useful to model financial time series.

  17. Controllable gaussian-qubit interface for extremal quantum state engineering.

    PubMed

    Adesso, Gerardo; Campbell, Steve; Illuminati, Fabrizio; Paternostro, Mauro

    2010-06-18

    We study state engineering through bilinear interactions between two remote qubits and two-mode gaussian light fields. The attainable two-qubit states span the entire physically allowed region in the entanglement-versus-global-purity plane. Two-mode gaussian states with maximal entanglement at fixed global and marginal entropies produce maximally entangled two-qubit states in the corresponding entropic diagram. We show that a small set of parameters characterizing extremally entangled two-mode gaussian states is sufficient to control the engineering of extremally entangled two-qubit states, which can be realized in realistic matter-light scenarios.

  18. Quantum Teamwork for Unconditional Multiparty Communication with Gaussian States

    NASA Astrophysics Data System (ADS)

    Zhang, Jing; Adesso, Gerardo; Xie, Changde; Peng, Kunchi

    2009-08-01

    We demonstrate the capability of continuous variable Gaussian states to communicate multipartite quantum information. A quantum teamwork protocol is presented according to which an arbitrary possibly entangled multimode state can be faithfully teleported between two teams each comprising many cooperative users. We prove that N-mode Gaussian weighted graph states exist for arbitrary N that enable unconditional quantum teamwork implementations for any arrangement of the teams. These perfect continuous variable maximally multipartite entangled resources are typical among pure Gaussian states and are unaffected by the entanglement frustration occurring in multiqubit states.

  19. Inflation in random Gaussian landscapes

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

    Masoumi, Ali; Vilenkin, Alexander; Yamada, Masaki, E-mail: ali@cosmos.phy.tufts.edu, E-mail: vilenkin@cosmos.phy.tufts.edu, E-mail: Masaki.Yamada@tufts.edu

    2017-05-01

    We develop analytic and numerical techniques for studying the statistics of slow-roll inflation in random Gaussian landscapes. As an illustration of these techniques, we analyze small-field inflation in a one-dimensional landscape. We calculate the probability distributions for the maximal number of e-folds and for the spectral index of density fluctuations n {sub s} and its running α {sub s} . These distributions have a universal form, insensitive to the correlation function of the Gaussian ensemble. We outline possible extensions of our methods to a large number of fields and to models of large-field inflation. These methods do not suffer frommore » potential inconsistencies inherent in the Brownian motion technique, which has been used in most of the earlier treatments.« less

  20. Non-Markovian dynamics of single- and two-qubit systems interacting with Gaussian and non-Gaussian fluctuating transverse environments

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

    Rossi, Matteo A. C., E-mail: matteo.rossi@unimi.it; Paris, Matteo G. A., E-mail: matteo.paris@fisica.unimi.it; CNISM, Unità Milano Statale, I-20133 Milano

    2016-01-14

    We address the interaction of single- and two-qubit systems with an external transverse fluctuating field and analyze in detail the dynamical decoherence induced by Gaussian noise and random telegraph noise (RTN). Upon exploiting the exact RTN solution of the time-dependent von Neumann equation, we analyze in detail the behavior of quantum correlations and prove the non-Markovianity of the dynamical map in the full parameter range, i.e., for either fast or slow noise. The dynamics induced by Gaussian noise is studied numerically and compared to the RTN solution, showing the existence of (state dependent) regions of the parameter space where themore » two noises lead to very similar dynamics. We show that the effects of RTN noise and of Gaussian noise are different, i.e., the spectrum alone is not enough to summarize the noise effects, but the dynamics under the effect of one kind of noise may be simulated with high fidelity by the other one.« less

  1. Investigation of non-Gaussian effects in the Brazilian option market

    NASA Astrophysics Data System (ADS)

    Sosa-Correa, William O.; Ramos, Antônio M. T.; Vasconcelos, Giovani L.

    2018-04-01

    An empirical study of the Brazilian option market is presented in light of three option pricing models, namely the Black-Scholes model, the exponential model, and a model based on a power law distribution, the so-called q-Gaussian distribution or Tsallis distribution. It is found that the q-Gaussian model performs better than the Black-Scholes model in about one third of the option chains analyzed. But among these cases, the exponential model performs better than the q-Gaussian model in 75% of the time. The superiority of the exponential model over the q-Gaussian model is particularly impressive for options close to the expiration date, where its success rate rises above ninety percent.

  2. Probability density and exceedance rate functions of locally Gaussian turbulence

    NASA Technical Reports Server (NTRS)

    Mark, W. D.

    1989-01-01

    A locally Gaussian model of turbulence velocities is postulated which consists of the superposition of a slowly varying strictly Gaussian component representing slow temporal changes in the mean wind speed and a more rapidly varying locally Gaussian turbulence component possessing a temporally fluctuating local variance. Series expansions of the probability density and exceedance rate functions of the turbulence velocity model, based on Taylor's series, are derived. Comparisons of the resulting two-term approximations with measured probability density and exceedance rate functions of atmospheric turbulence velocity records show encouraging agreement, thereby confirming the consistency of the measured records with the locally Gaussian model. Explicit formulas are derived for computing all required expansion coefficients from measured turbulence records.

  3. Swings and roundabouts: optical Poincaré spheres for polarization and Gaussian beams

    NASA Astrophysics Data System (ADS)

    Dennis, M. R.; Alonso, M. A.

    2017-02-01

    The connection between Poincaré spheres for polarization and Gaussian beams is explored, focusing on the interpretation of elliptic polarization in terms of the isotropic two-dimensional harmonic oscillator in Hamiltonian mechanics, its canonical quantization and semiclassical interpretation. This leads to the interpretation of structured Gaussian modes, the Hermite-Gaussian, Laguerre-Gaussian and generalized Hermite-Laguerre-Gaussian modes as eigenfunctions of operators corresponding to the classical constants of motion of the two-dimensional oscillator, which acquire an extra significance as families of classical ellipses upon semiclassical quantization. This article is part of the themed issue 'Optical orbital angular momentum'.

  4. Accurate diblock copolymer phase boundaries at strong segregations

    NASA Astrophysics Data System (ADS)

    Matsen, M. W.; Whitmore, M. D.

    1996-12-01

    We examine the lamellar/cylinder and cylinder/sphere phase boundaries for strongly segregated diblock copolymer melts using self-consistent-field theory (SCFT) and the standard Gaussian chain model. Calculations are performed with and without the conventional unit-cell approximation (UCA). We find that for strongly segregated melts, the UCA simply produces a small constant shift in each of the phase boundaries. Furthermore, the boundaries are found to be linear at strong segregations when plotted versus (χN)-1, which allows for accurate extrapolations to χN=∞. Our calculations using the UCA allow direct comparisons to strong-segregation theory (SST), which is accepted as the χN=∞ limit of SCFT. A significant discrepancy between the SST and SCFT results indicate otherwise, suggesting that the present formulation of SST is incomplete.

  5. Automatic image equalization and contrast enhancement using Gaussian mixture modeling.

    PubMed

    Celik, Turgay; Tjahjadi, Tardi

    2012-01-01

    In this paper, we propose an adaptive image equalization algorithm that automatically enhances the contrast in an input image. The algorithm uses the Gaussian mixture model to model the image gray-level distribution, and the intersection points of the Gaussian components in the model are used to partition the dynamic range of the image into input gray-level intervals. The contrast equalized image is generated by transforming the pixels' gray levels in each input interval to the appropriate output gray-level interval according to the dominant Gaussian component and the cumulative distribution function of the input interval. To take account of the hypothesis that homogeneous regions in the image represent homogeneous silences (or set of Gaussian components) in the image histogram, the Gaussian components with small variances are weighted with smaller values than the Gaussian components with larger variances, and the gray-level distribution is also used to weight the components in the mapping of the input interval to the output interval. Experimental results show that the proposed algorithm produces better or comparable enhanced images than several state-of-the-art algorithms. Unlike the other algorithms, the proposed algorithm is free of parameter setting for a given dynamic range of the enhanced image and can be applied to a wide range of image types.

  6. Skewness and kurtosis analysis for non-Gaussian distributions

    NASA Astrophysics Data System (ADS)

    Celikoglu, Ahmet; Tirnakli, Ugur

    2018-06-01

    In this paper we address a number of pitfalls regarding the use of kurtosis as a measure of deviations from the Gaussian. We treat kurtosis in both its standard definition and that which arises in q-statistics, namely q-kurtosis. We have recently shown that the relation proposed by Cristelli et al. (2012) between skewness and kurtosis can only be verified for relatively small data sets, independently of the type of statistics chosen; however it fails for sufficiently large data sets, if the fourth moment of the distribution is finite. For infinite fourth moments, kurtosis is not defined as the size of the data set tends to infinity. For distributions with finite fourth moments, the size, N, of the data set for which the standard kurtosis saturates to a fixed value, depends on the deviation of the original distribution from the Gaussian. Nevertheless, using kurtosis as a criterion for deciding which distribution deviates further from the Gaussian can be misleading for small data sets, even for finite fourth moment distributions. Going over to q-statistics, we find that although the value of q-kurtosis is finite in the range of 0 < q < 3, this quantity is not useful for comparing different non-Gaussian distributed data sets, unless the appropriate q value, which truly characterizes the data set of interest, is chosen. Finally, we propose a method to determine the correct q value and thereby to compute the q-kurtosis of q-Gaussian distributed data sets.

  7. An auxiliary adaptive Gaussian mixture filter applied to flowrate allocation using real data from a multiphase producer

    NASA Astrophysics Data System (ADS)

    Lorentzen, Rolf J.; Stordal, Andreas S.; Hewitt, Neal

    2017-05-01

    Flowrate allocation in production wells is a complicated task, especially for multiphase flow combined with several reservoir zones and/or branches. The result depends heavily on the available production data, and the accuracy of these. In the application we show here, downhole pressure and temperature data are available, in addition to the total flowrates at the wellhead. The developed methodology inverts these observations to the fluid flowrates (oil, water and gas) that enters two production branches in a real full-scale producer. A major challenge is accurate estimation of flowrates during rapid variations in the well, e.g. due to choke adjustments. The Auxiliary Sequential Importance Resampling (ASIR) filter was developed to handle such challenges, by introducing an auxiliary step, where the particle weights are recomputed (second weighting step) based on how well the particles reproduce the observations. However, the ASIR filter suffers from large computational time when the number of unknown parameters increase. The Gaussian Mixture (GM) filter combines a linear update, with the particle filters ability to capture non-Gaussian behavior. This makes it possible to achieve good performance with fewer model evaluations. In this work we present a new filter which combines the ASIR filter and the Gaussian Mixture filter (denoted ASGM), and demonstrate improved estimation (compared to ASIR and GM filters) in cases with rapid parameter variations, while maintaining reasonable computational cost.

  8. Non-stationary noise estimation using dictionary learning and Gaussian mixture models

    NASA Astrophysics Data System (ADS)

    Hughes, James M.; Rockmore, Daniel N.; Wang, Yang

    2014-02-01

    Stationarity of the noise distribution is a common assumption in image processing. This assumption greatly simplifies denoising estimators and other model parameters and consequently assuming stationarity is often a matter of convenience rather than an accurate model of noise characteristics. The problematic nature of this assumption is exacerbated in real-world contexts, where noise is often highly non-stationary and can possess time- and space-varying characteristics. Regardless of model complexity, estimating the parameters of noise dis- tributions in digital images is a difficult task, and estimates are often based on heuristic assumptions. Recently, sparse Bayesian dictionary learning methods were shown to produce accurate estimates of the level of additive white Gaussian noise in images with minimal assumptions. We show that a similar model is capable of accu- rately modeling certain kinds of non-stationary noise processes, allowing for space-varying noise in images to be estimated, detected, and removed. We apply this modeling concept to several types of non-stationary noise and demonstrate the model's effectiveness on real-world problems, including denoising and segmentation of images according to noise characteristics, which has applications in image forensics.

  9. Non-Gaussian diffusion in static disordered media

    NASA Astrophysics Data System (ADS)

    Luo, Liang; Yi, Ming

    2018-04-01

    Non-Gaussian diffusion is commonly considered as a result of fluctuating diffusivity, which is correlated in time or in space or both. In this work, we investigate the non-Gaussian diffusion in static disordered media via a quenched trap model, where the diffusivity is spatially correlated. Several unique effects due to quenched disorder are reported. We analytically estimate the diffusion coefficient Ddis and its fluctuation over samples of finite size. We show a mechanism of population splitting in the non-Gaussian diffusion. It results in a sharp peak in the distribution of displacement P (x ,t ) around x =0 , that has frequently been observed in experiments. We examine the fidelity of the coarse-grained diffusion map, which is reconstructed from particle trajectories. Finally, we propose a procedure to estimate the correlation length in static disordered environments, where the information stored in the sample-to-sample fluctuation has been utilized.

  10. Entanglement negativity bounds for fermionic Gaussian states

    NASA Astrophysics Data System (ADS)

    Eisert, Jens; Eisler, Viktor; Zimborás, Zoltán

    2018-04-01

    The entanglement negativity is a versatile measure of entanglement that has numerous applications in quantum information and in condensed matter theory. It can not only efficiently be computed in the Hilbert space dimension, but for noninteracting bosonic systems, one can compute the negativity efficiently in the number of modes. However, such an efficient computation does not carry over to the fermionic realm, the ultimate reason for this being that the partial transpose of a fermionic Gaussian state is no longer Gaussian. To provide a remedy for this state of affairs, in this work, we introduce efficiently computable and rigorous upper and lower bounds to the negativity, making use of techniques of semidefinite programming, building upon the Lagrangian formulation of fermionic linear optics, and exploiting suitable products of Gaussian operators. We discuss examples in quantum many-body theory and hint at applications in the study of topological properties at finite temperature.

  11. Toward the detection of gravitational waves under non-Gaussian noises I. Locally optimal statistic.

    PubMed

    Yokoyama, Jun'ichi

    2014-01-01

    After reviewing the standard hypothesis test and the matched filter technique to identify gravitational waves under Gaussian noises, we introduce two methods to deal with non-Gaussian stationary noises. We formulate the likelihood ratio function under weakly non-Gaussian noises through the Edgeworth expansion and strongly non-Gaussian noises in terms of a new method we call Gaussian mapping where the observed marginal distribution and the two-body correlation function are fully taken into account. We then apply these two approaches to Student's t-distribution which has a larger tails than Gaussian. It is shown that while both methods work well in the case the non-Gaussianity is small, only the latter method works well for highly non-Gaussian case.

  12. Toward the detection of gravitational waves under non-Gaussian noises I. Locally optimal statistic

    PubMed Central

    YOKOYAMA, Jun’ichi

    2014-01-01

    After reviewing the standard hypothesis test and the matched filter technique to identify gravitational waves under Gaussian noises, we introduce two methods to deal with non-Gaussian stationary noises. We formulate the likelihood ratio function under weakly non-Gaussian noises through the Edgeworth expansion and strongly non-Gaussian noises in terms of a new method we call Gaussian mapping where the observed marginal distribution and the two-body correlation function are fully taken into account. We then apply these two approaches to Student’s t-distribution which has a larger tails than Gaussian. It is shown that while both methods work well in the case the non-Gaussianity is small, only the latter method works well for highly non-Gaussian case. PMID:25504231

  13. Using Monte Carlo/Gaussian Based Small Area Estimates to Predict Where Medicaid Patients Reside.

    PubMed

    Behrens, Jess J; Wen, Xuejin; Goel, Satyender; Zhou, Jing; Fu, Lina; Kho, Abel N

    2016-01-01

    Electronic Health Records (EHR) are rapidly becoming accepted as tools for planning and population health 1,2 . With the national dialogue around Medicaid expansion 12 , the role of EHR data has become even more important. For their potential to be fully realized and contribute to these discussions, techniques for creating accurate small area estimates is vital. As such, we examined the efficacy of developing small area estimates for Medicaid patients in two locations, Albuquerque and Chicago, by using a Monte Carlo/Gaussian technique that has worked in accurately locating registered voters in North Carolina 11 . The Albuquerque data, which includes patient address, will first be used to assess the accuracy of the methodology. Subsequently, it will be combined with the EHR data from Chicago to develop a regression that predicts Medicaid patients by US Block Group. We seek to create a tool that is effective in translating EHR data's potential for population health studies.

  14. Some new results on the statistics of radio wave scintillation. I - Empirical evidence for Gaussian statistics

    NASA Technical Reports Server (NTRS)

    Rino, C. L.; Livingston, R. C.; Whitney, H. E.

    1976-01-01

    This paper presents an analysis of ionospheric scintillation data which shows that the underlying statistical structure of the signal can be accurately modeled by the additive complex Gaussian perturbation predicted by the Born approximation in conjunction with an application of the central limit theorem. By making use of this fact, it is possible to estimate the in-phase, phase quadrature, and cophased scattered power by curve fitting to measured intensity histograms. By using this procedure, it is found that typically more than 80% of the scattered power is in phase quadrature with the undeviated signal component. Thus, the signal is modeled by a Gaussian, but highly non-Rician process. From simultaneous UHF and VHF data, only a weak dependence of this statistical structure on changes in the Fresnel radius is deduced. The signal variance is found to have a nonquadratic wavelength dependence. It is hypothesized that this latter effect is a subtle manifestation of locally homogeneous irregularity structures, a mathematical model proposed by Kolmogorov (1941) in his early studies of incompressible fluid turbulence.

  15. Metasurface-assisted orbital angular momentum carrying Bessel-Gaussian Laser: proposal and simulation.

    PubMed

    Zhou, Nan; Wang, Jian

    2018-05-23

    Bessel-Gaussian beams have distinct properties of suppressed diffraction divergence and self-reconstruction. In this paper, we propose and simulate metasurface-assisted orbital angular momentum (OAM) carrying Bessel-Gaussian laser. The laser can be regarded as a Fabry-Perot cavity formed by one partially transparent output plane mirror and the other metasurface-based reflector mirror. The gain medium of Nd:YVO 4 enables the lasing wavelength at 1064 nm with a 808 nm laser serving as the pump. The sub-wavelength structure of metasurface facilitates flexible spatial light manipulation. The compact metasurface-based reflector provides combined phase functions of an axicon and a spherical mirror. By appropriately selecting the size of output mirror and inserting mode-selection element in the laser cavity, different orders of OAM-carrying Bessel-Gaussian lasing modes are achievable. The lasing Bessel-Gaussian 0 , Bessel-Gaussian 01 + , Bessel-Gaussian 02 + and Bessel-Gaussian 03 + modes have high fidelities of ~0.889, ~0.889, ~0.881 and ~0.879, respectively. The metasurface fabrication tolerance and the dependence of threshold power and output lasing power on the length of gain medium, beam radius of pump and transmittance of output mirror are also discussed. The obtained results show successful implementation of metasurface-assisted OAM-carrying Bessel-Gaussian laser with favorable performance. The metasurface-assisted OAM-carrying Bessel-Gaussian laser may find wide OAM-enabled communication and non-communication applications.

  16. Degeneracy of energy levels of pseudo-Gaussian oscillators

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

    Iacob, Theodor-Felix; Iacob, Felix, E-mail: felix@physics.uvt.ro; Lute, Marina

    2015-12-07

    We study the main features of the isotropic radial pseudo-Gaussian oscillators spectral properties. This study is made upon the energy levels degeneracy with respect to orbital angular momentum quantum number. In a previous work [6] we have shown that the pseudo-Gaussian oscillators belong to the class of quasi-exactly solvable models and an exact solution has been found.

  17. Hypergeometric Gaussian beam and its propagation in turbulence

    NASA Astrophysics Data System (ADS)

    Eyyuboğlu, Halil Tanyer; Cai, Yangjian

    2012-10-01

    We study propagation characteristics of hypergeometric Gaussian beam in turbulence. In this context, we formulate the receiver plane intensity using extended Huygens-Fresnel integral. From the graphical results, it is seen that, after propagation, hypergeometric Gaussian will in general assume the shape of a dark hollow beam at topological charges other than zero. Increasing values of topological charge will make the beam broader with steeper walls. On the other hand, higher values of hollowness parameter will contract into a narrower shape. Raising the topological charge or the hollowness parameter individually will cause outer rings to appear. Both increased levels of turbulence and longer propagation distances will accelerate the beam evolution and help reach the final Gaussian shape sooner. At lower wavelengths, there will be less beam spreading.

  18. Phase retrieval of images using Gaussian radial bases.

    PubMed

    Trahan, Russell; Hyland, David

    2013-12-20

    Here, the possibility of a noniterative solution to the phase retrieval problem is explored. A new look is taken at the phase retrieval problem that reveals that knowledge of a diffraction pattern's frequency components is enough to recover the image without projective iterations. This occurs when the image is formed using Gaussian bases that give the convenience of a continuous Fourier transform existing in a compact form where square pixels do not. The Gaussian bases are appropriate when circular apertures are used to detect the diffraction pattern because of their optical transfer functions, as discussed briefly. An algorithm is derived that is capable of recovering an image formed by Gaussian bases from only the Fourier transform's modulus, without background constraints. A practical example is shown.

  19. Gaussian geometric discord in terms of Hellinger distance

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

    Suciu, Serban, E-mail: serban.suciu@theory.nipne.ro; Isar, Aurelian

    2015-12-07

    In the framework of the theory of open systems based on completely positive quantum dynamical semigroups, we address the quantification of general non-classical correlations in Gaussian states of continuous variable systems from a geometric perspective. We give a description of the Gaussian geometric discord by using the Hellinger distance as a measure for quantum correlations between two non-interacting non-resonant bosonic modes embedded in a thermal environment. We evaluate the Gaussian geometric discord by taking two-mode squeezed thermal states as initial states of the system and show that it has finite values between 0 and 1 and that it decays asymptoticallymore » to zero in time under the effect of the thermal bath.« less

  20. Non-Gaussian statistics of soliton timing jitter induced by amplifier noise.

    PubMed

    Ho, Keang-Po

    2003-11-15

    Based on first-order perturbation theory of the soliton, the Gordon-Haus timing jitter induced by amplifier noise is found to be non-Gaussian distributed. Both frequency and timing jitter have larger tail probabilities than Gaussian distribution given by the linearized perturbation theory. The timing jitter has a larger discrepancy from Gaussian distribution than does the frequency jitter.

  1. Entanglement and Wigner Function Negativity of Multimode Non-Gaussian States

    NASA Astrophysics Data System (ADS)

    Walschaers, Mattia; Fabre, Claude; Parigi, Valentina; Treps, Nicolas

    2017-11-01

    Non-Gaussian operations are essential to exploit the quantum advantages in optical continuous variable quantum information protocols. We focus on mode-selective photon addition and subtraction as experimentally promising processes to create multimode non-Gaussian states. Our approach is based on correlation functions, as is common in quantum statistical mechanics and condensed matter physics, mixed with quantum optics tools. We formulate an analytical expression of the Wigner function after the subtraction or addition of a single photon, for arbitrarily many modes. It is used to demonstrate entanglement properties specific to non-Gaussian states and also leads to a practical and elegant condition for Wigner function negativity. Finally, we analyze the potential of photon addition and subtraction for an experimentally generated multimode Gaussian state.

  2. Entanglement and Wigner Function Negativity of Multimode Non-Gaussian States.

    PubMed

    Walschaers, Mattia; Fabre, Claude; Parigi, Valentina; Treps, Nicolas

    2017-11-03

    Non-Gaussian operations are essential to exploit the quantum advantages in optical continuous variable quantum information protocols. We focus on mode-selective photon addition and subtraction as experimentally promising processes to create multimode non-Gaussian states. Our approach is based on correlation functions, as is common in quantum statistical mechanics and condensed matter physics, mixed with quantum optics tools. We formulate an analytical expression of the Wigner function after the subtraction or addition of a single photon, for arbitrarily many modes. It is used to demonstrate entanglement properties specific to non-Gaussian states and also leads to a practical and elegant condition for Wigner function negativity. Finally, we analyze the potential of photon addition and subtraction for an experimentally generated multimode Gaussian state.

  3. Near Hartree-Fock quality GTO basis sets for the first- and third-row atoms

    NASA Technical Reports Server (NTRS)

    Partridge, Harry

    1989-01-01

    Energy-optimized Gaussian-type-orbital (GTO) basis sets of accuracy approaching that of numerical Hartree-Fock computations are compiled for the elements of the first and third rows of the periodic table. The methods employed in calculating the sets are explained; the applicability of the sets to electronic-structure calculations is discussed; and the results are presented in tables and briefly characterized.

  4. Mean intensity of the vortex Bessel-Gaussian beam in turbulent atmosphere

    NASA Astrophysics Data System (ADS)

    Lukin, Igor P.

    2017-11-01

    In this work the question of stability of the vortex Bessel-Gaussian optical beams formed in turbulent atmosphere is theoretically considered. The detailed analysis of features of spatial structure of distribution of mean intensity of vortex Bessel-Gaussian optical beams in turbulent atmosphere are analyzed. The quantitative criterion of possibility of formation of vortex Bessel-Gaussian optical beams in turbulent atmosphere is derived. It is shown that stability of the form of a vortex Bessel-Gaussian optical beam during propagation in turbulent atmosphere increases with increase of value of a topological charge of this optical beam.

  5. An unconventional adaptation of a classical Gaussian plume dispersion scheme for the fast assessment of external irradiation from a radioactive cloud

    NASA Astrophysics Data System (ADS)

    Pecha, Petr; Pechova, Emilie

    2014-06-01

    This article focuses on derivation of an effective algorithm for the fast estimation of cloudshine doses/dose rates induced by a large mixture of radionuclides discharged into the atmosphere. A certain special modification of the classical Gaussian plume approach is proposed for approximation of the near-field dispersion problem. Specifically, the accidental radioactivity release is subdivided into consecutive one-hour Gaussian segments, each driven by a short-term meteorological forecast for the respective hours. Determination of the physical quantity of photon fluence rate from an ambient cloud irradiation is coupled to a special decomposition of the Gaussian plume shape into the equivalent virtual elliptic disks. It facilitates solution of the formerly used time-consuming 3-D integration and provides advantages with regard to acceleration of the computational process on a local scale. An optimal choice of integration limit is adopted on the basis of the mean free path of γ-photons in the air. An efficient approach is introduced for treatment of a wide range of energetic spectrum of the emitted photons when the usual multi-nuclide approach is replaced by a new multi-group scheme. The algorithm is capable of generating the radiological responses in a large net of spatial nodes. It predetermines the proposed procedure such as a proper tool for online data assimilation analysis in the near-field areas. A specific technique for numerical integration is verified on the basis of comparison with a partial analytical solution. Convergence of the finite cloud approximation to the tabulated semi-infinite cloud values for dose conversion factors was validated.

  6. A Paper-and-Pencil gcd Algorithm for Gaussian Integers

    ERIC Educational Resources Information Center

    Szabo, Sandor

    2005-01-01

    As with natural numbers, a greatest common divisor of two Gaussian (complex) integers "a" and "b" is a Gaussian integer "d" that is a common divisor of both "a" and "b". This article explores an algorithm for such gcds that is easy to do by hand.

  7. The Gaussian CL s method for searches of new physics

    DOE PAGES

    Qian, X.; Tan, A.; Ling, J. J.; ...

    2016-04-23

    Here we describe a method based on the CL s approach to present results in searches of new physics, under the condition that the relevant parameter space is continuous. Our method relies on a class of test statistics developed for non-nested hypotheses testing problems, denoted by ΔT, which has a Gaussian approximation to its parent distribution when the sample size is large. This leads to a simple procedure of forming exclusion sets for the parameters of interest, which we call the Gaussian CL s method. Our work provides a self-contained mathematical proof for the Gaussian CL s method, that explicitlymore » outlines the required conditions. These conditions are milder than that required by the Wilks' theorem to set confidence intervals (CIs). We illustrate the Gaussian CL s method in an example of searching for a sterile neutrino, where the CL s approach was rarely used before. We also compare data analysis results produced by the Gaussian CL s method and various CI methods to showcase their differences.« less

  8. PHYSICS OF NON-GAUSSIAN FIELDS AND THE COSMOLOGICAL GENUS STATISTIC

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

    James, J. Berian, E-mail: berian@berkeley.edu

    2012-05-20

    We report a technique to calculate the impact of distinct physical processes inducing non-Gaussianity on the cosmological density field. A natural decomposition of the cosmic genus statistic into an orthogonal polynomial sequence allows complete expression of the scale-dependent evolution of the topology of large-scale structure, in which effects including galaxy bias, nonlinear gravitational evolution, and primordial non-Gaussianity may be delineated. The relationship of this decomposition to previous methods for analyzing the genus statistic is briefly considered and the following applications are made: (1) the expression of certain systematics affecting topological measurements, (2) the quantification of broad deformations from Gaussianity thatmore » appear in the genus statistic as measured in the Horizon Run simulation, and (3) the study of the evolution of the genus curve for simulations with primordial non-Gaussianity. These advances improve the treatment of flux-limited galaxy catalogs for use with this measurement and further the use of the genus statistic as a tool for exploring non-Gaussianity.« less

  9. Fixing convergence of Gaussian belief propagation

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

    Johnson, Jason K; Bickson, Danny; Dolev, Danny

    Gaussian belief propagation (GaBP) is an iterative message-passing algorithm for inference in Gaussian graphical models. It is known that when GaBP converges it converges to the correct MAP estimate of the Gaussian random vector and simple sufficient conditions for its convergence have been established. In this paper we develop a double-loop algorithm for forcing convergence of GaBP. Our method computes the correct MAP estimate even in cases where standard GaBP would not have converged. We further extend this construction to compute least-squares solutions of over-constrained linear systems. We believe that our construction has numerous applications, since the GaBP algorithm ismore » linked to solution of linear systems of equations, which is a fundamental problem in computer science and engineering. As a case study, we discuss the linear detection problem. We show that using our new construction, we are able to force convergence of Montanari's linear detection algorithm, in cases where it would originally fail. As a consequence, we are able to increase significantly the number of users that can transmit concurrently.« less

  10. Antibunching and unconventional photon blockade with Gaussian squeezed states

    NASA Astrophysics Data System (ADS)

    Lemonde, Marc-Antoine; Didier, Nicolas; Clerk, Aashish A.

    2014-12-01

    Photon antibunching is a quantum phenomenon typically observed in strongly nonlinear systems where photon blockade suppresses the probability of detecting two photons at the same time. Antibunching has also been reported with Gaussian states, where optimized amplitude squeezing yields classically forbidden values of the intensity correlation, g(2 )(0 ) <1 . As a consequence, observation of antibunching is not necessarily a signature of photon-photon interactions. To clarify the significance of the intensity correlations, we derive a sufficient condition for deducing whether a field is non-Gaussian based on a g(2 )(0 ) measurement. We then show that the Gaussian antibunching obtained with a degenerate parametric amplifier is close to the ideal case reached using dissipative squeezing protocols. We finally shed light on the so-called unconventional photon blockade effect predicted in a driven two-cavity setup with surprisingly weak Kerr nonlinearities, stressing that it is a particular realization of optimized Gaussian amplitude squeezing.

  11. A Bernoulli Gaussian Watermark for Detecting Integrity Attacks in Control Systems

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

    Weerakkody, Sean; Ozel, Omur; Sinopoli, Bruno

    We examine the merit of Bernoulli packet drops in actively detecting integrity attacks on control systems. The aim is to detect an adversary who delivers fake sensor measurements to a system operator in order to conceal their effect on the plant. Physical watermarks, or noisy additive Gaussian inputs, have been previously used to detect several classes of integrity attacks in control systems. In this paper, we consider the analysis and design of Gaussian physical watermarks in the presence of packet drops at the control input. On one hand, this enables analysis in a more general network setting. On the othermore » hand, we observe that in certain cases, Bernoulli packet drops can improve detection performance relative to a purely Gaussian watermark. This motivates the joint design of a Bernoulli-Gaussian watermark which incorporates both an additive Gaussian input and a Bernoulli drop process. We characterize the effect of such a watermark on system performance as well as attack detectability in two separate design scenarios. Here, we consider a correlation detector for attack recognition. We then propose efficiently solvable optimization problems to intelligently select parameters of the Gaussian input and the Bernoulli drop process while addressing security and performance trade-offs. Finally, we provide numerical results which illustrate that a watermark with packet drops can indeed outperform a Gaussian watermark.« less

  12. Propagation of a cosh-Gaussian beam through an optical system in turbulent atmosphere.

    PubMed

    Chu, Xiuxiang

    2007-12-24

    The propagation of a cosh-Gaussian beam through an arbitrary ABCD optical system in turbulent atmosphere has been investigated. The analytical expressions for the average intensity at any receiver plane are obtained. As an elementary example, the average intensity and its radius at the image plane of a cosh-Gaussian beam through a thin lens are studied. To show the effects of a lens on the average intensity and the intensity radius of the laser beam in turbulent atmosphere, the properties of a collimated cosh-Gaussian beam and a focused cosh-Gaussian beam for direct propagation in turbulent atmosphere are studied and numerically calculated. The average intensity profiles of a cosh-Gaussian beam through a lens can have a shape similar to that of the initial beam for a longer propagation distance than that of a collimated cosh-Gaussian beam for direct propagation. With the increment in the propagation distance, the average intensity radius at the image plane of a cosh-Gaussian beam through a thin lens will be smaller than that at the focal plane of a focused cosh-Gaussian beam for direct propagation. Meanwhile, the intensity distributions at the image plane of a cosh-Gaussian beam through a lens with different w(0) and Omega(0) are also studied.

  13. Propagation of Ince-Gaussian beams in uniaxial crystals orthogonal to the optical axis

    NASA Astrophysics Data System (ADS)

    Xu, Y. Q.; Zhou, G. Q.

    2012-03-01

    An analytical propagation expression of an Ince-Gaussian beam in uniaxial crystals orthogonal to the optical axis is derived. The uniaxial crystal considered here has the property of the extraordinary refractive index being larger than the ordinary refractive index. The Ince-Gaussian beam in the transversal direction along the optical axis spreads more rapidly than that in the other transversal direction. With increasing the ratio of the extraordinary refractive index to the ordinary refractive index, the spreading of the Ince-Gaussian beam in the transversal direction along the optical axis increases and the spreading of the Ince-Gaussian beam in the other transversal direction decreases. The effective beam size in the transversal direction along the optical axis is always larger than that in the other transversal direction. When the even and odd modes of Ince-Gaussian beams exist simultaneously, the effective beam size in the direction along the optical axis of the odd Ince-Gaussian beam is smaller than that of the even Ince-Gaussian beam in the corresponding direction, and the effective beam size in the transversal direction orthogonal to the optical axis of the odd Ince-Gaussian beam is larger than that of the even Ince-Gaussian beam in the corresponding direction.

  14. Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy

    NASA Astrophysics Data System (ADS)

    Kamath, Aditya; Vargas-Hernández, Rodrigo A.; Krems, Roman V.; Carrington, Tucker; Manzhos, Sergei

    2018-06-01

    For molecules with more than three atoms, it is difficult to fit or interpolate a potential energy surface (PES) from a small number of (usually ab initio) energies at points. Many methods have been proposed in recent decades, each claiming a set of advantages. Unfortunately, there are few comparative studies. In this paper, we compare neural networks (NNs) with Gaussian process (GP) regression. We re-fit an accurate PES of formaldehyde and compare PES errors on the entire point set used to solve the vibrational Schrödinger equation, i.e., the only error that matters in quantum dynamics calculations. We also compare the vibrational spectra computed on the underlying reference PES and the NN and GP potential surfaces. The NN and GP surfaces are constructed with exactly the same points, and the corresponding spectra are computed with the same points and the same basis. The GP fitting error is lower, and the GP spectrum is more accurate. The best NN fits to 625/1250/2500 symmetry unique potential energy points have global PES root mean square errors (RMSEs) of 6.53/2.54/0.86 cm-1, whereas the best GP surfaces have RMSE values of 3.87/1.13/0.62 cm-1, respectively. When fitting 625 symmetry unique points, the error in the first 100 vibrational levels is only 0.06 cm-1 with the best GP fit, whereas the spectrum on the best NN PES has an error of 0.22 cm-1, with respect to the spectrum computed on the reference PES. This error is reduced to about 0.01 cm-1 when fitting 2500 points with either the NN or GP. We also find that the GP surface produces a relatively accurate spectrum when obtained based on as few as 313 points.

  15. Non-Gaussian bias: insights from discrete density peaks

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

    Desjacques, Vincent; Riotto, Antonio; Gong, Jinn-Ouk, E-mail: Vincent.Desjacques@unige.ch, E-mail: jinn-ouk.gong@apctp.org, E-mail: Antonio.Riotto@unige.ch

    2013-09-01

    Corrections induced by primordial non-Gaussianity to the linear halo bias can be computed from a peak-background split or the widespread local bias model. However, numerical simulations clearly support the prediction of the former, in which the non-Gaussian amplitude is proportional to the linear halo bias. To understand better the reasons behind the failure of standard Lagrangian local bias, in which the halo overdensity is a function of the local mass overdensity only, we explore the effect of a primordial bispectrum on the 2-point correlation of discrete density peaks. We show that the effective local bias expansion to peak clustering vastlymore » simplifies the calculation. We generalize this approach to excursion set peaks and demonstrate that the resulting non-Gaussian amplitude, which is a weighted sum of quadratic bias factors, precisely agrees with the peak-background split expectation, which is a logarithmic derivative of the halo mass function with respect to the normalisation amplitude. We point out that statistics of thresholded regions can be computed using the same formalism. Our results suggest that halo clustering statistics can be modelled consistently (in the sense that the Gaussian and non-Gaussian bias factors agree with peak-background split expectations) from a Lagrangian bias relation only if the latter is specified as a set of constraints imposed on the linear density field. This is clearly not the case of standard Lagrangian local bias. Therefore, one is led to consider additional variables beyond the local mass overdensity.« less

  16. Anisotropic CMB distortions from non-Gaussian isocurvature perturbations

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

    Ota, Atsuhisa; Sekiguchi, Toyokazu; Tada, Yuichiro

    2015-03-01

    We calculate the CMB μ-distortion, (μ), and the angular power spectrum of its cross-correlation with the temperature anisotropy, (μT), in the presence of the non-Gaussian neutrino isocurvature density (NID) mode. While the pure Gaussian NID perturbations give merely subdominant contributions to (μ) and do not create (μT), we show large (μT) can be realized in case where, especially, the NID perturbations S(x) are proportional to the square of a Gaussian field g(x), i.e. S(x)∝ g{sup 2}(x). Such Gaussian-squared perturbations contribute to not only the power spectrum, but also the bispectrum of CMB anisotropies. The constraints from the power spectrum ismore » given by P{sub SS}(k{sub 0})∼P{sub g}{sup 2}(k{sub 0})∼<10{sup −10} at k{sub 0}=0.05 Mpc{sup −1}. We also forecast constraints from the CMB temperature and E-mode polarisation bispectra, and show that P{sub g}(k{sub 0})∼<10{sup −5} would be allowed from the Planck data. We find that (μ) and |l(l+1)C{sup μT}{sub l}| can respectively be as large as 10{sup −9} and 10{sup −14} with uncorrelated scale-invariant NID perturbations for P{sub g}(k{sub 0})=10{sup −5}. When the spectrum of the Gaussian field is blue-tilted (with spectral index n{sub g}≅1.5), (μT) can be enhanced by an order of magnitude.« less

  17. NON-GAUSSIANITIES IN THE LOCAL CURVATURE OF THE FIVE-YEAR WMAP DATA

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

    Rudjord, Oeystein; Groeneboom, Nicolaas E.; Hansen, Frode K.

    Using the five-year WMAP data, we re-investigate claims of non-Gaussianities and asymmetries detected in local curvature statistics of the one-year WMAP data. In Hansen et al., it was found that the northern ecliptic hemisphere was non-Gaussian at the {approx}1% level testing the densities of hill, lake, and saddle points based on the second derivatives of the cosmic microwave background temperature map. The five-year WMAP data have a much lower noise level and better control of systematics. Using these, we find that the anomalies are still present at a consistent level. Also the direction of maximum non-Gaussianity remains. Due to limitedmore » availability of computer resources, Hansen et al. were unable to calculate the full covariance matrix for the {chi}{sup 2}-test used. Here, we apply the full covariance matrix instead of the diagonal approximation and find that the non-Gaussianities disappear and there is no preferred non-Gaussian direction. We compare with simulations of weak lensing to see if this may cause the observed non-Gaussianity when using a diagonal covariance matrix. We conclude that weak lensing does not produce non-Gaussianity in the local curvature statistics at the scales investigated in this paper. The cause of the non-Gaussian detection in the case of a diagonal matrix remains unclear.« less

  18. Characterization of Adrenal Adenoma by Gaussian Model-Based Algorithm.

    PubMed

    Hsu, Larson D; Wang, Carolyn L; Clark, Toshimasa J

    2016-01-01

    We confirmed that computed tomography (CT) attenuation values of pixels in an adrenal nodule approximate a Gaussian distribution. Building on this and the previously described histogram analysis method, we created an algorithm that uses mean and standard deviation to estimate the percentage of negative attenuation pixels in an adrenal nodule, thereby allowing differentiation of adenomas and nonadenomas. The institutional review board approved both components of this study in which we developed and then validated our criteria. In the first, we retrospectively assessed CT attenuation values of adrenal nodules for normality using a 2-sample Kolmogorov-Smirnov test. In the second, we evaluated a separate cohort of patients with adrenal nodules using both the conventional 10HU unit mean attenuation method and our Gaussian model-based algorithm. We compared the sensitivities of the 2 methods using McNemar's test. A total of 183 of 185 observations (98.9%) demonstrated a Gaussian distribution in adrenal nodule pixel attenuation values. The sensitivity and specificity of our Gaussian model-based algorithm for identifying adrenal adenoma were 86.1% and 83.3%, respectively. The sensitivity and specificity of the mean attenuation method were 53.2% and 94.4%, respectively. The sensitivities of the 2 methods were significantly different (P value < 0.001). In conclusion, the CT attenuation values within an adrenal nodule follow a Gaussian distribution. Our Gaussian model-based algorithm can characterize adrenal adenomas with higher sensitivity than the conventional mean attenuation method. The use of our algorithm, which does not require additional postprocessing, may increase workflow efficiency and reduce unnecessary workup of benign nodules. Copyright © 2016 Elsevier Inc. All rights reserved.

  19. On the Response of a Nonlinear Structure to High Kurtosis Non-Gaussian Random Loadings

    NASA Technical Reports Server (NTRS)

    Rizzi, Stephen A.; Przekop, Adam; Turner, Travis L.

    2011-01-01

    This paper is a follow-on to recent work by the authors in which the response and high-cycle fatigue of a nonlinear structure subject to non-Gaussian loadings was found to vary markedly depending on the nature of the loading. There it was found that a non-Gaussian loading having a steady rate of short-duration, high-excursion peaks produced essentially the same response as would have been incurred by a Gaussian loading. In contrast, a non-Gaussian loading having the same kurtosis, but with bursts of high-excursion peaks was found to elicit a much greater response. This work is meant to answer the question of when consideration of a loading probability distribution other than Gaussian is important. The approach entailed nonlinear numerical simulation of a beam structure under Gaussian and non-Gaussian random excitations. Whether the structure responded in a Gaussian or non-Gaussian manner was determined by adherence to, or violations of, the Central Limit Theorem. Over a practical range of damping, it was found that the linear response to a non-Gaussian loading was Gaussian when the period of the system impulse response is much greater than the rate of peaks in the loading. Lower damping reduced the kurtosis, but only when the linear response was non-Gaussian. In the nonlinear regime, the response was found to be non-Gaussian for all loadings. The effect of a spring-hardening type of nonlinearity was found to limit extreme values and thereby lower the kurtosis relative to the linear response regime. In this case, lower damping gave rise to greater nonlinearity, resulting in lower kurtosis than a higher level of damping.

  20. Experimental Profiling of a Non-truncated Focused Gaussian Beam and Fine-tuning of the Quadratic Phase in the Fresnel Gaussian Shape Invariant

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

    S., Juan Manuel Franco; Cywiak, Moises; Cywiak, David

    2015-06-24

    A homodyne profiler is used for recording the intensity distribution of focused non-truncated Gaussian beams. The spatial distributions are obtained at planes in the vicinity of the back-focal plane of a focusing lens placed at different distances from a He–Ne laser beam with a Gaussian intensity profile. Comparisons of the experimental data with those obtained from the analytical equations for an ideal focusing lens allow us to propose formulae to fine-tune the quadratic term in the Fresnel Gaussian shape invariant at each interface of the propagated field. Furthermore, we give analytical expressions to calculate adequately the propagation of the fieldmore » through an optical system.« less

  1. Inferring time derivatives including cell growth rates using Gaussian processes

    NASA Astrophysics Data System (ADS)

    Swain, Peter S.; Stevenson, Keiran; Leary, Allen; Montano-Gutierrez, Luis F.; Clark, Ivan B. N.; Vogel, Jackie; Pilizota, Teuta

    2016-12-01

    Often the time derivative of a measured variable is of as much interest as the variable itself. For a growing population of biological cells, for example, the population's growth rate is typically more important than its size. Here we introduce a non-parametric method to infer first and second time derivatives as a function of time from time-series data. Our approach is based on Gaussian processes and applies to a wide range of data. In tests, the method is at least as accurate as others, but has several advantages: it estimates errors both in the inference and in any summary statistics, such as lag times, and allows interpolation with the corresponding error estimation. As illustrations, we infer growth rates of microbial cells, the rate of assembly of an amyloid fibril and both the speed and acceleration of two separating spindle pole bodies. Our algorithm should thus be broadly applicable.

  2. Accurate interatomic force fields via machine learning with covariant kernels

    NASA Astrophysics Data System (ADS)

    Glielmo, Aldo; Sollich, Peter; De Vita, Alessandro

    2017-06-01

    We present a novel scheme to accurately predict atomic forces as vector quantities, rather than sets of scalar components, by Gaussian process (GP) regression. This is based on matrix-valued kernel functions, on which we impose the requirements that the predicted force rotates with the target configuration and is independent of any rotations applied to the configuration database entries. We show that such covariant GP kernels can be obtained by integration over the elements of the rotation group SO (d ) for the relevant dimensionality d . Remarkably, in specific cases the integration can be carried out analytically and yields a conservative force field that can be recast into a pair interaction form. Finally, we show that restricting the integration to a summation over the elements of a finite point group relevant to the target system is sufficient to recover an accurate GP. The accuracy of our kernels in predicting quantum-mechanical forces in real materials is investigated by tests on pure and defective Ni, Fe, and Si crystalline systems.

  3. Speech Enhancement Using Gaussian Scale Mixture Models

    PubMed Central

    Hao, Jiucang; Lee, Te-Won; Sejnowski, Terrence J.

    2011-01-01

    This paper presents a novel probabilistic approach to speech enhancement. Instead of a deterministic logarithmic relationship, we assume a probabilistic relationship between the frequency coefficients and the log-spectra. The speech model in the log-spectral domain is a Gaussian mixture model (GMM). The frequency coefficients obey a zero-mean Gaussian whose covariance equals to the exponential of the log-spectra. This results in a Gaussian scale mixture model (GSMM) for the speech signal in the frequency domain, since the log-spectra can be regarded as scaling factors. The probabilistic relation between frequency coefficients and log-spectra allows these to be treated as two random variables, both to be estimated from the noisy signals. Expectation-maximization (EM) was used to train the GSMM and Bayesian inference was used to compute the posterior signal distribution. Because exact inference of this full probabilistic model is computationally intractable, we developed two approaches to enhance the efficiency: the Laplace method and a variational approximation. The proposed methods were applied to enhance speech corrupted by Gaussian noise and speech-shaped noise (SSN). For both approximations, signals reconstructed from the estimated frequency coefficients provided higher signal-to-noise ratio (SNR) and those reconstructed from the estimated log-spectra produced lower word recognition error rate because the log-spectra fit the inputs to the recognizer better. Our algorithms effectively reduced the SSN, which algorithms based on spectral analysis were not able to suppress. PMID:21359139

  4. Dynamical Casimir Effect for Gaussian Boson Sampling.

    PubMed

    Peropadre, Borja; Huh, Joonsuk; Sabín, Carlos

    2018-02-28

    We show that the Dynamical Casimir Effect (DCE), realized on two multimode coplanar waveg-uide resonators, implements a gaussian boson sampler (GBS). The appropriate choice of the mirror acceleration that couples both resonators translates into the desired initial gaussian state and many-boson interference in a boson sampling network. In particular, we show that the proposed quantum simulator naturally performs a classically hard task, known as scattershot boson sampling. Our result unveils an unprecedented computational power of DCE, and paves the way for using DCE as a resource for quantum simulation.

  5. Entropic characterization of separability in Gaussian states

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

    Sudha; Devi, A. R. Usha; Inspire Institute Inc., McLean, Virginia 22101

    2010-02-15

    We explore separability of bipartite divisions of mixed Gaussian states based on the positivity of the Abe-Rajagopal (AR) q-conditional entropy. The AR q-conditional entropic characterization provide more stringent restrictions on separability (in the limit q{yields}{infinity}) than that obtained from the corresponding von Neumann conditional entropy (q=1 case)--similar to the situation in finite dimensional states. Effectiveness of this approach, in relation to the results obtained by partial transpose criterion, is explicitly analyzed in three illustrative examples of two-mode Gaussian states of physical significance.

  6. Wavelet decomposition and radial basis function networks for system monitoring

    NASA Astrophysics Data System (ADS)

    Ikonomopoulos, A.; Endou, A.

    1998-10-01

    Two approaches are coupled to develop a novel collection of black box models for monitoring operational parameters in a complex system. The idea springs from the intention of obtaining multiple predictions for each system variable and fusing them before they are used to validate the actual measurement. The proposed architecture pairs the analytical abilities of the discrete wavelet decomposition with the computational power of radial basis function networks. Members of a wavelet family are constructed in a systematic way and chosen through a statistical selection criterion that optimizes the structure of the network. Network parameters are further optimized through a quasi-Newton algorithm. The methodology is demonstrated utilizing data obtained during two transients of the Monju fast breeder reactor. The models developed are benchmarked with respect to similar regressors based on Gaussian basis functions.

  7. Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

    NASA Astrophysics Data System (ADS)

    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

  8. Generalization of the Gaussian electrostatic model: Extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methods

    PubMed Central

    Cisneros, G. Andrés; Piquemal, Jean-Philip; Darden, Thomas A.

    2007-01-01

    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 0.15 kcal/mol error for

  9. Coherence degree of the fundamental Bessel-Gaussian beam in turbulent atmosphere

    NASA Astrophysics Data System (ADS)

    Lukin, Igor P.

    2017-11-01

    In this article the coherence of a fundamental Bessel-Gaussian optical beam in turbulent atmosphere is analyzed. The problem analysis is based on the solution of the equation for the transverse second-order mutual coherence function of a fundamental Bessel-Gaussian optical beam of optical radiation. The behavior of a coherence degree of a fundamental Bessel-Gaussian optical beam depending on parameters of an optical beam and characteristics of turbulent atmosphere is examined. It was revealed that at low levels of fluctuations in turbulent atmosphere the coherence degree of a fundamental Bessel-Gaussian optical beam has the characteristic oscillating appearance. At high levels of fluctuations in turbulent atmosphere the coherence degree of a fundamental Bessel-Gaussian optical beam is described by an one-scale decreasing curve which in process of increase of level of fluctuations on a line of formation of a laser beam becomes closer to the same characteristic of a spherical optical wave.

  10. Activation rates for nonlinear stochastic flows driven by non-Gaussian noise

    NASA Astrophysics Data System (ADS)

    van den Broeck, C.; Hänggi, P.

    1984-11-01

    Activation rates are calculated for stochastic bistable flows driven by asymmetric dichotomic Markov noise (a two-state Markov process). This noise contains as limits both a particular type of non-Gaussian white shot noise and white Gaussian noise. Apart from investigating the role of colored noise on the escape rates, one can thus also study the influence of the non-Gaussian nature of the noise on these rates. The rate for white shot noise differs in leading order (Arrhenius factor) from the corresponding rate for white Gaussian noise of equal strength. In evaluating the rates we demonstrate the advantage of using transport theory over a mean first-passage time approach for cases with generally non-white and non-Gaussian noise sources. For white shot noise with exponentially distributed weights we succeed in evaluating the mean first-passage time of the corresponding integro-differential master-equation dynamics. The rate is shown to coincide in the weak noise limit with the inverse mean first-passage time.

  11. Cosmological information in Gaussianized weak lensing signals

    NASA Astrophysics Data System (ADS)

    Joachimi, B.; Taylor, A. N.; Kiessling, A.

    2011-11-01

    Gaussianizing the one-point distribution of the weak gravitational lensing convergence has recently been shown to increase the signal-to-noise ratio contained in two-point statistics. We investigate the information on cosmology that can be extracted from the transformed convergence fields. Employing Box-Cox transformations to determine optimal transformations to Gaussianity, we develop analytical models for the transformed power spectrum, including effects of noise and smoothing. We find that optimized Box-Cox transformations perform substantially better than an offset logarithmic transformation in Gaussianizing the convergence, but both yield very similar results for the signal-to-noise ratio. None of the transformations is capable of eliminating correlations of the power spectra between different angular frequencies, which we demonstrate to have a significant impact on the errors in cosmology. Analytic models of the Gaussianized power spectrum yield good fits to the simulations and produce unbiased parameter estimates in the majority of cases, where the exceptions can be traced back to the limitations in modelling the higher order correlations of the original convergence. In the ideal case, without galaxy shape noise, we find an increase in the cumulative signal-to-noise ratio by a factor of 2.6 for angular frequencies up to ℓ= 1500, and a decrease in the area of the confidence region in the Ωm-σ8 plane, measured in terms of q-values, by a factor of 4.4 for the best performing transformation. When adding a realistic level of shape noise, all transformations perform poorly with little decorrelation of angular frequencies, a maximum increase in signal-to-noise ratio of 34 per cent, and even slightly degraded errors on cosmological parameters. We argue that to find Gaussianizing transformations of practical use, it will be necessary to go beyond transformations of the one-point distribution of the convergence, extend the analysis deeper into the non

  12. Exact exchange-correlation potentials of singlet two-electron systems

    NASA Astrophysics Data System (ADS)

    Ryabinkin, Ilya G.; Ospadov, Egor; Staroverov, Viktor N.

    2017-10-01

    We suggest a non-iterative analytic method for constructing the exchange-correlation potential, v XC ( r ) , of any singlet ground-state two-electron system. The method is based on a convenient formula for v XC ( r ) in terms of quantities determined only by the system's electronic wave function, exact or approximate, and is essentially different from the Kohn-Sham inversion technique. When applied to Gaussian-basis-set wave functions, the method yields finite-basis-set approximations to the corresponding basis-set-limit v XC ( r ) , whereas the Kohn-Sham inversion produces physically inappropriate (oscillatory and divergent) potentials. The effectiveness of the procedure is demonstrated by computing accurate exchange-correlation potentials of several two-electron systems (helium isoelectronic series, H2, H3 + ) using common ab initio methods and Gaussian basis sets.

  13. Examining the effect of initialization strategies on the performance of Gaussian mixture modeling.

    PubMed

    Shireman, Emilie; Steinley, Douglas; Brusco, Michael J

    2017-02-01

    Mixture modeling is a popular technique for identifying unobserved subpopulations (e.g., components) within a data set, with Gaussian (normal) mixture modeling being the form most widely used. Generally, the parameters of these Gaussian mixtures cannot be estimated in closed form, so estimates are typically obtained via an iterative process. The most common estimation procedure is maximum likelihood via the expectation-maximization (EM) algorithm. Like many approaches for identifying subpopulations, finite mixture modeling can suffer from locally optimal solutions, and the final parameter estimates are dependent on the initial starting values of the EM algorithm. Initial values have been shown to significantly impact the quality of the solution, and researchers have proposed several approaches for selecting the set of starting values. Five techniques for obtaining starting values that are implemented in popular software packages are compared. Their performances are assessed in terms of the following four measures: (1) the ability to find the best observed solution, (2) settling on a solution that classifies observations correctly, (3) the number of local solutions found by each technique, and (4) the speed at which the start values are obtained. On the basis of these results, a set of recommendations is provided to the user.

  14. Complete basis set extrapolations for low-lying triplet electronic states of acetylene and vinylidene

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

    Sherrill, C. David; Byrd, Edward F. C.; Head-Gordon, Martin

    2000-07-22

    A recent study by Ahmed, Peterka, and Suits [J. Chem. Phys. 110, 4248 (1999)] has presented the first experimentally derived estimate of the singlet-triplet gap in the simplest alkyne, acetylene. Their value, T{sub 0}(a(tilde sign) {sup 3}B{sub 2})=28 900 cm{sup -1}, does not agree with previous theoretical predictions using the coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] method and a triple-{zeta} plus double polarization plus f-function basis set (TZ2P f ), which yields 30 500{+-}1000 cm{sup -1}. This discrepancy has prompted us to investigate possible deficiencies in this usually-accurate theoretical approach. Employing extrapolations to the complete basis set limit alongmore » with corrections for full connected triple excitations, core correlation, and even relativistic effects, we obtain a value of 30 900 cm-1 (estimated uncertainty {+-}230 cm-1), demonstrating that the experimental value is underestimated. To assist in the interpretation of anticipated future experiments, we also present highly accurate excitation energies for the other three low-lying triplet states of acetylene, a(tilde sign) {sup 3}B{sub u}(33 570{+-}230 cm{sup -1}), b(tilde sign) {sup 3}A{sub u}(36 040{+-}260 cm{sup -1}), and b(tilde sign) {sup 3}A{sub 2}(38 380{+-}260 cm{sup -1}), and the three lowest-lying states of vinylidene, X(tilde sign) {sup 1}A{sub 1}(15 150{+-}230 cm{sup -1}), a(tilde sign) {sup 3}B{sub 2}(31 870{+-}230 cm{sup -1}), and b(tilde sign) {sup 3}A{sub 2}(36 840{+-}350 cm{sup -1}). Finally, we assess the ability of density functional theory (DFT) and the Gaussian-3 method to match our benchmark results for adiabatic excitation energies of C{sub 2}H{sub 2}. (c) 2000 American Institute of Physics.« less

  15. Retinal vessel enhancement based on the Gaussian function and image fusion

    NASA Astrophysics Data System (ADS)

    Moraru, Luminita; Obreja, Cristian Dragoş

    2017-01-01

    The Gaussian function is essential in the construction of the Frangi and COSFIRE (combination of shifted filter responses) filters. The connection of the broken vessels and an accurate extraction of the vascular structure is the main goal of this study. Thus, the outcome of the Frangi and COSFIRE edge detection algorithms are fused using the Dempster-Shafer algorithm with the aim to improve detection and to enhance the retinal vascular structure. For objective results, the average diameters of the retinal vessels provided by Frangi, COSFIRE and Dempster-Shafer fusion algorithms are measured. These experimental values are compared to the ground truth values provided by manually segmented retinal images. We prove the superiority of the fusion algorithm in terms of image quality by using the figure of merit objective metric that correlates the effects of all post-processing techniques.

  16. Generally astigmatic Gaussian beam representation and optimization using skew rays

    NASA Astrophysics Data System (ADS)

    Colbourne, Paul D.

    2014-12-01

    Methods are presented of using skew rays to optimize a generally astigmatic optical system to obtain the desired Gaussian beam focus and minimize aberrations, and to calculate the propagating generally astigmatic Gaussian beam parameters at any point. The optimization method requires very little computation beyond that of a conventional ray optimization, and requires no explicit calculation of the properties of the propagating Gaussian beam. Unlike previous methods, the calculation of beam parameters does not require matrix calculations or the introduction of non-physical concepts such as imaginary rays.

  17. Optimality of Gaussian attacks in continuous-variable quantum cryptography.

    PubMed

    Navascués, Miguel; Grosshans, Frédéric; Acín, Antonio

    2006-11-10

    We analyze the asymptotic security of the family of Gaussian modulated quantum key distribution protocols for continuous-variables systems. We prove that the Gaussian unitary attack is optimal for all the considered bounds on the key rate when the first and second momenta of the canonical variables involved are known by the honest parties.

  18. Poly-Gaussian model of randomly rough surface in rarefied gas flow

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

    Aksenova, Olga A.; Khalidov, Iskander A.

    2014-12-09

    Surface roughness is simulated by the model of non-Gaussian random process. Our results for the scattering of rarefied gas atoms from a rough surface using modified approach to the DSMC calculation of rarefied gas flow near a rough surface are developed and generalized applying the poly-Gaussian model representing probability density as the mixture of Gaussian densities. The transformation of the scattering function due to the roughness is characterized by the roughness operator. Simulating rough surface of the walls by the poly-Gaussian random field expressed as integrated Wiener process, we derive a representation of the roughness operator that can be appliedmore » in numerical DSMC methods as well as in analytical investigations.« less

  19. Additivity of nonsimultaneous masking for short Gaussian-shaped sinusoids.

    PubMed

    Laback, Bernhard; Balazs, Peter; Necciari, Thibaud; Savel, Sophie; Ystad, Solvi; Meunier, Sabine; Kronland-Martinet, Richard

    2011-02-01

    The additivity of nonsimultaneous masking was studied using Gaussian-shaped tone pulses (referred to as Gaussians) as masker and target stimuli. Combinations of up to four temporally separated Gaussian maskers with an equivalent rectangular bandwidth of 600 Hz and an equivalent rectangular duration of 1.7 ms were tested. Each masker was level-adjusted to produce approximately 8 dB of masking. Excess masking (exceeding linear additivity) was generally stronger than reported in the literature for longer maskers and comparable target levels. A model incorporating a compressive input/output function, followed by a linear summation stage, underestimated excess masking when using an input/output function derived from literature data for longer maskers and comparable target levels. The data could be predicted with a more compressive input/output function. Stronger compression may be explained by assuming that the Gaussian stimuli were too short to evoke the medial olivocochlear reflex (MOCR), whereas for longer maskers tested previously the MOCR caused reduced compression. Overall, the interpretation of the data suggests strong basilar membrane compression for very short stimuli.

  20. On the analysis of very small samples of Gaussian repeated measurements: an alternative approach.

    PubMed

    Westgate, Philip M; Burchett, Woodrow W

    2017-03-15

    The analysis of very small samples of Gaussian repeated measurements can be challenging. First, due to a very small number of independent subjects contributing outcomes over time, statistical power can be quite small. Second, nuisance covariance parameters must be appropriately accounted for in the analysis in order to maintain the nominal test size. However, available statistical strategies that ensure valid statistical inference may lack power, whereas more powerful methods may have the potential for inflated test sizes. Therefore, we explore an alternative approach to the analysis of very small samples of Gaussian repeated measurements, with the goal of maintaining valid inference while also improving statistical power relative to other valid methods. This approach uses generalized estimating equations with a bias-corrected empirical covariance matrix that accounts for all small-sample aspects of nuisance correlation parameter estimation in order to maintain valid inference. Furthermore, the approach utilizes correlation selection strategies with the goal of choosing the working structure that will result in the greatest power. In our study, we show that when accurate modeling of the nuisance correlation structure impacts the efficiency of regression parameter estimation, this method can improve power relative to existing methods that yield valid inference. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  1. Spatio-thermal depth correction of RGB-D sensors based on Gaussian processes in real-time

    NASA Astrophysics Data System (ADS)

    Heindl, Christoph; Pönitz, Thomas; Stübl, Gernot; Pichler, Andreas; Scharinger, Josef

    2018-04-01

    Commodity RGB-D sensors capture color images along with dense pixel-wise depth information in real-time. Typical RGB-D sensors are provided with a factory calibration and exhibit erratic depth readings due to coarse calibration values, ageing and thermal influence effects. This limits their applicability in computer vision and robotics. We propose a novel method to accurately calibrate depth considering spatial and thermal influences jointly. Our work is based on Gaussian Process Regression in a four dimensional Cartesian and thermal domain. We propose to leverage modern GPUs for dense depth map correction in real-time. For reproducibility we make our dataset and source code publicly available.

  2. [Fluorescent signal detection of chromatographic chip by algorithms of pyramid connection and Gaussian mixture model].

    PubMed

    Hu, Beibei; Zhang, Xueqing; Chen, Haopeng; Cui, Daxiang

    2011-03-01

    We proposed a new algorithm for automatic identification of fluorescent signal. Based on the features of chromatographic chips, mathematic morphology in RGB color space was used to filter and enhance the images, pyramid connection was used to segment the areas of fluorescent signal, and then the method of Gaussian Mixture Model was used to detect the fluorescent signal. Finally we calculated the average fluorescent intensity in obtained fluorescent areas. Our results show that the algorithm has a good efficacy to segment the fluorescent areas, can detect the fluorescent signal quickly and accurately, and finally realize the quantitative detection of fluorescent signal in chromatographic chip.

  3. Orbit-orbit relativistic correction calculated with all-electron molecular explicitly correlated Gaussians.

    PubMed

    Stanke, Monika; Palikot, Ewa; Kȩdziera, Dariusz; Adamowicz, Ludwik

    2016-12-14

    An algorithm for calculating the first-order electronic orbit-orbit magnetic interaction correction for an electronic wave function expanded in terms of all-electron explicitly correlated molecular Gaussian (ECG) functions with shifted centers is derived and implemented. The algorithm is tested in calculations concerning the H 2 molecule. It is also applied in calculations for LiH and H 3 + molecular systems. The implementation completes our work on the leading relativistic correction for ECGs and paves the way for very accurate ECG calculations of ground and excited potential energy surfaces (PESs) of small molecules with two and more nuclei and two and more electrons, such as HeH - , H 3 + , HeH 2 + , and LiH 2 + . The PESs will be used to determine rovibrational spectra of the systems.

  4. Gaussian mixture model based identification of arterial wall movement for computation of distension waveform.

    PubMed

    Patil, Ravindra B; Krishnamoorthy, P; Sethuraman, Shriram

    2015-01-01

    This work proposes a novel Gaussian Mixture Model (GMM) based approach for accurate tracking of the arterial wall and subsequent computation of the distension waveform using Radio Frequency (RF) ultrasound signal. The approach was evaluated on ultrasound RF data acquired using a prototype ultrasound system from an artery mimicking flow phantom. The effectiveness of the proposed algorithm is demonstrated by comparing with existing wall tracking algorithms. The experimental results show that the proposed method provides 20% reduction in the error margin compared to the existing approaches in tracking the arterial wall movement. This approach coupled with ultrasound system can be used to estimate the arterial compliance parameters required for screening of cardiovascular related disorders.

  5. How to calculate H3 better.

    PubMed

    Pavanello, Michele; Tung, Wei-Cheng; Adamowicz, Ludwik

    2009-11-14

    Efficient optimization of the basis set is key to achieving a very high accuracy in variational calculations of molecular systems employing basis functions that are explicitly dependent on the interelectron distances. In this work we present a method for a systematic enlargement of basis sets of explicitly correlated functions based on the iterative-complement-interaction approach developed by Nakatsuji [Phys. Rev. Lett. 93, 030403 (2004)]. We illustrate the performance of the method in the variational calculations of H(3) where we use explicitly correlated Gaussian functions with shifted centers. The total variational energy (-1.674 547 421 Hartree) and the binding energy (-15.74 cm(-1)) obtained in the calculation with 1000 Gaussians are the most accurate results to date.

  6. Mean intensity of the fundamental Bessel-Gaussian beam in turbulent atmosphere

    NASA Astrophysics Data System (ADS)

    Lukin, Igor P.

    2017-11-01

    In the given article mean intensity of a fundamental Bessel-Gaussian optical beam in turbulent atmosphere is studied. The problem analysis is based on the solution of the equation for the transverse second-order mutual coherence function of a fundamental Bessel-Gaussian beam of optical radiation. Distributions of mean intensity of a fundamental Bessel- Gaussian beam optical beam in longitudinal and transverse to a direction of propagation of optical radiation are investigated in detail. Influence of atmospheric turbulence on change of radius of the central part of a Bessel optical beam is estimated. Values of parameters at which it is possible to generate in turbulent atmosphere a nondiffracting pseudo-Bessel optical beam by means of a fundamental Bessel-Gaussian optical beam are established.

  7. Tests for Gaussianity of the MAXIMA-1 cosmic microwave background map.

    PubMed

    Wu, J H; Balbi, A; Borrill, J; Ferreira, P G; Hanany, S; Jaffe, A H; Lee, A T; Rabii, B; Richards, P L; Smoot, G F; Stompor, R; Winant, C D

    2001-12-17

    Gaussianity of the cosmological perturbations is one of the key predictions of standard inflation, but it is violated by other models of structure formation such as cosmic defects. We present the first test of the Gaussianity of the cosmic microwave background (CMB) on subdegree angular scales, where deviations from Gaussianity are most likely to occur. We apply the methods of moments, cumulants, the Kolmogorov test, the chi(2) test, and Minkowski functionals in eigen, real, Wiener-filtered, and signal-whitened spaces, to the MAXIMA-1 CMB anisotropy data. We find that the data, which probe angular scales between 10 arcmin and 5 deg, are consistent with Gaussianity. These results show consistency with the standard inflation and place constraints on the existence of cosmic defects.

  8. Non-Gaussianity and Excursion Set Theory: Halo Bias

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

    Adshead, Peter; Baxter, Eric J.; Dodelson, Scott

    2012-09-01

    We study the impact of primordial non-Gaussianity generated during inflation on the bias of halos using excursion set theory. We recapture the familiar result that the bias scales asmore » $$k^{-2}$$ on large scales for local type non-Gaussianity but explicitly identify the approximations that go into this conclusion and the corrections to it. We solve the more complicated problem of non-spherical halos, for which the collapse threshold is scale dependent.« less

  9. Non-gaussian statistics of pencil beam surveys

    NASA Technical Reports Server (NTRS)

    Amendola, Luca

    1994-01-01

    We study the effect of the non-Gaussian clustering of galaxies on the statistics of pencil beam surveys. We derive the probability from the power spectrum peaks by means of Edgeworth expansion and find that the higher order moments of the galaxy distribution play a dominant role. The probability of obtaining the 128 Mpc/h periodicity found in pencil beam surveys is raised by more than one order of magnitude, up to 1%. Further data are needed to decide if non-Gaussian distribution alone is sufficient to explain the 128 Mpc/h periodicity, or if extra large-scale power is necessary.

  10. Continuous-variable quantum teleportation with non-Gaussian resources

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

    Dell'Anno, F.; Dipartimento di Fisica, Universita degli Studi di Salerno, Via S. Allende, I-84081 Baronissi; CNR-INFM Coherentia, Napoli, Italy and CNISM Unita di Salerno and INFN Sezione di Napoli, Gruppo Collegato di Salerno, Baronissi

    2007-08-15

    We investigate continuous variable quantum teleportation using non-Gaussian states of the radiation field as entangled resources. We compare the performance of different classes of degaussified resources, including two-mode photon-added and two-mode photon-subtracted squeezed states. We then introduce a class of two-mode squeezed Bell-like states with one-parameter dependence for optimization. These states interpolate between and include as subcases different classes of degaussified resources. We show that optimized squeezed Bell-like resources yield a remarkable improvement in the fidelity of teleportation both for coherent and nonclassical input states. The investigation reveals that the optimal non-Gaussian resources for continuous variable teleportation are those thatmore » most closely realize the simultaneous maximization of the content of entanglement, the degree of affinity with the two-mode squeezed vacuum, and the, suitably measured, amount of non-Gaussianity.« less

  11. Extension of filament propagation in water with Bessel-Gaussian beams

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

    Kaya, G.; Sayrac, M.; Boran, Y.

    We experimentally studied intense femtosecond pulse filamentation and propagation in water for Bessel-Gaussian beams with different numbers of radial modal lobes. The transverse modes of the incident Bessel-Gaussian beam were created from a Gaussian beam of a Ti:sapphire laser system by using computer generated hologram techniques. We found that filament propagation length increased with increasing number of lobes under the conditions of the same peak intensity, pulse duration, and the size of the central peak of the incident beam, suggesting that the radial modal lobes may serve as an energy reservoir for the filaments formed by the central intensity peak.

  12. Accretion rates of protoplanets. II - Gaussian distributions of planetesimal velocities

    NASA Technical Reports Server (NTRS)

    Greenzweig, Yuval; Lissauer, Jack J.

    1992-01-01

    In the present growth-rate calculations for a protoplanet that is embedded in a disk of planetesimals with triaxial Gaussian velocity dispersion and uniform surface density, the protoplanet is on a circular orbit. The accretion rate in the two-body approximation is found to be enhanced by a factor of about 3 relative to the case where all planetesimals' eccentricities and inclinations are equal to the rms values of those disk variables having locally Gaussian velocity dispersion. This accretion-rate enhancement should be incorporated by all models that assume a single random velocity for all planetesimals in lieu of a Gaussian distribution.

  13. Bayesian nonparametric adaptive control using Gaussian processes.

    PubMed

    Chowdhary, Girish; Kingravi, Hassan A; How, Jonathan P; Vela, Patricio A

    2015-03-01

    Most current model reference adaptive control (MRAC) methods rely on parametric adaptive elements, in which the number of parameters of the adaptive element are fixed a priori, often through expert judgment. An example of such an adaptive element is radial basis function networks (RBFNs), with RBF centers preallocated based on the expected operating domain. If the system operates outside of the expected operating domain, this adaptive element can become noneffective in capturing and canceling the uncertainty, thus rendering the adaptive controller only semiglobal in nature. This paper investigates a Gaussian process-based Bayesian MRAC architecture (GP-MRAC), which leverages the power and flexibility of GP Bayesian nonparametric models of uncertainty. The GP-MRAC does not require the centers to be preallocated, can inherently handle measurement noise, and enables MRAC to handle a broader set of uncertainties, including those that are defined as distributions over functions. We use stochastic stability arguments to show that GP-MRAC guarantees good closed-loop performance with no prior domain knowledge of the uncertainty. Online implementable GP inference methods are compared in numerical simulations against RBFN-MRAC with preallocated centers and are shown to provide better tracking and improved long-term learning.

  14. On the cause of the non-Gaussian distribution of residuals in geomagnetism

    NASA Astrophysics Data System (ADS)

    Hulot, G.; Khokhlov, A.

    2017-12-01

    To describe errors in the data, Gaussian distributions naturally come to mind. In many practical instances, indeed, Gaussian distributions are appropriate. In the broad field of geomagnetism, however, it has repeatedly been noted that residuals between data and models often display much sharper distributions, sometimes better described by a Laplace distribution. In the present study, we make the case that such non-Gaussian behaviors are very likely the result of what is known as mixture of distributions in the statistical literature. Mixtures arise as soon as the data do not follow a common distribution or are not properly normalized, the resulting global distribution being a mix of the various distributions followed by subsets of the data, or even individual datum. We provide examples of the way such mixtures can lead to distributions that are much sharper than Gaussian distributions and discuss the reasons why such mixtures are likely the cause of the non-Gaussian distributions observed in geomagnetism. We also show that when properly selecting sub-datasets based on geophysical criteria, statistical mixture can sometimes be avoided and much more Gaussian behaviors recovered. We conclude with some general recommendations and point out that although statistical mixture always tends to sharpen the resulting distribution, it does not necessarily lead to a Laplacian distribution. This needs to be taken into account when dealing with such non-Gaussian distributions.

  15. Gaussian Process Interpolation for Uncertainty Estimation in Image Registration

    PubMed Central

    Wachinger, Christian; Golland, Polina; Reuter, Martin; Wells, William

    2014-01-01

    Intensity-based image registration requires resampling images on a common grid to evaluate the similarity function. The uncertainty of interpolation varies across the image, depending on the location of resampled points relative to the base grid. We propose to perform Bayesian inference with Gaussian processes, where the covariance matrix of the Gaussian process posterior distribution estimates the uncertainty in interpolation. The Gaussian process replaces a single image with a distribution over images that we integrate into a generative model for registration. Marginalization over resampled images leads to a new similarity measure that includes the uncertainty of the interpolation. We demonstrate that our approach increases the registration accuracy and propose an efficient approximation scheme that enables seamless integration with existing registration methods. PMID:25333127

  16. Random diffusivity from stochastic equations: comparison of two models for Brownian yet non-Gaussian diffusion

    NASA Astrophysics Data System (ADS)

    Sposini, Vittoria; Chechkin, Aleksei V.; Seno, Flavio; Pagnini, Gianni; Metzler, Ralf

    2018-04-01

    A considerable number of systems have recently been reported in which Brownian yet non-Gaussian dynamics was observed. These are processes characterised by a linear growth in time of the mean squared displacement, yet the probability density function of the particle displacement is distinctly non-Gaussian, and often of exponential (Laplace) shape. This apparently ubiquitous behaviour observed in very different physical systems has been interpreted as resulting from diffusion in inhomogeneous environments and mathematically represented through a variable, stochastic diffusion coefficient. Indeed different models describing a fluctuating diffusivity have been studied. Here we present a new view of the stochastic basis describing time-dependent random diffusivities within a broad spectrum of distributions. Concretely, our study is based on the very generic class of the generalised Gamma distribution. Two models for the particle spreading in such random diffusivity settings are studied. The first belongs to the class of generalised grey Brownian motion while the second follows from the idea of diffusing diffusivities. The two processes exhibit significant characteristics which reproduce experimental results from different biological and physical systems. We promote these two physical models for the description of stochastic particle motion in complex environments.

  17. Robust Gaussian Graphical Modeling via l1 Penalization

    PubMed Central

    Sun, Hokeun; Li, Hongzhe

    2012-01-01

    Summary Gaussian graphical models have been widely used as an effective method for studying the conditional independency structure among genes and for constructing genetic networks. However, gene expression data typically have heavier tails or more outlying observations than the standard Gaussian distribution. Such outliers in gene expression data can lead to wrong inference on the dependency structure among the genes. We propose a l1 penalized estimation procedure for the sparse Gaussian graphical models that is robustified against possible outliers. The likelihood function is weighted according to how the observation is deviated, where the deviation of the observation is measured based on its own likelihood. An efficient computational algorithm based on the coordinate gradient descent method is developed to obtain the minimizer of the negative penalized robustified-likelihood, where nonzero elements of the concentration matrix represents the graphical links among the genes. After the graphical structure is obtained, we re-estimate the positive definite concentration matrix using an iterative proportional fitting algorithm. Through simulations, we demonstrate that the proposed robust method performs much better than the graphical Lasso for the Gaussian graphical models in terms of both graph structure selection and estimation when outliers are present. We apply the robust estimation procedure to an analysis of yeast gene expression data and show that the resulting graph has better biological interpretation than that obtained from the graphical Lasso. PMID:23020775

  18. Simulation and analysis of scalable non-Gaussian statistically anisotropic random functions

    NASA Astrophysics Data System (ADS)

    Riva, Monica; Panzeri, Marco; Guadagnini, Alberto; Neuman, Shlomo P.

    2015-12-01

    Many earth and environmental (as well as other) variables, Y, and their spatial or temporal increments, ΔY, exhibit non-Gaussian statistical scaling. Previously we were able to capture some key aspects of such scaling by treating Y or ΔY as standard sub-Gaussian random functions. We were however unable to reconcile two seemingly contradictory observations, namely that whereas sample frequency distributions of Y (or its logarithm) exhibit relatively mild non-Gaussian peaks and tails, those of ΔY display peaks that grow sharper and tails that become heavier with decreasing separation distance or lag. Recently we overcame this difficulty by developing a new generalized sub-Gaussian model which captures both behaviors in a unified and consistent manner, exploring it on synthetically generated random functions in one dimension (Riva et al., 2015). Here we extend our generalized sub-Gaussian model to multiple dimensions, present an algorithm to generate corresponding random realizations of statistically isotropic or anisotropic sub-Gaussian functions and illustrate it in two dimensions. We demonstrate the accuracy of our algorithm by comparing ensemble statistics of Y and ΔY (such as, mean, variance, variogram and probability density function) with those of Monte Carlo generated realizations. We end by exploring the feasibility of estimating all relevant parameters of our model by analyzing jointly spatial moments of Y and ΔY obtained from a single realization of Y.

  19. INPUFF: A SINGLE SOURCE GAUSSIAN PUFF DISPERSION ALGORITHM. USER'S GUIDE

    EPA Science Inventory

    INPUFF is a Gaussian INtegrated PUFF model. The Gaussian puff diffusion equation is used to compute the contribution to the concentration at each receptor from each puff every time step. Computations in INPUFF can be made for a single point source at up to 25 receptor locations. ...

  20. Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals

    NASA Astrophysics Data System (ADS)

    Lee, Kyuho; Yu, Jaejun; Morikawa, Yoshitada

    2007-01-01

    Localized pseudoatomic orbitals (PAOs) are mainly optimized and tested for the strong chemical bonds within molecules and solids with their proven accuracy and efficiency, but are prone to significant basis set superposition error (BSSE) for weakly interacting systems. Here we test the accuracy of PAO basis in comparison with the BSSE-free plane-wave basis for the physisorption of pentacene molecule on Au (001) by calculating the binding energy, adsorption height, and energy level alignment. We show that both the large cutoff radius for localized PAOs and the counter-poise correction for BSSE are necessary to obtain well-converged physical properties. Thereby obtained results are as accurate as the plane-wave basis results. The comparison with experiment is given as well.

  1. [Study thought of material basis of secondary development of major traditional Chinese medicine varieties on basis of combination of in vivo and in vitro experiments].

    PubMed

    Cheng, Xu-Dong; Jia, Xiao-Bin; Feng, Liang; Jiang, Jun

    2013-12-01

    The secondary development of major traditional Chinese medicine varieties is one of important links during the modernization, scientification and standardization of traditional Chinese medicines. How to accurately and effectively identify the pharmacodynamic material basis of original formulae becomes the primary problem in the secondary development, as well as the bottleneck in the modernization development of traditional Chinese medicines. On the basis of the existing experimental methods, and according to the study thought that the multi-component and complex effects of traditional Chinese medicine components need to combine multi-disciplinary methods and technologies, we propose the study thought of the material basis of secondary development of major traditional Chinese medicine varieties based on the combination of in vivo and in vitro experiments. It is believed that studies on material basis needs three links, namely identification, screening and verification, and in vivo and in vitro study method corresponding to each link is mutually complemented and verified. Finally, the accurate and reliable material basis is selected. This thought provides reference for the secondary development of major traditional Chinese medicine varieties and studies on compound material basis.

  2. Non-Gaussian microwave background fluctuations from nonlinear gravitational effects

    NASA Technical Reports Server (NTRS)

    Salopek, D. S.; Kunstatter, G. (Editor)

    1991-01-01

    Whether the statistics of primordial fluctuations for structure formation are Gaussian or otherwise may be determined if the Cosmic Background Explorer (COBE) Satellite makes a detection of the cosmic microwave-background temperature anisotropy delta T(sub CMB)/T(sub CMB). Non-Gaussian fluctuations may be generated in the chaotic inflationary model if two scalar fields interact nonlinearly with gravity. Theoretical contour maps are calculated for the resulting Sachs-Wolfe temperature fluctuations at large angular scales (greater than 3 degrees). In the long-wavelength approximation, one can confidently determine the nonlinear evolution of quantum noise with gravity during the inflationary epoch because: (1) different spatial points are no longer in causal contact; and (2) quantum gravity corrections are typically small-- it is sufficient to model the system using classical random fields. If the potential for two scalar fields V(phi sub 1, phi sub 2) possesses a sharp feature, then non-Gaussian fluctuations may arise. An explicit model is given where cold spots in delta T(sub CMB)/T(sub CMB) maps are suppressed as compared to the Gaussian case. The fluctuations are essentially scale-invariant.

  3. Information transmission in bosonic memory channels using Gaussian matrix-product states as near-optimal symbols

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

    Schäfer, Joachim; Karpov, Evgueni; Cerf, Nicolas J.

    2014-12-04

    We seek for a realistic implementation of multimode Gaussian entangled states that can realize the optimal encoding for quantum bosonic Gaussian channels with memory. For a Gaussian channel with classical additive Markovian correlated noise and a lossy channel with non-Markovian correlated noise, we demonstrate the usefulness using Gaussian matrix-product states (GMPS). These states can be generated sequentially, and may, in principle, approximate well any Gaussian state. We show that we can achieve up to 99.9% of the classical Gaussian capacity with GMPS requiring squeezing parameters that are reachable with current technology. This may offer a way towards an experimental realization.

  4. Generation of singular optical beams from fundamental Gaussian beam using Sagnac interferometer

    NASA Astrophysics Data System (ADS)

    Naik, Dinesh N.; Viswanathan, Nirmal K.

    2016-09-01

    We propose a simple free-space optics recipe for the controlled generation of optical vortex beams with a vortex dipole or a single charge vortex, using an inherently stable Sagnac interferometer. We investigate the role played by the amplitude and phase differences in generating higher-order Gaussian beams from the fundamental Gaussian mode. Our simulation results reveal how important the control of both the amplitude and the phase difference between superposing beams is to achieving optical vortex beams. The creation of a vortex dipole from null interference is unveiled through the introduction of a lateral shear and a radial phase difference between two out-of-phase Gaussian beams. A stable and high quality optical vortex beam, equivalent to the first-order Laguerre-Gaussian beam, is synthesized by coupling lateral shear with linear phase difference, introduced orthogonal to the shear between two out-of-phase Gaussian beams.

  5. Transfer of non-Gaussian quantum states of mechanical oscillator to light

    NASA Astrophysics Data System (ADS)

    Filip, Radim; Rakhubovsky, Andrey A.

    2015-11-01

    Non-Gaussian quantum states are key resources for quantum optics with continuous-variable oscillators. The non-Gaussian states can be deterministically prepared by a continuous evolution of the mechanical oscillator isolated in a nonlinear potential. We propose feasible and deterministic transfer of non-Gaussian quantum states of mechanical oscillators to a traveling light beam, using purely all-optical methods. The method relies on only basic feasible and high-quality elements of quantum optics: squeezed states of light, linear optics, homodyne detection, and electro-optical feedforward control of light. By this method, a wide range of novel non-Gaussian states of light can be produced in the future from the mechanical states of levitating particles in optical tweezers, including states necessary for the implementation of an important cubic phase gate.

  6. Perturbative Gaussianizing transforms for cosmological fields

    NASA Astrophysics Data System (ADS)

    Hall, Alex; Mead, Alexander

    2018-01-01

    Constraints on cosmological parameters from large-scale structure have traditionally been obtained from two-point statistics. However, non-linear structure formation renders these statistics insufficient in capturing the full information content available, necessitating the measurement of higher order moments to recover information which would otherwise be lost. We construct quantities based on non-linear and non-local transformations of weakly non-Gaussian fields that Gaussianize the full multivariate distribution at a given order in perturbation theory. Our approach does not require a model of the fields themselves and takes as input only the first few polyspectra, which could be modelled or measured from simulations or data, making our method particularly suited to observables lacking a robust perturbative description such as the weak-lensing shear. We apply our method to simulated density fields, finding a significantly reduced bispectrum and an enhanced correlation with the initial field. We demonstrate that our method reconstructs a large proportion of the linear baryon acoustic oscillations, improving the information content over the raw field by 35 per cent. We apply the transform to toy 21 cm intensity maps, showing that our method still performs well in the presence of complications such as redshift-space distortions, beam smoothing, pixel noise and foreground subtraction. We discuss how this method might provide a route to constructing a perturbative model of the fully non-Gaussian multivariate likelihood function.

  7. Gaussian Hypothesis Testing and Quantum Illumination.

    PubMed

    Wilde, Mark M; Tomamichel, Marco; Lloyd, Seth; Berta, Mario

    2017-09-22

    Quantum hypothesis testing is one of the most basic tasks in quantum information theory and has fundamental links with quantum communication and estimation theory. In this paper, we establish a formula that characterizes the decay rate of the minimal type-II error probability in a quantum hypothesis test of two Gaussian states given a fixed constraint on the type-I error probability. This formula is a direct function of the mean vectors and covariance matrices of the quantum Gaussian states in question. We give an application to quantum illumination, which is the task of determining whether there is a low-reflectivity object embedded in a target region with a bright thermal-noise bath. For the asymmetric-error setting, we find that a quantum illumination transmitter can achieve an error probability exponent stronger than a coherent-state transmitter of the same mean photon number, and furthermore, that it requires far fewer trials to do so. This occurs when the background thermal noise is either low or bright, which means that a quantum advantage is even easier to witness than in the symmetric-error setting because it occurs for a larger range of parameters. Going forward from here, we expect our formula to have applications in settings well beyond those considered in this paper, especially to quantum communication tasks involving quantum Gaussian channels.

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

    NASA Astrophysics Data System (ADS)

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

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

  9. Diffraction of a Gaussian Beam by a Spherical Obstacle

    NASA Technical Reports Server (NTRS)

    Lock, James A.; Hovenac, Edward A.

    1993-01-01

    The Kirchhoff integral for diffraction in the near-forward direction is derived from the exact solution of the electromagnetic boundary value problem of a focused Gaussian laser beam incident on a spherical particle. The diffracted intensity in the vicinity of the particle is computed and the way in which the features of the diffraction pattern depend on the width of the Gaussian beam is commented on.

  10. Recurrence plots of discrete-time Gaussian stochastic processes

    NASA Astrophysics Data System (ADS)

    Ramdani, Sofiane; Bouchara, Frédéric; Lagarde, Julien; Lesne, Annick

    2016-09-01

    We investigate the statistical properties of recurrence plots (RPs) of data generated by discrete-time stationary Gaussian random processes. We analytically derive the theoretical values of the probabilities of occurrence of recurrence points and consecutive recurrence points forming diagonals in the RP, with an embedding dimension equal to 1. These results allow us to obtain theoretical values of three measures: (i) the recurrence rate (REC) (ii) the percent determinism (DET) and (iii) RP-based estimation of the ε-entropy κ(ε) in the sense of correlation entropy. We apply these results to two Gaussian processes, namely first order autoregressive processes and fractional Gaussian noise. For these processes, we simulate a number of realizations and compare the RP-based estimations of the three selected measures to their theoretical values. These comparisons provide useful information on the quality of the estimations, such as the minimum required data length and threshold radius used to construct the RP.

  11. Time-optimal thermalization of single-mode Gaussian states

    NASA Astrophysics Data System (ADS)

    Carlini, Alberto; Mari, Andrea; Giovannetti, Vittorio

    2014-11-01

    We consider the problem of time-optimal control of a continuous bosonic quantum system subject to the action of a Markovian dissipation. In particular, we consider the case of a one-mode Gaussian quantum system prepared in an arbitrary initial state and which relaxes to the steady state due to the action of the dissipative channel. We assume that the unitary part of the dynamics is represented by Gaussian operations which preserve the Gaussian nature of the quantum state, i.e., arbitrary phase rotations, bounded squeezing, and unlimited displacements. In the ideal ansatz of unconstrained quantum control (i.e., when the unitary phase rotations, squeezing, and displacement of the mode can be performed instantaneously), we study how control can be optimized for speeding up the relaxation towards the fixed point of the dynamics and we analytically derive the optimal relaxation time. Our model has potential and interesting applications to the control of modes of electromagnetic radiation and of trapped levitated nanospheres.

  12. Accurate quantum chemical calculations

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1989-01-01

    An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

  13. Fast and accurate 3D tensor calculation of the Fock operator in a general basis

    NASA Astrophysics Data System (ADS)

    Khoromskaia, V.; Andrae, D.; Khoromskij, B. N.

    2012-11-01

    The present paper contributes to the construction of a “black-box” 3D solver for the Hartree-Fock equation by the grid-based tensor-structured methods. It focuses on the calculation of the Galerkin matrices for the Laplace and the nuclear potential operators by tensor operations using the generic set of basis functions with low separation rank, discretized on a fine N×N×N Cartesian grid. We prove the Ch2 error estimate in terms of mesh parameter, h=O(1/N), that allows to gain a guaranteed accuracy of the core Hamiltonian part in the Fock operator as h→0. However, the commonly used problem adapted basis functions have low regularity yielding a considerable increase of the constant C, hence, demanding a rather large grid-size N of about several tens of thousands to ensure the high resolution. Modern tensor-formatted arithmetics of complexity O(N), or even O(logN), practically relaxes the limitations on the grid-size. Our tensor-based approach allows to improve significantly the standard basis sets in quantum chemistry by including simple combinations of Slater-type, local finite element and other basis functions. Numerical experiments for moderate size organic molecules show efficiency and accuracy of grid-based calculations to the core Hamiltonian in the range of grid parameter N3˜1015.

  14. An accurate model for the computation of the dose of protons in water.

    PubMed

    Embriaco, A; Bellinzona, V E; Fontana, A; Rotondi, A

    2017-06-01

    The accurate and fast calculation of the dose in proton radiation therapy is an essential ingredient for successful treatments. We propose a novel approach with a minimal number of parameters. The approach is based on the exact calculation of the electromagnetic part of the interaction, namely the Molière theory of the multiple Coulomb scattering for the transversal 1D projection and the Bethe-Bloch formula for the longitudinal stopping power profile, including a gaussian energy straggling. To this e.m. contribution the nuclear proton-nucleus interaction is added with a simple two-parameter model. Then, the non gaussian lateral profile is used to calculate the radial dose distribution with a method that assumes the cylindrical symmetry of the distribution. The results, obtained with a fast C++ based computational code called MONET (MOdel of ioN dosE for Therapy), are in very good agreement with the FLUKA MC code, within a few percent in the worst case. This study provides a new tool for fast dose calculation or verification, possibly for clinical use. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

  15. Detection methods for non-Gaussian gravitational wave stochastic backgrounds

    NASA Astrophysics Data System (ADS)

    Drasco, Steve; Flanagan, Éanna É.

    2003-04-01

    A gravitational wave stochastic background can be produced by a collection of independent gravitational wave events. There are two classes of such backgrounds, one for which the ratio of the average time between events to the average duration of an event is small (i.e., many events are on at once), and one for which the ratio is large. In the first case the signal is continuous, sounds something like a constant hiss, and has a Gaussian probability distribution. In the second case, the discontinuous or intermittent signal sounds something like popcorn popping, and is described by a non-Gaussian probability distribution. In this paper we address the issue of finding an optimal detection method for such a non-Gaussian background. As a first step, we examine the idealized situation in which the event durations are short compared to the detector sampling time, so that the time structure of the events cannot be resolved, and we assume white, Gaussian noise in two collocated, aligned detectors. For this situation we derive an appropriate version of the maximum likelihood detection statistic. We compare the performance of this statistic to that of the standard cross-correlation statistic both analytically and with Monte Carlo simulations. In general the maximum likelihood statistic performs better than the cross-correlation statistic when the stochastic background is sufficiently non-Gaussian, resulting in a gain factor in the minimum gravitational-wave energy density necessary for detection. This gain factor ranges roughly between 1 and 3, depending on the duty cycle of the background, for realistic observing times and signal strengths for both ground and space based detectors. The computational cost of the statistic, although significantly greater than that of the cross-correlation statistic, is not unreasonable. Before the statistic can be used in practice with real detector data, further work is required to generalize our analysis to accommodate separated, misaligned

  16. Accuracy of dynamical-decoupling-based spectroscopy of Gaussian noise

    NASA Astrophysics Data System (ADS)

    Szańkowski, Piotr; Cywiński, Łukasz

    2018-03-01

    The fundamental assumption of dynamical-decoupling-based noise spectroscopy is that the coherence decay rate of qubit (or qubits) driven with a sequence of many pulses, is well approximated by the environmental noise spectrum spanned on frequency comb defined by the sequence. Here we investigate the precise conditions under which this commonly used spectroscopic approach is quantitatively correct. To this end we focus on two representative examples of spectral densities: the long-tailed Lorentzian, and finite-ranged Gaussian—both expected to be encountered when using the qubit for nanoscale nuclear resonance imaging. We have found that, in contrast to Lorentz spectrum, for which the corrections to the standard spectroscopic formulas can easily be made negligible, the spectra with finite range are more challenging to reconstruct accurately. For Gaussian line shape of environmental spectral density, direct application of the standard dynamical-decoupling-based spectroscopy leads to erroneous attribution of long-tail behavior to the reconstructed spectrum. Fortunately, artifacts such as this, can be completely avoided with the simple extension to standard reconstruction method.

  17. Mutual information of optical communication in phase-conjugating Gaussian channels

    NASA Astrophysics Data System (ADS)

    Schäfermeier, Clemens; Andersen, Ulrik L.

    2018-03-01

    In all practical communication channels, the code word consists of Gaussian states and the measurement strategy is often a Gaussian detector such as homodyning or heterodyning. We investigate the communication performance using a phase-conjugated alphabet and joint Gaussian detection in a phase-insensitive amplifying channel. We find that a communication scheme consisting of a phase-conjugating alphabet of coherent states and a joint detection strategy significantly outperforms a standard coherent-state strategy based in individual detection. Moreover, we show that the performance can be further enhanced by using entanglement and that the performance is completely independent of the gain of the phase-insensitively amplifying channel.

  18. Moving target detection method based on improved Gaussian mixture model

    NASA Astrophysics Data System (ADS)

    Ma, J. Y.; Jie, F. R.; Hu, Y. J.

    2017-07-01

    Gaussian Mixture Model is often employed to build background model in background difference methods for moving target detection. This paper puts forward an adaptive moving target detection algorithm based on improved Gaussian Mixture Model. According to the graylevel convergence for each pixel, adaptively choose the number of Gaussian distribution to learn and update background model. Morphological reconstruction method is adopted to eliminate the shadow.. Experiment proved that the proposed method not only has good robustness and detection effect, but also has good adaptability. Even for the special cases when the grayscale changes greatly and so on, the proposed method can also make outstanding performance.

  19. Basis for paraxial surface-plasmon-polariton packets

    NASA Astrophysics Data System (ADS)

    Martinez-Herrero, Rosario; Manjavacas, Alejandro

    2016-12-01

    We present a theoretical framework for the study of surface-plasmon polariton (SPP) packets propagating along a lossy metal-dielectric interface within the paraxial approximation. Using a rigorous formulation based on the plane-wave spectrum formalism, we introduce a set of modes that constitute a complete basis set for the solutions of Maxwell's equations for a metal-dielectric interface in the paraxial approximation. The use of this set of modes allows us to fully analyze the evolution of the transversal structure of SPP packets beyond the single plane-wave approximation. As a paradigmatic example, we analyze the case of a Gaussian SPP mode, for which, exploiting the analogy with paraxial optical beams, we introduce a set of parameters that characterize its propagation.

  20. Quantum error correction of continuous-variable states against Gaussian noise

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

    Ralph, T. C.

    2011-08-15

    We describe a continuous-variable error correction protocol that can correct the Gaussian noise induced by linear loss on Gaussian states. The protocol can be implemented using linear optics and photon counting. We explore the theoretical bounds of the protocol as well as the expected performance given current knowledge and technology.

  1. Multi-task Gaussian process for imputing missing data in multi-trait and multi-environment trials.

    PubMed

    Hori, Tomoaki; Montcho, David; Agbangla, Clement; Ebana, Kaworu; Futakuchi, Koichi; Iwata, Hiroyoshi

    2016-11-01

    A method based on a multi-task Gaussian process using self-measuring similarity gave increased accuracy for imputing missing phenotypic data in multi-trait and multi-environment trials. Multi-environmental trial (MET) data often encounter the problem of missing data. Accurate imputation of missing data makes subsequent analysis more effective and the results easier to understand. Moreover, accurate imputation may help to reduce the cost of phenotyping for thinned-out lines tested in METs. METs are generally performed for multiple traits that are correlated to each other. Correlation among traits can be useful information for imputation, but single-trait-based methods cannot utilize information shared by traits that are correlated. In this paper, we propose imputation methods based on a multi-task Gaussian process (MTGP) using self-measuring similarity kernels reflecting relationships among traits, genotypes, and environments. This framework allows us to use genetic correlation among multi-trait multi-environment data and also to combine MET data and marker genotype data. We compared the accuracy of three MTGP methods and iterative regularized PCA using rice MET data. Two scenarios for the generation of missing data at various missing rates were considered. The MTGP performed a better imputation accuracy than regularized PCA, especially at high missing rates. Under the 'uniform' scenario, in which missing data arise randomly, inclusion of marker genotype data in the imputation increased the imputation accuracy at high missing rates. Under the 'fiber' scenario, in which missing data arise in all traits for some combinations between genotypes and environments, the inclusion of marker genotype data decreased the imputation accuracy for most traits while increasing the accuracy in a few traits remarkably. The proposed methods will be useful for solving the missing data problem in MET data.

  2. Cosmic microwave background power asymmetry from non-Gaussian modulation.

    PubMed

    Schmidt, Fabian; Hui, Lam

    2013-01-04

    Non-Gaussianity in the inflationary perturbations can couple observable scales to modes of much longer wavelength (even superhorizon), leaving as a signature a large-angle modulation of the observed cosmic microwave background power spectrum. This provides an alternative origin for a power asymmetry that is otherwise often ascribed to a breaking of statistical isotropy. The non-Gaussian modulation effect can be significant even for typical ~10(-5) perturbations while respecting current constraints on non-Gaussianity if the squeezed limit of the bispectrum is sufficiently infrared divergent. Just such a strongly infrared-divergent bispectrum has been claimed for inflation models with a non-Bunch-Davies initial state, for instance. Upper limits on the observed cosmic microwave background power asymmetry place stringent constraints on the duration of inflation in such models.

  3. Invariant measures on multimode quantum Gaussian states

    NASA Astrophysics Data System (ADS)

    Lupo, C.; Mancini, S.; De Pasquale, A.; Facchi, P.; Florio, G.; Pascazio, S.

    2012-12-01

    We derive the invariant measure on the manifold of multimode quantum Gaussian states, induced by the Haar measure on the group of Gaussian unitary transformations. To this end, by introducing a bipartition of the system in two disjoint subsystems, we use a parameterization highlighting the role of nonlocal degrees of freedom—the symplectic eigenvalues—which characterize quantum entanglement across the given bipartition. A finite measure is then obtained by imposing a physically motivated energy constraint. By averaging over the local degrees of freedom we finally derive the invariant distribution of the symplectic eigenvalues in some cases of particular interest for applications in quantum optics and quantum information.

  4. Gaussian quadrature for multiple orthogonal polynomials

    NASA Astrophysics Data System (ADS)

    Coussement, Jonathan; van Assche, Walter

    2005-06-01

    We study multiple orthogonal polynomials of type I and type II, which have orthogonality conditions with respect to r measures. These polynomials are connected by their recurrence relation of order r+1. First we show a relation with the eigenvalue problem of a banded lower Hessenberg matrix Ln, containing the recurrence coefficients. As a consequence, we easily find that the multiple orthogonal polynomials of type I and type II satisfy a generalized Christoffel-Darboux identity. Furthermore, we explain the notion of multiple Gaussian quadrature (for proper multi-indices), which is an extension of the theory of Gaussian quadrature for orthogonal polynomials and was introduced by Borges. In particular, we show that the quadrature points and quadrature weights can be expressed in terms of the eigenvalue problem of Ln.

  5. Capacity and optimal collusion attack channels for Gaussian fingerprinting games

    NASA Astrophysics Data System (ADS)

    Wang, Ying; Moulin, Pierre

    2007-02-01

    In content fingerprinting, the same media covertext - image, video, audio, or text - is distributed to many users. A fingerprint, a mark unique to each user, is embedded into each copy of the distributed covertext. In a collusion attack, two or more users may combine their copies in an attempt to "remove" their fingerprints and forge a pirated copy. To trace the forgery back to members of the coalition, we need fingerprinting codes that can reliably identify the fingerprints of those members. Researchers have been focusing on designing or testing fingerprints for Gaussian host signals and the mean square error (MSE) distortion under some classes of collusion attacks, in terms of the detector's error probability in detecting collusion members. For example, under the assumptions of Gaussian fingerprints and Gaussian attacks (the fingerprinted signals are averaged and then the result is passed through a Gaussian test channel), Moulin and Briassouli1 derived optimal strategies in a game-theoretic framework that uses the detector's error probability as the performance measure for a binary decision problem (whether a user participates in the collusion attack or not); Stone2 and Zhao et al. 3 studied average and other non-linear collusion attacks for Gaussian-like fingerprints; Wang et al. 4 stated that the average collusion attack is the most efficient one for orthogonal fingerprints; Kiyavash and Moulin 5 derived a mathematical proof of the optimality of the average collusion attack under some assumptions. In this paper, we also consider Gaussian cover signals, the MSE distortion, and memoryless collusion attacks. We do not make any assumption about the fingerprinting codes used other than an embedding distortion constraint. Also, our only assumptions about the attack channel are an expected distortion constraint, a memoryless constraint, and a fairness constraint. That is, the colluders are allowed to use any arbitrary nonlinear strategy subject to the above

  6. Impact of Non-Gaussian Error Volumes on Conjunction Assessment Risk Analysis

    NASA Technical Reports Server (NTRS)

    Ghrist, Richard W.; Plakalovic, Dragan

    2012-01-01

    An understanding of how an initially Gaussian error volume becomes non-Gaussian over time is an important consideration for space-vehicle conjunction assessment. Traditional assumptions applied to the error volume artificially suppress the true non-Gaussian nature of the space-vehicle position uncertainties. For typical conjunction assessment objects, representation of the error volume by a state error covariance matrix in a Cartesian reference frame is a more significant limitation than is the assumption of linearized dynamics for propagating the error volume. In this study, the impact of each assumption is examined and isolated for each point in the volume. Limitations arising from representing the error volume in a Cartesian reference frame is corrected by employing a Monte Carlo approach to probability of collision (Pc), using equinoctial samples from the Cartesian position covariance at the time of closest approach (TCA) between the pair of space objects. A set of actual, higher risk (Pc >= 10 (exp -4)+) conjunction events in various low-Earth orbits using Monte Carlo methods are analyzed. The impact of non-Gaussian error volumes on Pc for these cases is minimal, even when the deviation from a Gaussian distribution is significant.

  7. Separation of components from a scale mixture of Gaussian white noises

    NASA Astrophysics Data System (ADS)

    Vamoş, Călin; Crăciun, Maria

    2010-05-01

    The time evolution of a physical quantity associated with a thermodynamic system whose equilibrium fluctuations are modulated in amplitude by a slowly varying phenomenon can be modeled as the product of a Gaussian white noise {Zt} and a stochastic process with strictly positive values {Vt} referred to as volatility. The probability density function (pdf) of the process Xt=VtZt is a scale mixture of Gaussian white noises expressed as a time average of Gaussian distributions weighted by the pdf of the volatility. The separation of the two components of {Xt} can be achieved by imposing the condition that the absolute values of the estimated white noise be uncorrelated. We apply this method to the time series of the returns of the daily S&P500 index, which has also been analyzed by means of the superstatistics method that imposes the condition that the estimated white noise be Gaussian. The advantage of our method is that this financial time series is processed without partitioning or removal of the extreme events and the estimated white noise becomes almost Gaussian only as result of the uncorrelation condition.

  8. Generation and propagation of a sine-azimuthal wavefront modulated Gaussian beam

    PubMed Central

    Lao, Guanming; Zhang, Zhaohui; Luo, Meilan; Zhao, Daomu

    2016-01-01

    We introduce a method for modulating the Gaussian beam by means of sine-azimuthal wavefront and carry out the experimental generation. The analytical propagation formula of such a beam passing through a paraxial ABCD optical system is derived, by which the intensity properties of the sine-azimuthal wavefront modulated Gaussian (SWMG) beam are examined both theoretically and experimentally. Both of the experimental and theoretical results show that the SWMG beam goes through the process from beam splitting to a Gaussian-like profile, which is closely determined by the phase factor and the propagation distance. Appropriate phase factor and short distance are helpful for the splitting of beam. However, in the cases of large phase factor and focal plane, the intensity distributions tend to take a Gaussian form. Such unique features may be of importance in particle trapping and medical applications. PMID:27443798

  9. Dynamic generation of Ince-Gaussian modes with a digital micromirror device

    NASA Astrophysics Data System (ADS)

    Ren, Yu-Xuan; Fang, Zhao-Xiang; Gong, Lei; Huang, Kun; Chen, Yue; Lu, Rong-De

    2015-04-01

    Ince-Gaussian (IG) beam with elliptical profile, as a connection between Hermite-Gaussian (HG) and Laguerre-Gaussian (LG) beams, has showed unique advantages in some applications such as quantum entanglement and optical micromanipulation. However, its dynamic generation with high switching frequency is still challenging. Here, we experimentally reported the quick generation of Ince-Gaussian beam by using a digital micro-mirror device (DMD), which has the highest switching frequency of 5.2 kHz in principle. The configurable properties of DMD allow us to observe the quasi-smooth variation from LG (with ellipticity ɛ = 0 ) to IG and HG ( ɛ = ∞ ) beam. This approach might pave a path to high-speed quantum communication in terms of IG beam. Additionally, the characterized axial plane intensity distribution exhibits a 3D mould potentially being employed for optical micromanipulation.

  10. Dynamic generation of Ince-Gaussian modes with a digital micromirror device

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

    Ren, Yu-Xuan, E-mail: yxren@ustc.edu.cn; Fang, Zhao-Xiang; Chen, Yue

    Ince-Gaussian (IG) beam with elliptical profile, as a connection between Hermite-Gaussian (HG) and Laguerre-Gaussian (LG) beams, has showed unique advantages in some applications such as quantum entanglement and optical micromanipulation. However, its dynamic generation with high switching frequency is still challenging. Here, we experimentally reported the quick generation of Ince-Gaussian beam by using a digital micro-mirror device (DMD), which has the highest switching frequency of 5.2 kHz in principle. The configurable properties of DMD allow us to observe the quasi-smooth variation from LG (with ellipticity ε=0) to IG and HG (ε=∞) beam. This approach might pave a path to high-speedmore » quantum communication in terms of IG beam. Additionally, the characterized axial plane intensity distribution exhibits a 3D mould potentially being employed for optical micromanipulation.« less

  11. Diffusion of Super-Gaussian Profiles

    ERIC Educational Resources Information Center

    Rosenberg, C.-J.; Anderson, D.; Desaix, M.; Johannisson, P.; Lisak, M.

    2007-01-01

    The present analysis describes an analytically simple and systematic approximation procedure for modelling the free diffusive spreading of initially super-Gaussian profiles. The approach is based on a self-similar ansatz for the evolution of the diffusion profile, and the parameter functions involved in the modelling are determined by suitable…

  12. Aberration analysis and calculation in system of Gaussian beam illuminates lenslet array

    NASA Astrophysics Data System (ADS)

    Zhao, Zhu; Hui, Mei; Zhou, Ping; Su, Tianquan; Feng, Yun; Zhao, Yuejin

    2014-09-01

    Low order aberration was founded when focused Gaussian beam imaging at Kodak KAI -16000 image detector, which is integrated with lenslet array. Effect of focused Gaussian beam and numerical simulation calculation of the aberration were presented in this paper. First, we set up a model of optical imaging system based on previous experiment. Focused Gaussian beam passed through a pinhole and was received by Kodak KAI -16000 image detector whose microlenses of lenslet array were exactly focused on sensor surface. Then, we illustrated the characteristics of focused Gaussian beam and the effect of relative space position relations between waist of Gaussian beam and front spherical surface of microlenses to the aberration. Finally, we analyzed the main element of low order aberration and calculated the spherical aberration caused by lenslet array according to the results of above two steps. Our theoretical calculations shown that , the numerical simulation had a good agreement with the experimental result. Our research results proved that spherical aberration was the main element and made up about 93.44% of the 48 nm error, which was demonstrated in previous experiment. The spherical aberration is inversely proportional to the value of divergence distance between microlens and waist, and directly proportional to the value of the Gaussian beam waist radius.

  13. Mapping of compositional properties of coal using isometric log-ratio transformation and sequential Gaussian simulation - A comparative study for spatial ultimate analyses data.

    PubMed

    Karacan, C Özgen; Olea, Ricardo A

    2018-03-01

    Chemical properties of coal largely determine coal handling, processing, beneficiation methods, and design of coal-fired power plants. Furthermore, these properties impact coal strength, coal blending during mining, as well as coal's gas content, which is important for mining safety. In order for these processes and quantitative predictions to be successful, safer, and economically feasible, it is important to determine and map chemical properties of coals accurately in order to infer these properties prior to mining. Ultimate analysis quantifies principal chemical elements in coal. These elements are C, H, N, S, O, and, depending on the basis, ash, and/or moisture. The basis for the data is determined by the condition of the sample at the time of analysis, with an "as-received" basis being the closest to sampling conditions and thus to the in-situ conditions of the coal. The parts determined or calculated as the result of ultimate analyses are compositions, reported in weight percent, and pose the challenges of statistical analyses of compositional data. The treatment of parts using proper compositional methods may be even more important in mapping them, as most mapping methods carry uncertainty due to partial sampling as well. In this work, we map the ultimate analyses parts of the Springfield coal from an Indiana section of the Illinois basin, USA, using sequential Gaussian simulation of isometric log-ratio transformed compositions. We compare the results with those of direct simulations of compositional parts. We also compare the implications of these approaches in calculating other properties using correlations to identify the differences and consequences. Although the study here is for coal, the methods described in the paper are applicable to any situation involving compositional data and its mapping.

  14. A non-gaussian model of continuous atmospheric turbulence for use in aircraft design

    NASA Technical Reports Server (NTRS)

    Reeves, P. M.; Joppa, R. G.; Ganzer, V. M.

    1976-01-01

    A non-Gaussian model of atmospheric turbulence is presented and analyzed. The model is restricted to the regions of the atmosphere where the turbulence is steady or continuous, and the assumptions of homogeneity and stationarity are justified. Also spatial distribution of turbulence is neglected, so the model consists of three independent, stationary stochastic processes which represent the vertical, lateral, and longitudinal gust components. The non-Gaussian and Gaussian models are compared with experimental data, and it is shown that the Gaussian model underestimates the number of high velocity gusts which occur in the atmosphere, while the non-Gaussian model can be adjusted to match the observed high velocity gusts more satisfactorily. Application of the proposed model to aircraft response is investigated, with particular attention to the response power spectral density, the probability distribution, and the level crossing frequency. A numerical example is presented which illustrates the application of the non-Gaussian model to the study of an aircraft autopilot system. Listings and sample results of a number of computer programs used in working with the model are included.

  15. Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

    PubMed

    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

  16. The Augmented Lagrange Multipliers Method for Matrix Completion from Corrupted Samplings with Application to Mixed Gaussian-Impulse Noise Removal

    PubMed Central

    Meng, Fan; Yang, Xiaomei; Zhou, Chenghu

    2014-01-01

    This paper studies the problem of the restoration of images corrupted by mixed Gaussian-impulse noise. In recent years, low-rank matrix reconstruction has become a research hotspot in many scientific and engineering domains such as machine learning, image processing, computer vision and bioinformatics, which mainly involves the problem of matrix completion and robust principal component analysis, namely recovering a low-rank matrix from an incomplete but accurate sampling subset of its entries and from an observed data matrix with an unknown fraction of its entries being arbitrarily corrupted, respectively. Inspired by these ideas, we consider the problem of recovering a low-rank matrix from an incomplete sampling subset of its entries with an unknown fraction of the samplings contaminated by arbitrary errors, which is defined as the problem of matrix completion from corrupted samplings and modeled as a convex optimization problem that minimizes a combination of the nuclear norm and the -norm in this paper. Meanwhile, we put forward a novel and effective algorithm called augmented Lagrange multipliers to exactly solve the problem. For mixed Gaussian-impulse noise removal, we regard it as the problem of matrix completion from corrupted samplings, and restore the noisy image following an impulse-detecting procedure. Compared with some existing methods for mixed noise removal, the recovery quality performance of our method is dominant if images possess low-rank features such as geometrically regular textures and similar structured contents; especially when the density of impulse noise is relatively high and the variance of Gaussian noise is small, our method can outperform the traditional methods significantly not only in the simultaneous removal of Gaussian noise and impulse noise, and the restoration ability for a low-rank image matrix, but also in the preservation of textures and details in the image. PMID:25248103

  17. Fractional Fourier transform of truncated elliptical Gaussian beams.

    PubMed

    Du, Xinyue; Zhao, Daomu

    2006-12-20

    Based on the fact that a hard-edged elliptical aperture can be expanded approximately as a finite sum of complex Gaussian functions in tensor form, an analytical expression for an elliptical Gaussian beam (EGB) truncated by an elliptical aperture and passing through a fractional Fourier transform system is derived by use of vector integration. The approximate analytical results provide more convenience for studying the propagation and transformation of truncated EGBs than the usual way by using the integral formula directly, and the efficiency of numerical calculation is significantly improved.

  18. Irradiance tailoring by fractional Fourier transform of a radial Gaussian beam array

    NASA Astrophysics Data System (ADS)

    Zhou, Pu; Wang, Xiaolin; Ma, Yanxing; Ma, Haotong; Liu, Zejin

    2011-03-01

    The fractional Fourier transform (FRFT) is applied to a radial Gaussian beam array. Analytical formula is derived for the irradiance distribution of coherent and incoherent radial Gaussian beam array in FRFT domain using Collins integral formula. It is revealed that the irradiance pattern can be tailored to be controllable dark-hollow, flat-topped and Gaussian beam pattern by changing of the fractional order of FRFT and the coherent state of the laser array.

  19. Irradiance tailoring by fractional Fourier transform of a radial Gaussian beam array

    NASA Astrophysics Data System (ADS)

    Zhou, Pu; Wang, Xiaolin; Ma, Yanxing; Ma, Haotong; Liu, Zejin

    2010-07-01

    The fractional Fourier transform (FRFT) is applied to a radial Gaussian beam array. Analytical formula is derived for the irradiance distribution of coherent and incoherent radial Gaussian beam array in FRFT domain using Collins integral formula. It is revealed that the irradiance pattern can be tailored to be controllable dark-hollow, flat-topped and Gaussian beam pattern by changing of the fractional order of FRFT and the coherent state of the laser array.

  20. Gaussian quantum steering and its asymmetry in curved spacetime

    NASA Astrophysics Data System (ADS)

    Wang, Jieci; Cao, Haixin; Jing, Jiliang; Fan, Heng

    2016-06-01

    We study Gaussian quantum steering and its asymmetry in the background of a Schwarzschild black hole. We present a Gaussian channel description of quantum state evolution under the influence of Hawking radiation. We find that thermal noise introduced by the Hawking effect will destroy the steerability between an inertial observer Alice and an accelerated observer Bob who hovers outside the event horizon, while it generates steerability between Bob and a hypothetical observer anti-Bob inside the event horizon. Unlike entanglement behaviors in curved spacetime, here the steering from Alice to Bob suffers from a "sudden death" and the steering from anti-Bob to Bob experiences a "sudden birth" with increasing Hawking temperature. We also find that the Gaussian steering is always asymmetric and the maximum steering asymmetry cannot exceed ln 2 , which means the state never evolves to an extremal asymmetry state. Furthermore, we obtain the parameter settings that maximize steering asymmetry and find that (i) s =arccosh cosh/2r 1 -sinh2r is the critical point of steering asymmetry and (ii) the attainment of maximal steering asymmetry indicates the transition between one-way steerability and both-way steerability for the two-mode Gaussian state under the influence of Hawking radiation.

  1. Accurate dipole moment curve and non-adiabatic effects on the high resolution spectroscopic properties of the LiH molecule

    NASA Astrophysics Data System (ADS)

    Diniz, Leonardo G.; Kirnosov, Nikita; Alijah, Alexander; Mohallem, José R.; Adamowicz, Ludwik

    2016-04-01

    A very accurate dipole moment curve (DMC) for the ground X1Σ+ electronic state of the 7LiH molecule is reported. It is calculated with the use of all-particle explicitly correlated Gaussian functions with shifted centers. The DMC - the most accurate to our knowledge - and the corresponding highly accurate potential energy curve are used to calculate the transition energies, the transition dipole moments, and the Einstein coefficients for the rovibrational transitions with ΔJ = - 1 and Δv ⩽ 5 . The importance of the non-adiabatic effects in determining these properties is evaluated using the model of a vibrational R-dependent effective reduced mass in the rovibrational calculations introduced earlier (Diniz et al., 2015). The results of the present calculations are used to assess the quality of the two complete linelists of 7LiH available in the literature.

  2. Gaussian white noise as a resource for work extraction.

    PubMed

    Dechant, Andreas; Baule, Adrian; Sasa, Shin-Ichi

    2017-03-01

    We show that uncorrelated Gaussian noise can drive a system out of equilibrium and can serve as a resource from which work can be extracted. We consider an overdamped particle in a periodic potential with an internal degree of freedom and a state-dependent friction, coupled to an equilibrium bath. Applying additional Gaussian white noise drives the system into a nonequilibrium steady state and causes a finite current if the potential is spatially asymmetric. The model thus operates as a Brownian ratchet, whose current we calculate explicitly in three complementary limits. Since the particle current is driven solely by additive Gaussian white noise, this shows that the latter can potentially perform work against an external load. By comparing the extracted power to the energy injection due to the noise, we discuss the efficiency of such a ratchet.

  3. Asymptotic behavior and interpretation of virtual states: The effects of confinement and of basis sets

    NASA Astrophysics Data System (ADS)

    Boffi, Nicholas M.; Jain, Manish; Natan, Amir

    2016-02-01

    A real-space high order finite difference method is used to analyze the effect of spherical domain size on the Hartree-Fock (and density functional theory) virtual eigenstates. We show the domain size dependence of both positive and negative virtual eigenvalues of the Hartree-Fock equations for small molecules. We demonstrate that positive states behave like a particle in spherical well and show how they approach zero. For the negative eigenstates, we show that large domains are needed to get the correct eigenvalues. We compare our results to those of Gaussian basis sets and draw some conclusions for real-space, basis-sets, and plane-waves calculations.

  4. Simulations of Gaussian electron guns for RHIC electron lens

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

    Pikin, A.

    Simulations of two versions of the electron gun for RHIC electron lens are presented. The electron guns have to generate an electron beam with Gaussian radial profile of the electron beam density. To achieve the Gaussian electron emission profile on the cathode we used a combination of the gun electrodes and shaping of the cathode surface. Dependence of electron gun performance parameters on the geometry of electrodes and the margins for electrodes positioning are presented.

  5. Linear velocity fields in non-Gaussian models for large-scale structure

    NASA Technical Reports Server (NTRS)

    Scherrer, Robert J.

    1992-01-01

    Linear velocity fields in two types of physically motivated non-Gaussian models are examined for large-scale structure: seed models, in which the density field is a convolution of a density profile with a distribution of points, and local non-Gaussian fields, derived from a local nonlinear transformation on a Gaussian field. The distribution of a single component of the velocity is derived for seed models with randomly distributed seeds, and these results are applied to the seeded hot dark matter model and the global texture model with cold dark matter. An expression for the distribution of a single component of the velocity in arbitrary local non-Gaussian models is given, and these results are applied to such fields with chi-squared and lognormal distributions. It is shown that all seed models with randomly distributed seeds and all local non-Guassian models have single-component velocity distributions with positive kurtosis.

  6. Analyzing x-ray hotspot images with Ince-Gaussian modes

    NASA Astrophysics Data System (ADS)

    Kruse, Michael; Field, John; Nora, Ryan; Benedetti, Robin; Khan, Shahab; Ma, Tammy; Peterson, Luc; Spears, Brian

    2017-10-01

    X-ray images at the National Ignition Facility (NIF) provide important metrics regarding the shape of the hotspot along a given line-of-sight. The 17% contour from peak brightness is usually used to infer the size of the hotspot as well as determine shape perturbations quantified through the Legendre coefficients P2 and P4. Unfortunately features that lie inside the contour such as those that could arise from tent or fill-tube perturbations are not easily captured. An analysis that takes into account the two-dimensional nature of the x-ray image is desirable. Ince-Gaussian modes (for short: Ince) offer such an analysis and could provide a new way to encode and understand the images recorded at NIF. The Ince modes are the solutions to the paraxial wave equation expressed in elliptical coordinates and thus form an orthonormal basis. Due to their elliptical nature they are suitable for decomposing images that have a non-zero P2 or P4 coefficient. We show that the Ince modes can be used to uncover structure that is missed by the contour analysis and how the modes aid in compressing images produced in large ensemble calculations. Finally a comparison is made to the Zernike modes which form an orthonormal basis on a circular disk. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-734741.

  7. Fock expansion of multimode pure Gaussian states

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

    Cariolaro, Gianfranco; Pierobon, Gianfranco, E-mail: gianfranco.pierobon@unipd.it

    2015-12-15

    The Fock expansion of multimode pure Gaussian states is derived starting from their representation as displaced and squeezed multimode vacuum states. The approach is new and appears to be simpler and more general than previous ones starting from the phase-space representation given by the characteristic or Wigner function. Fock expansion is performed in terms of easily evaluable two-variable Hermite–Kampé de Fériet polynomials. A relatively simple and compact expression for the joint statistical distribution of the photon numbers in the different modes is obtained. In particular, this result enables one to give a simple characterization of separable and entangled states, asmore » shown for two-mode and three-mode Gaussian states.« less

  8. On the insufficiency of arbitrarily precise covariance matrices: non-Gaussian weak-lensing likelihoods

    NASA Astrophysics Data System (ADS)

    Sellentin, Elena; Heavens, Alan F.

    2018-01-01

    We investigate whether a Gaussian likelihood, as routinely assumed in the analysis of cosmological data, is supported by simulated survey data. We define test statistics, based on a novel method that first destroys Gaussian correlations in a data set, and then measures the non-Gaussian correlations that remain. This procedure flags pairs of data points that depend on each other in a non-Gaussian fashion, and thereby identifies where the assumption of a Gaussian likelihood breaks down. Using this diagnosis, we find that non-Gaussian correlations in the CFHTLenS cosmic shear correlation functions are significant. With a simple exclusion of the most contaminated data points, the posterior for s8 is shifted without broadening, but we find no significant reduction in the tension with s8 derived from Planck cosmic microwave background data. However, we also show that the one-point distributions of the correlation statistics are noticeably skewed, such that sound weak-lensing data sets are intrinsically likely to lead to a systematically low lensing amplitude being inferred. The detected non-Gaussianities get larger with increasing angular scale such that for future wide-angle surveys such as Euclid or LSST, with their very small statistical errors, the large-scale modes are expected to be increasingly affected. The shifts in posteriors may then not be negligible and we recommend that these diagnostic tests be run as part of future analyses.

  9. Optimisation of dispersion parameters of Gaussian plume model for CO₂ dispersion.

    PubMed

    Liu, Xiong; Godbole, Ajit; Lu, Cheng; Michal, Guillaume; Venton, Philip

    2015-11-01

    The carbon capture and storage (CCS) and enhanced oil recovery (EOR) projects entail the possibility of accidental release of carbon dioxide (CO2) into the atmosphere. To quantify the spread of CO2 following such release, the 'Gaussian' dispersion model is often used to estimate the resulting CO2 concentration levels in the surroundings. The Gaussian model enables quick estimates of the concentration levels. However, the traditionally recommended values of the 'dispersion parameters' in the Gaussian model may not be directly applicable to CO2 dispersion. This paper presents an optimisation technique to obtain the dispersion parameters in order to achieve a quick estimation of CO2 concentration levels in the atmosphere following CO2 blowouts. The optimised dispersion parameters enable the Gaussian model to produce quick estimates of CO2 concentration levels, precluding the necessity to set up and run much more complicated models. Computational fluid dynamics (CFD) models were employed to produce reference CO2 dispersion profiles in various atmospheric stability classes (ASC), different 'source strengths' and degrees of ground roughness. The performance of the CFD models was validated against the 'Kit Fox' field measurements, involving dispersion over a flat horizontal terrain, both with low and high roughness regions. An optimisation model employing a genetic algorithm (GA) to determine the best dispersion parameters in the Gaussian plume model was set up. Optimum values of the dispersion parameters for different ASCs that can be used in the Gaussian plume model for predicting CO2 dispersion were obtained.

  10. Theory and generation of conditional, scalable sub-Gaussian random fields

    NASA Astrophysics Data System (ADS)

    Panzeri, M.; Riva, M.; Guadagnini, A.; Neuman, S. P.

    2016-03-01

    Many earth and environmental (as well as a host of other) variables, Y, and their spatial (or temporal) increments, ΔY, exhibit non-Gaussian statistical scaling. Previously we were able to capture key aspects of such non-Gaussian scaling by treating Y and/or ΔY as sub-Gaussian random fields (or processes). This however left unaddressed the empirical finding that whereas sample frequency distributions of Y tend to display relatively mild non-Gaussian peaks and tails, those of ΔY often reveal peaks that grow sharper and tails that become heavier with decreasing separation distance or lag. Recently we proposed a generalized sub-Gaussian model (GSG) which resolves this apparent inconsistency between the statistical scaling behaviors of observed variables and their increments. We presented an algorithm to generate unconditional random realizations of statistically isotropic or anisotropic GSG functions and illustrated it in two dimensions. Most importantly, we demonstrated the feasibility of estimating all parameters of a GSG model underlying a single realization of Y by analyzing jointly spatial moments of Y data and corresponding increments, ΔY. Here, we extend our GSG model to account for noisy measurements of Y at a discrete set of points in space (or time), present an algorithm to generate conditional realizations of corresponding isotropic or anisotropic random fields, introduce two approximate versions of this algorithm to reduce CPU time, and explore them on one and two-dimensional synthetic test cases.

  11. Clustering of Multispectral Airborne Laser Scanning Data Using Gaussian Decomposition

    NASA Astrophysics Data System (ADS)

    Morsy, S.; Shaker, A.; El-Rabbany, A.

    2017-09-01

    With the evolution of the LiDAR technology, multispectral airborne laser scanning systems are currently available. The first operational multispectral airborne LiDAR sensor, the Optech Titan, acquires LiDAR point clouds at three different wavelengths (1.550, 1.064, 0.532 μm), allowing the acquisition of different spectral information of land surface. Consequently, the recent studies are devoted to use the radiometric information (i.e., intensity) of the LiDAR data along with the geometric information (e.g., height) for classification purposes. In this study, a data clustering method, based on Gaussian decomposition, is presented. First, a ground filtering mechanism is applied to separate non-ground from ground points. Then, three normalized difference vegetation indices (NDVIs) are computed for both non-ground and ground points, followed by histograms construction from each NDVI. The Gaussian function model is used to decompose the histograms into a number of Gaussian components. The maximum likelihood estimate of the Gaussian components is then optimized using Expectation - Maximization algorithm. The intersection points of the adjacent Gaussian components are subsequently used as threshold values, whereas different classes can be clustered. This method is used to classify the terrain of an urban area in Oshawa, Ontario, Canada, into four main classes, namely roofs, trees, asphalt and grass. It is shown that the proposed method has achieved an overall accuracy up to 95.1 % using different NDVIs.

  12. Accurate potential energy surface for the 1(2)A' state of NH(2): scaling of external correlation versus extrapolation to the complete basis set limit.

    PubMed

    Li, Y Q; Varandas, A J C

    2010-09-16

    An accurate single-sheeted double many-body expansion potential energy surface is reported for the title system which is suitable for dynamics and kinetics studies of the reactions of N(2D) + H2(X1Sigmag+) NH(a1Delta) + H(2S) and their isotopomeric variants. It is obtained by fitting ab initio energies calculated at the multireference configuration interaction level with the aug-cc-pVQZ basis set, after slightly correcting semiempirically the dynamical correlation using the double many-body expansion-scaled external correlation method. The function so obtained is compared in detail with a potential energy surface of the same family obtained by extrapolating the calculated raw energies to the complete basis set limit. The topographical features of the novel global potential energy surface are examined in detail and found to be in general good agreement with those calculated directly from the raw ab initio energies, as well as previous calculations available in the literature. The novel function has been built so as to become degenerate at linear geometries with the ground-state potential energy surface of A'' symmetry reported by our group, where both form a Renner-Teller pair.

  13. Vibronic Boson Sampling: Generalized Gaussian Boson Sampling for Molecular Vibronic Spectra at Finite Temperature.

    PubMed

    Huh, Joonsuk; Yung, Man-Hong

    2017-08-07

    Molecular vibroic spectroscopy, where the transitions involve non-trivial Bosonic correlation due to the Duschinsky Rotation, is strongly believed to be in a similar complexity class as Boson Sampling. At finite temperature, the problem is represented as a Boson Sampling experiment with correlated Gaussian input states. This molecular problem with temperature effect is intimately related to the various versions of Boson Sampling sharing the similar computational complexity. Here we provide a full description to this relation in the context of Gaussian Boson Sampling. We find a hierarchical structure, which illustrates the relationship among various Boson Sampling schemes. Specifically, we show that every instance of Gaussian Boson Sampling with an initial correlation can be simulated by an instance of Gaussian Boson Sampling without initial correlation, with only a polynomial overhead. Since every Gaussian state is associated with a thermal state, our result implies that every sampling problem in molecular vibronic transitions, at any temperature, can be simulated by Gaussian Boson Sampling associated with a product of vacuum modes. We refer such a generalized Gaussian Boson Sampling motivated by the molecular sampling problem as Vibronic Boson Sampling.

  14. Biasing and the search for primordial non-Gaussianity beyond the local type

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

    Gleyzes, Jérôme; De Putter, Roland; Doré, Olivier

    Primordial non-Gaussianity encodes valuable information about the physics of inflation, including the spectrum of particles and interactions. Significant improvements in our understanding of non-Gaussanity beyond Planck require information from large-scale structure. The most promising approach to utilize this information comes from the scale-dependent bias of halos. For local non-Gaussanity, the improvements available are well studied but the potential for non-Gaussianity beyond the local type, including equilateral and quasi-single field inflation, is much less well understood. In this paper, we forecast the capabilities of large-scale structure surveys to detect general non-Gaussianity through galaxy/halo power spectra. We study how non-Gaussanity can bemore » distinguished from a general biasing model and where the information is encoded. For quasi-single field inflation, significant improvements over Planck are possible in some regions of parameter space. We also show that the multi-tracer technique can significantly improve the sensitivity for all non-Gaussianity types, providing up to an order of magnitude improvement for equilateral non-Gaussianity over the single-tracer measurement.« less

  15. Improved Discrete Approximation of Laplacian of Gaussian

    NASA Technical Reports Server (NTRS)

    Shuler, Robert L., Jr.

    2004-01-01

    An improved method of computing a discrete approximation of the Laplacian of a Gaussian convolution of an image has been devised. The primary advantage of the method is that without substantially degrading the accuracy of the end result, it reduces the amount of information that must be processed and thus reduces the amount of circuitry needed to perform the Laplacian-of- Gaussian (LOG) operation. Some background information is necessary to place the method in context. The method is intended for application to the LOG part of a process of real-time digital filtering of digitized video data that represent brightnesses in pixels in a square array. The particular filtering process of interest is one that converts pixel brightnesses to binary form, thereby reducing the amount of information that must be performed in subsequent correlation processing (e.g., correlations between images in a stereoscopic pair for determining distances or correlations between successive frames of the same image for detecting motions). The Laplacian is often included in the filtering process because it emphasizes edges and textures, while the Gaussian is often included because it smooths out noise that might not be consistent between left and right images or between successive frames of the same image.

  16. Gyrator transform of generalized sine-Gaussian beams and conversion an edge-dislocation into a vortex

    NASA Astrophysics Data System (ADS)

    Zhu, Kaicheng; Tang, Huiqin; Tang, Ying; Xia, Hui

    2014-12-01

    We proposed a scheme that converts a sine-Gaussian beam with an edge dislocation into a dark hollow beam with a vortex. Based on the gyrator transform (GT) relation, the closed-form field distribution of generalized sine-Gaussian beams passing through a GT system is derived; the intensity distribution and the corresponding phase distribution associated with the transforming generalized sine-Gaussian beams are analyzed. According to the numerical method, the distributions are graphically demonstrated and found that, for appropriate beam parameters and the GT angle, dark hollow vortex beams with topological charge 1 can be achieved using sine-Gaussian beams carrying an edge dislocation. Moreover, the orbital angular momentum content of a GT sine-Gaussian beam is analyzed. It is proved that the GT retains the odd- or even-order spiral harmonics structures of generalized sine-Gaussian beams in the transform process. In particular, it is wholly possible to convert an edge dislocation embedded in sine-Gaussian beams into a vortex with GT. The study also reveals that to obtain a dark hollow beam making use of GT of cos-Gaussian beams is impossible.

  17. Novel approach for tomographic reconstruction of gas concentration distributions in air: Use of smooth basis functions and simulated annealing

    NASA Astrophysics Data System (ADS)

    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.

  18. Elegant Ince—Gaussian breathers in strongly nonlocal nonlinear media

    NASA Astrophysics Data System (ADS)

    Bai, Zhi-Yong; Deng, Dong-Mei; Guo, Qi

    2012-06-01

    A novel class of optical breathers, called elegant Ince—Gaussian breathers, are presented in this paper. They are exact analytical solutions to Snyder and Mitchell's mode in an elliptic coordinate system, and their transverse structures are described by Ince-polynomials with complex arguments and a Gaussian function. We provide convincing evidence for the correctness of the solutions and the existence of the breathers via comparing the analytical solutions with numerical simulation of the nonlocal nonlinear Schrödinger equation.

  19. The semantic Stroop effect: An ex-Gaussian analysis.

    PubMed

    White, Darcy; Risko, Evan F; Besner, Derek

    2016-10-01

    Previous analyses of the standard Stroop effect (which typically uses color words that form part of the response set) have documented effects on mean reaction times in hundreds of experiments in the literature. Less well known is the fact that ex-Gaussian analyses reveal that such effects are seen in (a) the mean of the normal distribution (mu), as well as in (b) the standard deviation of the normal distribution (sigma) and (c) the tail (tau). No ex-Gaussian analysis exists in the literature with respect to the semantically based Stroop effect (which contrasts incongruent color-associated words with, e.g., neutral controls). In the present experiments, we investigated whether the semantically based Stroop effect is also seen in the three ex-Gaussian parameters. Replicating previous reports, color naming was slower when the color was carried by an irrelevant (but incongruent) color-associated word (e.g., sky, tomato) than when the control items consisted of neutral words (e.g., keg, palace) in each of four experiments. An ex-Gaussian analysis revealed that this semantically based Stroop effect was restricted to the arithmetic mean and mu; no semantic Stroop effect was observed in tau. These data are consistent with the views (1) that there is a clear difference in the source of the semantic Stroop effect, as compared to the standard Stroop effect (evidenced by the presence vs. absence of an effect on tau), and (2) that interference associated with response competition on incongruent trials in tau is absent in the semantic Stroop effect.

  20. Algorithm for quantum-mechanical finite-nuclear-mass variational calculations of atoms with two p electrons using all-electron explicitly correlated Gaussian basis functions

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

    Sharkey, Keeper L.; Pavanello, Michele; Bubin, Sergiy

    2009-12-15

    A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with two p electrons or a single d electron have been derived and implemented. The Hamiltonian used in the approach was obtained by rigorously separating the center-of-mass motion and it explicitly depends on the finite mass of the nucleus. The approach was employed to perform test calculations on the isotopes of the carbon atom in their ground electronic states and to determine the finite-nuclear-mass corrections for these states.

  1. Non-Gaussian Analysis of Turbulent Boundary Layer Fluctuating Pressure on Aircraft Skin Panels

    NASA Technical Reports Server (NTRS)

    Rizzi, Stephen A.; Steinwolf, Alexander

    2005-01-01

    The purpose of the study is to investigate the probability density function (PDF) of turbulent boundary layer fluctuating pressures measured on the outer sidewall of a supersonic transport aircraft and to approximate these PDFs by analytical models. Experimental flight results show that the fluctuating pressure PDFs differ from the Gaussian distribution even for standard smooth surface conditions. The PDF tails are wider and longer than those of the Gaussian model. For pressure fluctuations in front of forward-facing step discontinuities, deviations from the Gaussian model are more significant and the PDFs become asymmetrical. There is a certain spatial pattern of the skewness and kurtosis behavior depending on the distance upstream from the step. All characteristics related to non-Gaussian behavior are highly dependent upon the distance from the step and the step height, less dependent on aircraft speed, and not dependent on the fuselage location. A Hermite polynomial transform model and a piecewise-Gaussian model fit the flight data well both for the smooth and stepped conditions. The piecewise-Gaussian approximation can be additionally regarded for convenience in usage after the model is constructed.

  2. Stability of Ince-Gaussian beams in elliptical core few-mode fibers.

    PubMed

    Sakpal, Sahil; Milione, Giovanni; Li, Min-Jun; Nouri, Mehdi; Shahoei, Hiva; LaFave, Tim; Ashrafi, Solyman; MacFarlane, Duncan

    2018-06-01

    A comparative stability analysis of Ince-Gaussian and Hermite-Gaussian modes in elliptical core few-mode fibers is provided to inform the design of spatial division multiplexing systems. The correlation method is used to construct crosstalk matrices that characterize the spatial modes of the fiber. Up to six low-order modes are shown to exhibit about -20  dB crosstalk. The crosstalk performance of each mode set is found to be similar. However, a direct comparison between modes of equal Gouy phase shift, a parameter that ensures identical beam quality, and phase at the detector, demonstrates better relative power transmission for Ince-Gaussian beams. This result is consistent with the natural modes supported by a 100 m elliptical core fiber for which a mode ellipticity of ϵ=2 was found to be optimal. The relative power difference is expected to be magnified over longer fiber lengths in favor of Ince-Gaussian modes.

  3. Polynomial approximation of non-Gaussian unitaries by counting one photon at a time

    NASA Astrophysics Data System (ADS)

    Arzani, Francesco; Treps, Nicolas; Ferrini, Giulia

    2017-05-01

    In quantum computation with continuous-variable systems, quantum advantage can only be achieved if some non-Gaussian resource is available. Yet, non-Gaussian unitary evolutions and measurements suited for computation are challenging to realize in the laboratory. We propose and analyze two methods to apply a polynomial approximation of any unitary operator diagonal in the amplitude quadrature representation, including non-Gaussian operators, to an unknown input state. Our protocols use as a primary non-Gaussian resource a single-photon counter. We use the fidelity of the transformation with the target one on Fock and coherent states to assess the quality of the approximate gate.

  4. Gaussian content as a laser beam quality parameter.

    PubMed

    Ruschin, Shlomo; Yaakobi, Elad; Shekel, Eyal

    2011-08-01

    We propose the Gaussian content (GC) as an optional quality parameter for the characterization of laser beams. It is defined as the overlap integral of a given field with an optimally defined Gaussian. The definition is especially suited for applications where coherence properties are targeted. Mathematical definitions and basic calculation procedures are given along with results for basic beam profiles. The coherent combination of an array of laser beams and the optimal coupling between a diode laser and a single-mode fiber are elaborated as application examples. The measurement of the GC and its conservation upon propagation are experimentally confirmed.

  5. A Gaussian beam method for ultrasonic non-destructive evaluation modeling

    NASA Astrophysics Data System (ADS)

    Jacquet, O.; Leymarie, N.; Cassereau, D.

    2018-05-01

    The propagation of high-frequency ultrasonic body waves can be efficiently estimated with a semi-analytic Dynamic Ray Tracing approach using paraxial approximation. Although this asymptotic field estimation avoids the computational cost of numerical methods, it may encounter several limitations in reproducing identified highly interferential features. Nevertheless, some can be managed by allowing paraxial quantities to be complex-valued. This gives rise to localized solutions, known as paraxial Gaussian beams. Whereas their propagation and transmission/reflection laws are well-defined, the fact remains that the adopted complexification introduces additional initial conditions. While their choice is usually performed according to strategies specifically tailored to limited applications, a Gabor frame method has been implemented to indiscriminately initialize a reasonable number of paraxial Gaussian beams. Since this method can be applied for an usefully wide range of ultrasonic transducers, the typical case of the time-harmonic piston radiator is investigated. Compared to the commonly used Multi-Gaussian Beam model [1], a better agreement is obtained throughout the radiated field between the results of numerical integration (or analytical on-axis solution) and the resulting Gaussian beam superposition. Sparsity of the proposed solution is also discussed.

  6. Non-Gaussian noise-weakened stability in a foraging colony system with time delay

    NASA Astrophysics Data System (ADS)

    Dong, Xiaohui; Zeng, Chunhua; Yang, Fengzao; Guan, Lin; Xie, Qingshuang; Duan, Weilong

    2018-02-01

    In this paper, the dynamical properties in a foraging colony system with time delay and non-Gaussian noise were investigated. Using delay Fokker-Planck approach, the stationary probability distribution (SPD), the associated relaxation time (ART) and normalization correlation function (NCF) are obtained, respectively. The results show that: (i) the time delay and non-Gaussian noise can induce transition from a single peak to double peaks in the SPD, i.e., a type of bistability occurring in a foraging colony system where time delay and non-Gaussian noise not only cause transitions between stable states, but also construct the states themselves. Numerical simulations are presented and are in good agreement with the approximate theoretical results; (ii) there exists a maximum in the ART as a function of the noise intensity, this maximum for ART is identified as the characteristic of the non-Gaussian noise-weakened stability of the foraging colonies in the steady state; (iii) the ART as a function of the noise correlation time exhibits a maximum and a minimum, where the minimum for ART is identified as the signature of the non-Gaussian noise-enhanced stability of the foraging colonies; and (iv) the time delay can enhance the stability of the foraging colonies in the steady state, while the departure from Gaussian noise can weaken it, namely, the time delay and departure from Gaussian noise play opposite roles in ART or NCF.

  7. Hollow Gaussian beams and their propagation properties

    NASA Astrophysics Data System (ADS)

    Cai, Yangjian; Lu, Xuanhui; Lin, Qiang

    2003-07-01

    A new mathematical model, described as hollow Gaussian beams (HGBs), is proposed to describe a dark hollow laser beam (DHB). The area of the dark region across the HGBs can easily be controlled by proper choice of the beam parameters. Based on the Collins integral, an analytical propagation formula for the HGBs through a paraxial optical system is derived. The HGBs also can be expressed as a superposition of a series of Lagurerre-Gaussian modes by use of a polynomial expansion. As a numerical example, the propagation properties of a DHB in free space are illustrated graphically. The HGBs provide a convenient and powerful way to describe and treat the propagation of DHBs and can be used conveniently to analyze atoms manipulated with a DHB.

  8. Hollow Gaussian beams and their propagation properties.

    PubMed

    Cai, Yangjian; Lu, Xuanhui; Lin, Qiang

    2003-07-01

    A new mathematical model, described as hollow Gaussian beams (HGBs), is proposed to describe a dark hollow laser beam (DHB). The area of the dark region across the HGBs can easily be controlled by proper choice of the beam parameters. Based on the Collins integral, an analytical propagation formula for the HGBs through a paraxial optical system is derived. The HGBs also can be expressed as a superposition of a series of Lagurerre-Gaussian modes by use of a polynomial expansion. As a numerical example, the propagation properties of a DHB in free space are illustrated graphically. The HGBs provide a convenient and powerful way to describe and treat the propagation of DHBs and can be used conveniently to analyze atoms manipulated with a DHB.

  9. Direct Importance Estimation with Gaussian Mixture Models

    NASA Astrophysics Data System (ADS)

    Yamada, Makoto; Sugiyama, Masashi

    The ratio of two probability densities is called the importance and its estimation has gathered a great deal of attention these days since the importance can be used for various data processing purposes. In this paper, we propose a new importance estimation method using Gaussian mixture models (GMMs). Our method is an extention of the Kullback-Leibler importance estimation procedure (KLIEP), an importance estimation method using linear or kernel models. An advantage of GMMs is that covariance matrices can also be learned through an expectation-maximization procedure, so the proposed method — which we call the Gaussian mixture KLIEP (GM-KLIEP) — is expected to work well when the true importance function has high correlation. Through experiments, we show the validity of the proposed approach.

  10. Anisotropic non-gaussianity from rotational symmetry breaking excited initial states

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

    Ashoorioon, Amjad; Casadio, Roberto; Dipartimento di Fisica e Astronomia, Alma Mater Università di Bologna,via Irnerio 46, 40126 Bologna

    2016-12-01

    If the initial quantum state of the primordial perturbations broke rotational invariance, that would be seen as a statistical anisotropy in the angular correlations of the cosmic microwave background radiation (CMBR) temperature fluctuations. This can be described by a general parameterisation of the initial conditions that takes into account the possible direction-dependence of both the amplitude and the phase of particle creation during inflation. The leading effect in the CMBR two-point function is typically a quadrupole modulation, whose coefficient is analytically constrained here to be |B|≲0.06. The CMBR three-point function then acquires enhanced non-gaussianity, especially for the local configurations. Inmore » the large occupation number limit, a distinctive prediction is a modulation of the non-gaussianity around a mean value depending on the angle that short and long wavelength modes make with the preferred direction. The maximal variations with respect to the mean value occur for the configurations which are coplanar with the preferred direction and the amplitude of the non-gaussianity increases (decreases) for the short wavelength modes aligned with (perpendicular to) the preferred direction. For a high scale model of inflation with maximally pumped up isotropic occupation and ϵ≃0.01 the difference between these two configurations is about 0.27, which could be detectable in the future. For purely anisotropic particle creation, the non-Gaussianity can be larger and its anisotropic feature very sharp. The non-gaussianity can then reach f{sub NL}∼30 in the preferred direction while disappearing from the correlations in the orthogonal plane.« less

  11. Symplectic semiclassical wave packet dynamics II: non-Gaussian states

    NASA Astrophysics Data System (ADS)

    Ohsawa, Tomoki

    2018-05-01

    We generalize our earlier work on the symplectic/Hamiltonian formulation of the dynamics of the Gaussian wave packet to non-Gaussian semiclassical wave packets. We find the symplectic forms and asymptotic expansions of the Hamiltonians associated with these semiclassical wave packets, and obtain Hamiltonian systems governing their dynamics. Numerical experiments demonstrate that the dynamics give a very good approximation to the short-time dynamics of the expectation values computed by a method based on Egorov’s theorem or the initial value representation.

  12. Using harmonic oscillators to determine the spot size of Hermite-Gaussian laser beams

    NASA Technical Reports Server (NTRS)

    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.

  13. Non-Gaussian PDF Modeling of Turbulent Boundary Layer Fluctuating Pressure Excitation

    NASA Technical Reports Server (NTRS)

    Steinwolf, Alexander; Rizzi, Stephen A.

    2003-01-01

    The purpose of the study is to investigate properties of the probability density function (PDF) of turbulent boundary layer fluctuating pressures measured on the exterior of a supersonic transport aircraft. It is shown that fluctuating pressure PDFs differ from the Gaussian distribution even for surface conditions having no significant discontinuities. The PDF tails are wider and longer than those of the Gaussian model. For pressure fluctuations upstream of forward-facing step discontinuities and downstream of aft-facing step discontinuities, deviations from the Gaussian model are more significant and the PDFs become asymmetrical. Various analytical PDF distributions are used and further developed to model this behavior.

  14. Basis adaptation and domain decomposition for steady partial differential equations with random coefficients

    DOE PAGES

    Tipireddy, R.; Stinis, P.; Tartakovsky, A. M.

    2017-09-04

    In this paper, we present a novel approach for solving steady-state stochastic partial differential equations (PDEs) with high-dimensional random parameter space. The proposed approach combines spatial domain decomposition with basis adaptation for each subdomain. The basis adaptation is used to address the curse of dimensionality by constructing an accurate low-dimensional representation of the stochastic PDE solution (probability density function and/or its leading statistical moments) in each subdomain. Restricting the basis adaptation to a specific subdomain affords finding a locally accurate solution. Then, the solutions from all of the subdomains are stitched together to provide a global solution. We support ourmore » construction with numerical experiments for a steady-state diffusion equation with a random spatially dependent coefficient. Lastly, our results show that highly accurate global solutions can be obtained with significantly reduced computational costs.« less

  15. Detection of nonlinear transfer functions by the use of Gaussian statistics

    NASA Technical Reports Server (NTRS)

    Sheppard, J. G.

    1972-01-01

    The possibility of using on-line signal statistics to detect electronic equipment nonlinearities is discussed. The results of an investigation using Gaussian statistics are presented, and a nonlinearity test that uses ratios of the moments of a Gaussian random variable is developed and discussed. An outline for further investigation is presented.

  16. Segmented all-electron Gaussian basis sets of double and triple zeta qualities for Fr, Ra, and Ac

    NASA Astrophysics Data System (ADS)

    Campos, C. T.; de Oliveira, A. Z.; Ferreira, I. B.; Jorge, F. E.; Martins, L. S. C.

    2017-05-01

    Segmented all-electron basis sets of valence double and triple zeta qualities plus polarization functions for the elements Fr, Ra, and Ac are generated using non-relativistic and Douglas-Kroll-Hess (DKH) Hamiltonians. The sets are augmented with diffuse functions with the purpose to describe appropriately the electrons far from the nuclei. At the DKH-B3LYP level, first atomic ionization energies and bond lengths, dissociation energies, and polarizabilities of a sample of diatomics are calculated. Comparison with theoretical and experimental data available in the literature is carried out. It is verified that despite the small sizes of the basis sets, they are yet reliable.

  17. Evaluation of the influence of double and triple Gaussian proton kernel models on accuracy of dose calculations for spot scanning technique.

    PubMed

    Hirayama, Shusuke; Takayanagi, Taisuke; Fujii, Yusuke; Fujimoto, Rintaro; Fujitaka, Shinichiro; Umezawa, Masumi; Nagamine, Yoshihiko; Hosaka, Masahiro; Yasui, Keisuke; Omachi, Chihiro; Toshito, Toshiyuki

    2016-03-01

    The main purpose in this study was to present the results of beam modeling and how the authors systematically investigated the influence of double and triple Gaussian proton kernel models on the accuracy of dose calculations for spot scanning technique. The accuracy of calculations was important for treatment planning software (TPS) because the energy, spot position, and absolute dose had to be determined by TPS for the spot scanning technique. The dose distribution was calculated by convolving in-air fluence with the dose kernel. The dose kernel was the in-water 3D dose distribution of an infinitesimal pencil beam and consisted of an integral depth dose (IDD) and a lateral distribution. Accurate modeling of the low-dose region was important for spot scanning technique because the dose distribution was formed by cumulating hundreds or thousands of delivered beams. The authors employed a double Gaussian function as the in-air fluence model of an individual beam. Double and triple Gaussian kernel models were also prepared for comparison. The parameters of the kernel lateral model were derived by fitting a simulated in-water lateral dose profile induced by an infinitesimal proton beam, whose emittance was zero, at various depths using Monte Carlo (MC) simulation. The fitted parameters were interpolated as a function of depth in water and stored as a separate look-up table. These stored parameters for each energy and depth in water were acquired from the look-up table when incorporating them into the TPS. The modeling process for the in-air fluence and IDD was based on the method proposed in the literature. These were derived using MC simulation and measured data. The authors compared the measured and calculated absolute doses at the center of the spread-out Bragg peak (SOBP) under various volumetric irradiation conditions to systematically investigate the influence of the two types of kernel models on the dose calculations. The authors investigated the difference

  18. Gaussian-reflectivity mirror resonator for a high-power transverse-flow CO2 laser.

    PubMed

    Ling, Dongxiong; Chen, Junruo; Li, Junchang

    2006-05-01

    A Gaussian-reflectivity mirror resonator is proposed to achieve high-quality laser beams. To analyze the laser fields in a Gaussian-reflectivity mirror resonator, the diffraction integral equations of a Gaussian-reflectivity mirror resonator are converted to the finite-sum matrix equations. Consequently, according to the Fox-Li laser self-reproducing principle, we describe the mode fields and their losses in the proposed resonator as eigenvectors and eigenvalues of a transfer matrix. The conclusion can be drawn from the numerical results that, if a Gaussian-reflectivity mirror is adopted for a plano-concave resonator, a fundamental mode can easily be obtained from a transverse-flow CO2 laser and high-quality laser beams can be expected.

  19. Differential detection of Gaussian MSK in a mobile radio environment

    NASA Technical Reports Server (NTRS)

    Simon, M. K.; Wang, C. C.

    1984-01-01

    Minimum shift keying with Gaussian shaped transmit pulses is a strong candidate for a modulation technique that satisfies the stringent out-of-band radiated power requirements of the mobil radio application. Numerous studies and field experiments have been conducted by the Japanese on urban and suburban mobile radio channels with systems employing Gaussian minimum-shift keying (GMSK) transmission and differentially coherent reception. A comprehensive analytical treatment is presented of the performance of such systems emphasizing the important trade-offs among the various system design parameters such as transmit and receiver filter bandwidths and detection threshold level. It is shown that two-bit differential detection of GMSK is capable of offering far superior performance to the more conventional one-bit detection method both in the presence of an additive Gaussian noise background and Rician fading.

  20. Accretion rates of protoplanets 2: Gaussian distribution of planestesimal velocities

    NASA Technical Reports Server (NTRS)

    Greenzweig, Yuval; Lissauer, Jack J.

    1991-01-01

    The growth rate of a protoplanet embedded in a uniform surface density disk of planetesimals having a triaxial Gaussian velocity distribution was calculated. The longitudes of the aspses and nodes of the planetesimals are uniformly distributed, and the protoplanet is on a circular orbit. The accretion rate in the two body approximation is enhanced by a factor of approximately 3, compared to the case where all planetesimals have eccentricity and inclination equal to the root mean square (RMS) values of those variables in the Gaussian distribution disk. Numerical three body integrations show comparable enhancements, except when the RMS initial planetesimal eccentricities are extremely small. This enhancement in accretion rate should be incorporated by all models, analytical or numerical, which assume a single random velocity for all planetesimals, in lieu of a Gaussian distribution.