Zeroth-order design report for the next linear collider. Volume 1

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

Raubenheimer, T.O.

1996-05-01

This Zeroth Order Design Report (ZDR) for the Next Linear Collider (NLC) has been completed as a feasibility study for a TeV-scale linear collider that incorporates a room-temperature accelerator powered by rf microwaves at 11.424 GHz--similar to that presently used in the SLC, but at four times the rf frequency. The purpose of this study is to examine the complete systems of such a collider, to understand how the parts fit together, and to make certain that every required piece has been included. The design presented here is not fully engineered in any sense, but to be assured that themore » NLC can be built, attention has been given to a number of critical components and issues that present special challenges. More engineering and development of a number of mechanical and electrical systems remain to be done, but the conclusion of this study is that indeed the NLC is technically feasible and can be expected to reach the performance levels required to perform research at the TeV energy scale. Volume one covers the following: the introduction; electron source; positron source; NLC damping rings; bunch compressors and prelinac; low-frequency linacs and compressors; main linacs; design and dynamics; and RF systems for main linacs.« less

Zeroth Law, Entropy, Equilibrium, and All That

NASA Astrophysics Data System (ADS)

Canagaratna, Sebastian G.

2008-05-01

The place of the zeroth law in the teaching of thermodynamics is examined in the context of the recent discussion by Gislason and Craig of some problems involving the establishment of thermal equilibrium. The concept of thermal equilibrium is introduced through the zeroth law. The relation between the zeroth law and the second law in the traditional approach to thermodynamics is discussed. It is shown that the traditional approach does not need to appeal to the second law to solve with rigor the type of problems discussed by Gislason and Craig: in problems not involving chemical reaction, the zeroth law and the condition for mechanical equilibrium, complemented by the first law and any necessary equations of state, are sufficient to determine the final state. We have to invoke the second law only if we wish to calculate the change of entropy. Since most students are exposed to a traditional approach to thermodynamics, the examples of Gislason and Craig are re-examined in terms of the traditional formulation. The maximization of the entropy in the final state can be verified in the traditional approach quite directly by the use of the fundamental equations of thermodynamics. This approach uses relatively simple mathematics in as general a setting as possible.

Is the choice of a standard zeroth-order hamiltonian in CASPT2 ansatz optimal in calculations of excitation energies in protonated and unprotonated schiff bases of retinal?

PubMed

Wolański, Łukasz; Grabarek, Dawid; Andruniów, Tadeusz

2018-04-10

To account for systematic error of CASPT2 method empirical modification of the zeroth-order Hamiltonian with Ionization Potential-Electron Affinity (IPEA) shift was introduced. The optimized IPEA value (0.25 a.u.), called standard IPEA (S-IPEA), was recommended but due to its unsatisfactory performance in multiple metallic and organic compounds it has been questioned lately as a general parameter working properly for all molecules under CASPT2 study. As we are interested in Schiff bases of retinal, an important question emerging from this conflict of choice, to use or not to use S-IPEA, is whether the introduction of the modified zeroth-order Hamiltonian into CASPT2 ansatz does really improve their energetics. To achieve this goal, we assessed an impact of the IPEA shift value, in a range of 0-0.35 a.u., on vertical excitation energies to low-lying singlet states of two protonated (RPSBs) and two unprotonated (RSBs) Schiff bases of retinal for which experimental data in gas phase are available. In addition, an effect of geometry, basis set, and active space on computed VEEs is also reported. We find, that for these systems, the choice of S-IPEA significantly overestimates both S 0 →S 1 and S 0 →S 2 energies and the best theoretical estimate, in reference to the experimental data, is provided with either unmodified zeroth-order Hamiltonian or small value of the IPEA shift in a range of 0.05-0.15 a.u., depending on active space and basis set size, equilibrium geometry, and character of the excited state. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Zeroth-order design report for the next linear collider. Volume 2

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

Raubenheimer, T.O.

This Zeroth-Order Design Report (ZDR) for the Next Linear Collider (NLC) has been completed as a feasibility study for a TeV-scale linear collider that incorporates a room-temperature accelerator powered by rf microwaves at 11.424 GHz--similar to that presently used in the SLC, but at four times the rf frequency. The purpose of this study is to examine the complete systems of such a collider, to understand how the parts fit together, and to make certain that every required piece has been included. The ``design`` presented here is not fully engineered in any sense, but to be assured that the NLCmore » can be built, attention has been given to a number of critical components and issues that present special challenges. More engineering and development of a number of mechanical and electrical systems remain to be done, but the conclusion of this study is that indeed the NLC is technically feasible and can be expected to reach the performance levels required to perform research at the TeV energy scale. Volume II covers the following: collimation systems; IP switch and big bend; final focus; the interaction region; multiple bunch issues; control systems; instrumentation; machine protection systems; NLC reliability considerations; NLC conventional facilities. Also included are four appendices on the following topics: An RF power source upgrade to the NLC; a second interaction region for gamma-gamma, gamma-electron; ground motion: theory and measurement; and beam-based feedback: theory and implementation.« less

Morphing Continuum Theory: A First Order Approximation to the Balance Laws

NASA Astrophysics Data System (ADS)

Wonnell, Louis; Cheikh, Mohamad Ibrahim; Chen, James

2017-11-01

Morphing Continuum Theory is constructed under the framework of Rational Continuum Mechanics (RCM) for fluid flows with inner structure. This multiscale theory has been successfully emplyed to model turbulent flows. The framework of RCM ensures the mathematical rigor of MCT, but contains new material constants related to the inner structure. The physical meanings of these material constants have yet to be determined. Here, a linear deviation from the zeroth-order Boltzmann-Curtiss distribution function is derived. When applied to the Boltzmann-Curtiss equation, a first-order approximation of the MCT governing equations is obtained. The integral equations are then related to the appropriate material constants found in the heat flux, Cauchy stress, and moment stress terms in the governing equations. These new material properties associated with the inner structure of the fluid are compared with the corresponding integrals, and a clearer physical interpretation of these coefficients emerges. The physical meanings of these material properties is determined by analyzing previous results obtained from numerical simulations of MCT for compressible and incompressible flows. The implications for the physics underlying the MCT governing equations will also be discussed. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-17-1-0154.

Regularization and Approximation of a Class of Evolution Problems in Applied Mathematics

DTIC Science & Technology

1991-01-01

8217 DT)IG AD-A242 223 FINAL REPORT Nov61991:ti -ll IN IImI 1OV1 Ml99 1 REGULARIZATION AND APPROXIMATION OF A-CLASS OF EVOLUTION -PROBLEMS IN APPLIED...The University of Texas at Austin Austin, TX 78712 91 10 30 050 FINAL REPORT "Regularization and Approximation of a Class of Evolution Problems in...micro-structured parabolic system. A mathematical analysis of the regularized equations-has been developed to support our approach. Supporting

Approximate matching of regular expressions.

PubMed

Myers, E W; Miller, W

1989-01-01

Given a sequence A and regular expression R, the approximate regular expression matching problem is to find a sequence matching R whose optimal alignment with A is the highest scoring of all such sequences. This paper develops an algorithm to solve the problem in time O(MN), where M and N are the lengths of A and R. Thus, the time requirement is asymptotically no worse than for the simpler problem of aligning two fixed sequences. Our method is superior to an earlier algorithm by Wagner and Seiferas in several ways. First, it treats real-valued costs, in addition to integer costs, with no loss of asymptotic efficiency. Second, it requires only O(N) space to deliver just the score of the best alignment. Finally, its structure permits implementation techniques that make it extremely fast in practice. We extend the method to accommodate gap penalties, as required for typical applications in molecular biology, and further refine it to search for sub-strings of A that strongly align with a sequence in R, as required for typical data base searches. We also show how to deliver an optimal alignment between A and R in only O(N + log M) space using O(MN log M) time. Finally, an O(MN(M + N) + N2log N) time algorithm is presented for alignment scoring schemes where the cost of a gap is an arbitrary increasing function of its length.

Real-time approximate optimal guidance laws for the advanced launch system

NASA Technical Reports Server (NTRS)

Speyer, Jason L.; Feeley, Timothy; Hull, David G.

1989-01-01

An approach to optimal ascent guidance for a launch vehicle is developed using an expansion technique. The problem is to maximize the payload put into orbit subject to the equations of motion of a rocket over a rotating spherical earth. It is assumed that the thrust and gravitational forces dominate over the aerodynamic forces. It is shown that these forces can be separated by a small parameter epsilon, where epsilon is the ratio of the atmospheric scale height to the radius of the earth. The Hamilton-Jacobi-Bellman or dynamic programming equation is expanded in a series where the zeroth-order term (epsilon = 0) can be obtained in closed form. The zeroth-order problem is that of putting maximum payload into orbit subject to the equations of motion of a rocket in a vacuum over a flat earth. The neglected inertial and aerodynamic terms are included in higher order terms of the expansion, which are determined from the solution of first-order linear partial differential equations requiring only quadrature integrations. These quadrature integrations can be performed rapidly, so that real-time approximate optimization can be used to construct the launch guidance law.

New second order Mumford-Shah model based on Γ-convergence approximation for image processing

NASA Astrophysics Data System (ADS)

Duan, Jinming; Lu, Wenqi; Pan, Zhenkuan; Bai, Li

2016-05-01

In this paper, a second order variational model named the Mumford-Shah total generalized variation (MSTGV) is proposed for simultaneously image denoising and segmentation, which combines the original Γ-convergence approximated Mumford-Shah model with the second order total generalized variation (TGV). For image denoising, the proposed MSTGV can eliminate both the staircase artefact associated with the first order total variation and the edge blurring effect associated with the quadratic H1 regularization or the second order bounded Hessian regularization. For image segmentation, the MSTGV can obtain clear and continuous boundaries of objects in the image. To improve computational efficiency, the implementation of the MSTGV does not directly solve its high order nonlinear partial differential equations and instead exploits the efficient split Bregman algorithm. The algorithm benefits from the fast Fourier transform, analytical generalized soft thresholding equation, and Gauss-Seidel iteration. Extensive experiments are conducted to demonstrate the effectiveness and efficiency of the proposed model.

Corrections to the thin wall approximation in general relativity

NASA Technical Reports Server (NTRS)

Garfinkle, David; Gregory, Ruth

1989-01-01

The question is considered whether the thin wall formalism of Israel applies to the gravitating domain walls of a lambda phi(exp 4) theory. The coupled Einstein-scalar equations that describe the thick gravitating wall are expanded in powers of the thickness of the wall. The solutions of the zeroth order equations reproduce the results of the usual Israel thin wall approximation for domain walls. The solutions of the first order equations provide corrections to the expressions for the stress-energy of the wall and to the Israel thin wall equations. The modified thin wall equations are then used to treat the motion of spherical and planar domain walls.

The Adler D-function for N = 1 SQCD regularized by higher covariant derivatives in the three-loop approximation

NASA Astrophysics Data System (ADS)

Kataev, A. L.; Kazantsev, A. E.; Stepanyantz, K. V.

2018-01-01

We calculate the Adler D-function for N = 1 SQCD in the three-loop approximation using the higher covariant derivative regularization and the NSVZ-like subtraction scheme. The recently formulated all-order relation between the Adler function and the anomalous dimension of the matter superfields defined in terms of the bare coupling constant is first considered and generalized to the case of an arbitrary representation for the chiral matter superfields. The correctness of this all-order relation is explicitly verified at the three-loop level. The special renormalization scheme in which this all-order relation remains valid for the D-function and the anomalous dimension defined in terms of the renormalized coupling constant is constructed in the case of using the higher derivative regularization. The analytic expression for the Adler function for N = 1 SQCD is found in this scheme to the order O (αs2). The problem of scheme-dependence of the D-function and the NSVZ-like equation is briefly discussed.

Higher-order force moments of active particles

NASA Astrophysics Data System (ADS)

Nasouri, Babak; Elfring, Gwynn J.

2018-04-01

Active particles moving through fluids generate disturbance flows due to their activity. For simplicity, the induced flow field is often modeled by the leading terms in a far-field approximation of the Stokes equations, whose coefficients are the force, torque, and stresslet (zeroth- and first-order force moments) of the active particle. This level of approximation is quite useful, but may also fail to predict more complex behaviors that are observed experimentally. In this study, to provide a better approximation, we evaluate the contribution of the second-order force moments to the flow field and, by reciprocal theorem, present explicit formulas for the stresslet dipole, rotlet dipole, and potential dipole for an arbitrarily shaped active particle. As examples of this method, we derive modified Faxén laws for active spherical particles and resolve higher-order moments for active rod-like particles.

History matching by spline approximation and regularization in single-phase areal reservoirs

NASA Technical Reports Server (NTRS)

Lee, T. Y.; Kravaris, C.; Seinfeld, J.

1986-01-01

An automatic history matching algorithm is developed based on bi-cubic spline approximations of permeability and porosity distributions and on the theory of regularization to estimate permeability or porosity in a single-phase, two-dimensional real reservoir from well pressure data. The regularization feature of the algorithm is used to convert the ill-posed history matching problem into a well-posed problem. The algorithm employs the conjugate gradient method as its core minimization method. A number of numerical experiments are carried out to evaluate the performance of the algorithm. Comparisons with conventional (non-regularized) automatic history matching algorithms indicate the superiority of the new algorithm with respect to the parameter estimates obtained. A quasioptimal regularization parameter is determined without requiring a priori information on the statistical properties of the observations.

Analysis of forward scattering of an acoustical zeroth-order Bessel beam from rigid complicated (aspherical) structures

NASA Astrophysics Data System (ADS)

Li, Wei; Chai, Yingbin; Gong, Zhixiong; Marston, Philip L.

2017-10-01

The forward scattering from rigid spheroids and endcapped cylinders with finite length (even with a large aspect ratio) immersed in a non-viscous fluid under the illumination of an idealized zeroth-order acoustical Bessel beam (ABB) with arbitrary angles of incidence is calculated and analyzed in the implementation of the T-matrix method (TTM). Based on the present method, the incident coefficients of expansion for the incident ABB are derived and simplifying methods are proposed for the numerical accuracy and computational efficiency according to the geometrical symmetries. A home-made MATLAB software package is constructed accordingly, and then verified and validated for the ABB scattering from rigid aspherical obstacles. Several numerical examples are computed for the forward scattering from both rigid spheroids and finite cylinder, with particular emphasis on the aspect ratios, the half-cone angles of ABBs, the incident angles and the dimensionless frequencies. The rectangular patterns of target strength in the (β, θs) domain (where β is the half-cone angle of the ABB and θs is the scattered polar angle) and local/total forward scattering versus dimensionless frequency are exhibited, which could provide new insights into the physical mechanisms of Bessel beam scattering by rigid spheroids and finite cylinders. The ray diagrams in geometrical models for the scattering in the forward half-space and the optical cross-section theorem help to interpret the scattering mechanisms of ABBs. This research work may provide an alternative for the partial wave series solution under certain circumstances interacting with ABBs for complicated obstacles and benefit some related works in optics and electromagnetics.

Higher order total variation regularization for EIT reconstruction.

PubMed

Gong, Bo; Schullcke, Benjamin; Krueger-Ziolek, Sabine; Zhang, Fan; Mueller-Lisse, Ullrich; Moeller, Knut

2018-01-08

Electrical impedance tomography (EIT) attempts to reveal the conductivity distribution of a domain based on the electrical boundary condition. This is an ill-posed inverse problem; its solution is very unstable. Total variation (TV) regularization is one of the techniques commonly employed to stabilize reconstructions. However, it is well known that TV regularization induces staircase effects, which are not realistic in clinical applications. To reduce such artifacts, modified TV regularization terms considering a higher order differential operator were developed in several previous studies. One of them is called total generalized variation (TGV) regularization. TGV regularization has been successively applied in image processing in a regular grid context. In this study, we adapted TGV regularization to the finite element model (FEM) framework for EIT reconstruction. Reconstructions using simulation and clinical data were performed. First results indicate that, in comparison to TV regularization, TGV regularization promotes more realistic images. Graphical abstract Reconstructed conductivity changes located on selected vertical lines. For each of the reconstructed images as well as the ground truth image, conductivity changes located along the selected left and right vertical lines are plotted. In these plots, the notation GT in the legend stands for ground truth, TV stands for total variation method, and TGV stands for total generalized variation method. Reconstructed conductivity distributions from the GREIT algorithm are also demonstrated.

Discriminant analysis for fast multiclass data classification through regularized kernel function approximation.

PubMed

Ghorai, Santanu; Mukherjee, Anirban; Dutta, Pranab K

2010-06-01

In this brief we have proposed the multiclass data classification by computationally inexpensive discriminant analysis through vector-valued regularized kernel function approximation (VVRKFA). VVRKFA being an extension of fast regularized kernel function approximation (FRKFA), provides the vector-valued response at single step. The VVRKFA finds a linear operator and a bias vector by using a reduced kernel that maps a pattern from feature space into the low dimensional label space. The classification of patterns is carried out in this low dimensional label subspace. A test pattern is classified depending on its proximity to class centroids. The effectiveness of the proposed method is experimentally verified and compared with multiclass support vector machine (SVM) on several benchmark data sets as well as on gene microarray data for multi-category cancer classification. The results indicate the significant improvement in both training and testing time compared to that of multiclass SVM with comparable testing accuracy principally in large data sets. Experiments in this brief also serve as comparison of performance of VVRKFA with stratified random sampling and sub-sampling.

Density-functional expansion methods: evaluation of LDA, GGA, and meta-GGA functionals and different integral approximations.

PubMed

Giese, Timothy J; York, Darrin M

2010-12-28

We extend the Kohn-Sham potential energy expansion (VE) to include variations of the kinetic energy density and use the VE formulation with a 6-31G* basis to perform a "Jacob's ladder" comparison of small molecule properties using density functionals classified as being either LDA, GGA, or meta-GGA. We show that the VE reproduces standard Kohn-Sham DFT results well if all integrals are performed without further approximation, and there is no substantial improvement in using meta-GGA functionals relative to GGA functionals. The advantages of using GGA versus LDA functionals becomes apparent when modeling hydrogen bonds. We furthermore examine the effect of using integral approximations to compute the zeroth-order energy and first-order matrix elements, and the results suggest that the origin of the short-range repulsive potential within self-consistent charge density-functional tight-binding methods mainly arises from the approximations made to the first-order matrix elements.

A fractional-order accumulative regularization filter for force reconstruction

NASA Astrophysics Data System (ADS)

Wensong, Jiang; Zhongyu, Wang; Jing, Lv

2018-02-01

The ill-posed inverse problem of the force reconstruction comes from the influence of noise to measured responses and results in an inaccurate or non-unique solution. To overcome this ill-posedness, in this paper, the transfer function of the reconstruction model is redefined by a Fractional order Accumulative Regularization Filter (FARF). First, the measured responses with noise are refined by a fractional-order accumulation filter based on a dynamic data refresh strategy. Second, a transfer function, generated by the filtering results of the measured responses, is manipulated by an iterative Tikhonov regularization with a serious of iterative Landweber filter factors. Third, the regularization parameter is optimized by the Generalized Cross-Validation (GCV) to improve the ill-posedness of the force reconstruction model. A Dynamic Force Measurement System (DFMS) for the force reconstruction is designed to illustrate the application advantages of our suggested FARF method. The experimental result shows that the FARF method with r = 0.1 and α = 20, has a PRE of 0.36% and an RE of 2.45%, is superior to other cases of the FARF method and the traditional regularization methods when it comes to the dynamic force reconstruction.

Regularities and irregularities in order flow data

NASA Astrophysics Data System (ADS)

Theissen, Martin; Krause, Sebastian M.; Guhr, Thomas

2017-11-01

We identify and analyze statistical regularities and irregularities in the recent order flow of different NASDAQ stocks, focusing on the positions where orders are placed in the order book. This includes limit orders being placed outside of the spread, inside the spread and (effective) market orders. Based on the pairwise comparison of the order flow of different stocks, we perform a clustering of stocks into groups with similar behavior. This is useful to assess systemic aspects of stock price dynamics. We find that limit order placement inside the spread is strongly determined by the dynamics of the spread size. Most orders, however, arrive outside of the spread. While for some stocks order placement on or next to the quotes is dominating, deeper price levels are more important for other stocks. As market orders are usually adjusted to the quote volume, the impact of market orders depends on the order book structure, which we find to be quite diverse among the analyzed stocks as a result of the way limit order placement takes place.

Relativistic calculation of nuclear magnetic shielding using normalized elimination of the small component

NASA Astrophysics Data System (ADS)

Kudo, K.; Maeda, H.; Kawakubo, T.; Ootani, Y.; Funaki, M.; Fukui, H.

2006-06-01

The normalized elimination of the small component (NESC) theory, recently proposed by Filatov and Cremer [J. Chem. Phys. 122, 064104 (2005)], is extended to include magnetic interactions and applied to the calculation of the nuclear magnetic shielding in HX (X =F,Cl,Br,I) systems. The NESC calculations are performed at the levels of the zeroth-order regular approximation (ZORA) and the second-order regular approximation (SORA). The calculations show that the NESC-ZORA results are very close to the NESC-SORA results, except for the shielding of the I nucleus. Both the NESC-ZORA and NESC-SORA calculations yield very similar results to the previously reported values obtained using the relativistic infinite-order two-component coupled Hartree-Fock method. The difference between NESC-ZORA and NESC-SORA results is significant for the shieldings of iodine.

Regularization in Short-Term Memory for Serial Order

ERIC Educational Resources Information Center

Botvinick, Matthew; Bylsma, Lauren M.

2005-01-01

Previous research has shown that short-term memory for serial order can be influenced by background knowledge concerning regularities of sequential structure. Specifically, it has been shown that recall is superior for sequences that fit well with familiar sequencing constraints. The authors report a corresponding effect pertaining to serial…

Approximate message passing for nonconvex sparse regularization with stability and asymptotic analysis

NASA Astrophysics Data System (ADS)

Sakata, Ayaka; Xu, Yingying

2018-03-01

We analyse a linear regression problem with nonconvex regularization called smoothly clipped absolute deviation (SCAD) under an overcomplete Gaussian basis for Gaussian random data. We propose an approximate message passing (AMP) algorithm considering nonconvex regularization, namely SCAD-AMP, and analytically show that the stability condition corresponds to the de Almeida-Thouless condition in spin glass literature. Through asymptotic analysis, we show the correspondence between the density evolution of SCAD-AMP and the replica symmetric (RS) solution. Numerical experiments confirm that for a sufficiently large system size, SCAD-AMP achieves the optimal performance predicted by the replica method. Through replica analysis, a phase transition between replica symmetric and replica symmetry breaking (RSB) region is found in the parameter space of SCAD. The appearance of the RS region for a nonconvex penalty is a significant advantage that indicates the region of smooth landscape of the optimization problem. Furthermore, we analytically show that the statistical representation performance of the SCAD penalty is better than that of \

Enskog theory for polydisperse granular mixtures. I. Navier-Stokes order transport.

PubMed

Garzó, Vicente; Dufty, James W; Hrenya, Christine M

2007-09-01

A hydrodynamic description for an s -component mixture of inelastic, smooth hard disks (two dimensions) or spheres (three dimensions) is derived based on the revised Enskog theory for the single-particle velocity distribution functions. In this first part of the two-part series, the macroscopic balance equations for mass, momentum, and energy are derived. Constitutive equations are calculated from exact expressions for the fluxes by a Chapman-Enskog expansion carried out to first order in spatial gradients, thereby resulting in a Navier-Stokes order theory. Within this context of small gradients, the theory is applicable to a wide range of restitution coefficients and densities. The resulting integral-differential equations for the zeroth- and first-order approximations of the distribution functions are given in exact form. An approximate solution to these equations is required for practical purposes in order to cast the constitutive quantities as algebraic functions of the macroscopic variables; this task is described in the companion paper.

APPROXIMATING SYMMETRIC POSITIVE SEMIDEFINITE TENSORS OF EVEN ORDER*

PubMed Central

BARMPOUTIS, ANGELOS; JEFFREY, HO; VEMURI, BABA C.

2012-01-01

Tensors of various orders can be used for modeling physical quantities such as strain and diffusion as well as curvature and other quantities of geometric origin. Depending on the physical properties of the modeled quantity, the estimated tensors are often required to satisfy the positivity constraint, which can be satisfied only with tensors of even order. Although the space P02m of 2mth-order symmetric positive semi-definite tensors is known to be a convex cone, enforcing positivity constraint directly on P02m is usually not straightforward computationally because there is no known analytic description of P02m for m > 1. In this paper, we propose a novel approach for enforcing the positivity constraint on even-order tensors by approximating the cone P02m for the cases 0 < m < 3, and presenting an explicit characterization of the approximation Σ2m ⊂ Ω2m for m ≥ 1, using the subset Ω2m⊂P02m of semi-definite tensors that can be written as a sum of squares of tensors of order m. Furthermore, we show that this approximation leads to a non-negative linear least-squares (NNLS) optimization problem with the complexity that equals the number of generators in Σ2m. Finally, we experimentally validate the proposed approach and we present an application for computing 2mth-order diffusion tensors from Diffusion Weighted Magnetic Resonance Images. PMID:23285313

Stress stiffening and approximate equations in flexible multibody dynamics

NASA Technical Reports Server (NTRS)

Padilla, Carlos E.; Vonflotow, Andreas H.

1993-01-01

A useful model for open chains of flexible bodies undergoing large rigid body motions, but small elastic deformations, is one in which the equations of motion are linearized in the small elastic deformations and deformation rates. For slow rigid body motions, the correctly linearized, or consistent, set of equations can be compared to prematurely linearized, or inconsistent, equations and to 'oversimplified,' or ruthless, equations through the use of open loop dynamic simulations. It has been shown that the inconsistent model should never be used, while the ruthless model should be used whenever possible. The consistent and inconsistent models differ by stress stiffening terms. These are due to zeroth-order stresses effecting virtual work via nonlinear strain-displacement terms. In this paper we examine in detail the nature of these stress stiffening terms and conclude that they are significant only when the associated zeroth-order stresses approach 'buckling' stresses. Finally it is emphasized that when the stress stiffening terms are negligible the ruthlessly linearized equations should be used.

On singlet s-wave electron-hydrogen scattering.

NASA Technical Reports Server (NTRS)

Madan, R. N.

1973-01-01

Discussion of various zeroth-order approximations to s-wave scattering of electrons by hydrogen atoms below the first excitation threshold. The formalism previously developed by the author (1967, 1968) is applied to Feshbach operators to derive integro-differential equations, with the optical-potential set equal to zero, for the singlet and triplet cases. Phase shifts of s-wave scattering are computed in the zeroth-order approximation of the Feshbach operator method and in the static-exchange approximation. It is found that the convergence of numerical computations is faster in the former approximation than in the latter.

25 CFR 11.1210 - Duration and renewal of a regular protection order.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 25 Indians 1 2010-04-01 2010-04-01 false Duration and renewal of a regular protection order. 11.1210 Section 11.1210 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT OF THE INTERIOR LAW AND ORDER COURTS OF INDIAN OFFENSES AND LAW AND ORDER CODE Child Protection and Domestic Violence Procedures § 11.1210...

25 CFR 11.1210 - Duration and renewal of a regular protection order.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 25 Indians 1 2011-04-01 2011-04-01 false Duration and renewal of a regular protection order. 11.1210 Section 11.1210 Indians BUREAU OF INDIAN AFFAIRS, DEPARTMENT OF THE INTERIOR LAW AND ORDER COURTS OF INDIAN OFFENSES AND LAW AND ORDER CODE Child Protection and Domestic Violence Procedures § 11.1210...

High-order regularization in lattice-Boltzmann equations

NASA Astrophysics Data System (ADS)

Mattila, Keijo K.; Philippi, Paulo C.; Hegele, Luiz A.

2017-04-01

A lattice-Boltzmann equation (LBE) is the discrete counterpart of a continuous kinetic model. It can be derived using a Hermite polynomial expansion for the velocity distribution function. Since LBEs are characterized by discrete, finite representations of the microscopic velocity space, the expansion must be truncated and the appropriate order of truncation depends on the hydrodynamic problem under investigation. Here we consider a particular truncation where the non-equilibrium distribution is expanded on a par with the equilibrium distribution, except that the diffusive parts of high-order non-equilibrium moments are filtered, i.e., only the corresponding advective parts are retained after a given rank. The decomposition of moments into diffusive and advective parts is based directly on analytical relations between Hermite polynomial tensors. The resulting, refined regularization procedure leads to recurrence relations where high-order non-equilibrium moments are expressed in terms of low-order ones. The procedure is appealing in the sense that stability can be enhanced without local variation of transport parameters, like viscosity, or without tuning the simulation parameters based on embedded optimization steps. The improved stability properties are here demonstrated using the perturbed double periodic shear layer flow and the Sod shock tube problem as benchmark cases.

Predicting survival in critical patients by use of body temperature regularity measurement based on approximate entropy.

PubMed

Cuesta, D; Varela, M; Miró, P; Galdós, P; Abásolo, D; Hornero, R; Aboy, M

2007-07-01

Body temperature is a classical diagnostic tool for a number of diseases. However, it is usually employed as a plain binary classification function (febrile or not febrile), and therefore its diagnostic power has not been fully developed. In this paper, we describe how body temperature regularity can be used for diagnosis. Our proposed methodology is based on obtaining accurate long-term temperature recordings at high sampling frequencies and analyzing the temperature signal using a regularity metric (approximate entropy). In this study, we assessed our methodology using temperature registers acquired from patients with multiple organ failure admitted to an intensive care unit. Our results indicate there is a correlation between the patient's condition and the regularity of the body temperature. This finding enabled us to design a classifier for two outcomes (survival or death) and test it on a dataset including 36 subjects. The classifier achieved an accuracy of 72%.

25 CFR 11.1206 - Obtaining a regular (non-emergency) order of protection.

Code of Federal Regulations, 2012 CFR

2012-04-01

... COURTS OF INDIAN OFFENSES AND LAW AND ORDER CODE Child Protection and Domestic Violence Procedures § 11... custody of any children involved when appropriate and provide for visitation rights, child support, and... 25 Indians 1 2012-04-01 2011-04-01 true Obtaining a regular (non-emergency) order of protection...

25 CFR 11.1206 - Obtaining a regular (non-emergency) order of protection.

Code of Federal Regulations, 2014 CFR

2014-04-01

... COURTS OF INDIAN OFFENSES AND LAW AND ORDER CODE Child Protection and Domestic Violence Procedures § 11... custody of any children involved when appropriate and provide for visitation rights, child support, and... 25 Indians 1 2014-04-01 2014-04-01 false Obtaining a regular (non-emergency) order of protection...

25 CFR 11.1206 - Obtaining a regular (non-emergency) order of protection.

Code of Federal Regulations, 2013 CFR

2013-04-01

... COURTS OF INDIAN OFFENSES AND LAW AND ORDER CODE Child Protection and Domestic Violence Procedures § 11... custody of any children involved when appropriate and provide for visitation rights, child support, and... 25 Indians 1 2013-04-01 2013-04-01 false Obtaining a regular (non-emergency) order of protection...

Semilocal momentum-space regularized chiral two-nucleon potentials up to fifth order

NASA Astrophysics Data System (ADS)

Reinert, P.; Krebs, H.; Epelbaum, E.

2018-05-01

We introduce new semilocal two-nucleon potentials up to fifth order in the chiral expansion. We employ a simple regularization approach for the pion exchange contributions which i) maintains the long-range part of the interaction, ii) is implemented in momentum space and iii) can be straightforwardly applied to regularize many-body forces and current operators. We discuss in detail the two-nucleon contact interactions at fourth order and demonstrate that three terms out of fifteen used in previous calculations can be eliminated via suitably chosen unitary transformations. The removal of the redundant contact terms results in a drastic simplification of the fits to scattering data and leads to interactions which are much softer ( i.e., more perturbative) than our recent semilocal coordinate-space regularized potentials. Using the pion-nucleon low-energy constants from matching pion-nucleon Roy-Steiner equations to chiral perturbation theory, we perform a comprehensive analysis of nucleon-nucleon scattering and the deuteron properties up to fifth chiral order and study the impact of the leading F-wave two-nucleon contact interactions which appear at sixth order. The resulting chiral potentials at fifth order lead to an outstanding description of the proton-proton and neutron-proton scattering data from the self-consistent Granada-2013 database below the pion production threshold, which is significantly better than for any other chiral potential. For the first time, the chiral potentials match in precision and even outperform the available high-precision phenomenological potentials, while the number of adjustable parameters is, at the same time, reduced by about ˜ 40%. Last but not least, we perform a detailed error analysis and, in particular, quantify for the first time the statistical uncertainties of the fourth- and the considered sixth-order contact interactions.

Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions

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

Azar, Richard Julian, E-mail: julianazar2323@berkeley.edu; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu

2015-05-28

Your correspondents develop and apply fully nonorthogonal, local-reference perturbation theories describing non-covalent interactions. Our formulations are based on a Löwdin partitioning of the similarity-transformed Hamiltonian into a zeroth-order intramonomer piece (taking local CCSD solutions as its zeroth-order eigenfunction) plus a first-order piece coupling the fragments. If considerations are limited to a single molecule, the proposed intermolecular similarity-transformed perturbation theory represents a frozen-orbital variant of the “(2)”-type theories shown to be competitive with CCSD(T) and of similar cost if all terms are retained. Different restrictions on the zeroth- and first-order amplitudes are explored in the context of large-computation tractability and elucidationmore » of non-local effects in the space of singles and doubles. To accurately approximate CCSD intermolecular interaction energies, a quadratically growing number of variables must be included at zeroth-order.« less

Antiferromagnetic order and the structural order-disorder transition in the Cd6Ho quasicrystal approximant

NASA Astrophysics Data System (ADS)

Kreyssig, Andreas; Beutier, Guillaume; Hiroto, Takanobu; Kim, Min Gyu; Tucker, Gregory S.; de Boissieu, Marc; Tamura, Ryuji; Goldman, Alan I.

2013-09-01

It has generally been accepted that the orientational ordering of the Cd4 tetrahedron within the Cd6 R quasicrystal approximants is kinetically inhibited for R = Ho, Er, Tm and Lu by steric constraints. Our high-resolution X-ray scattering measurements of the Cd6Ho quasicrystal approximant, however, reveal an abrupt (first-order) transition to a monoclinic structure below T S = 178 K for samples that have 'aged' at room temperature for approximately one year, reopening this question. Using X-ray resonant magnetic scattering at the Ho L 3-edge we have elucidated the nature of the antiferromagnetic ordering below T N = 8.5 K in Cd6Ho. The magnetic Bragg peaks are found at the charge forbidden H + K + L = 2n + 1 positions, referenced to the high-temperature body-centred cubic structure. In general terms, this corresponds to antiferromagnetic arrangements of the Ho moments on adjacent clusters in the unit cell as previously found for Cd6Tb.

Recursive regularization step for high-order lattice Boltzmann methods

NASA Astrophysics Data System (ADS)

Coreixas, Christophe; Wissocq, Gauthier; Puigt, Guillaume; Boussuge, Jean-François; Sagaut, Pierre

2017-09-01

A lattice Boltzmann method (LBM) with enhanced stability and accuracy is presented for various Hermite tensor-based lattice structures. The collision operator relies on a regularization step, which is here improved through a recursive computation of nonequilibrium Hermite polynomial coefficients. In addition to the reduced computational cost of this procedure with respect to the standard one, the recursive step allows to considerably enhance the stability and accuracy of the numerical scheme by properly filtering out second- (and higher-) order nonhydrodynamic contributions in under-resolved conditions. This is first shown in the isothermal case where the simulation of the doubly periodic shear layer is performed with a Reynolds number ranging from 104 to 106, and where a thorough analysis of the case at Re=3 ×104 is conducted. In the latter, results obtained using both regularization steps are compared against the Bhatnagar-Gross-Krook LBM for standard (D2Q9) and high-order (D2V17 and D2V37) lattice structures, confirming the tremendous increase of stability range of the proposed approach. Further comparisons on thermal and fully compressible flows, using the general extension of this procedure, are then conducted through the numerical simulation of Sod shock tubes with the D2V37 lattice. They confirm the stability increase induced by the recursive approach as compared with the standard one.

The method of A-harmonic approximation and optimal interior partial regularity for nonlinear elliptic systems under the controllable growth condition

NASA Astrophysics Data System (ADS)

Chen, Shuhong; Tan, Zhong

2007-11-01

In this paper, we consider the nonlinear elliptic systems under controllable growth condition. We use a new method introduced by Duzaar and Grotowski, for proving partial regularity for weak solutions, based on a generalization of the technique of harmonic approximation. We extend previous partial regularity results under the natural growth condition to the case of the controllable growth condition, and directly establishing the optimal Hölder exponent for the derivative of a weak solution.

Revised Thomas-Fermi approximation for singular potentials

NASA Astrophysics Data System (ADS)

Dufty, James W.; Trickey, S. B.

2016-08-01

Approximations for the many-fermion free-energy density functional that include the Thomas-Fermi (TF) form for the noninteracting part lead to singular densities for singular external potentials (e.g., attractive Coulomb). This limitation of the TF approximation is addressed here by a formal map of the exact Euler equation for the density onto an equivalent TF form characterized by a modified Kohn-Sham potential. It is shown to be a "regularized" version of the Kohn-Sham potential, tempered by convolution with a finite-temperature response function. The resulting density is nonsingular, with the equilibrium properties obtained from the total free-energy functional evaluated at this density. This new representation is formally exact. Approximate expressions for the regularized potential are given to leading order in a nonlocality parameter, and the limiting behavior at high and low temperatures is described. The noninteracting part of the free energy in this approximation is the usual Thomas-Fermi functional. These results generalize and extend to finite temperatures the ground-state regularization by R. G. Parr and S. Ghosh [Proc. Natl. Acad. Sci. U.S.A. 83, 3577 (1986), 10.1073/pnas.83.11.3577] and by L. R. Pratt, G. G. Hoffman, and R. A. Harris [J. Chem. Phys. 88, 1818 (1988), 10.1063/1.454105] and formally systematize the finite-temperature regularization given by the latter authors.

Finite-dimensional approximation for optimal fixed-order compensation of distributed parameter systems

NASA Technical Reports Server (NTRS)

Bernstein, Dennis S.; Rosen, I. G.

1988-01-01

In controlling distributed parameter systems it is often desirable to obtain low-order, finite-dimensional controllers in order to minimize real-time computational requirements. Standard approaches to this problem employ model/controller reduction techniques in conjunction with LQG theory. In this paper we consider the finite-dimensional approximation of the infinite-dimensional Bernstein/Hyland optimal projection theory. This approach yields fixed-finite-order controllers which are optimal with respect to high-order, approximating, finite-dimensional plant models. The technique is illustrated by computing a sequence of first-order controllers for one-dimensional, single-input/single-output, parabolic (heat/diffusion) and hereditary systems using spline-based, Ritz-Galerkin, finite element approximation. Numerical studies indicate convergence of the feedback gains with less than 2 percent performance degradation over full-order LQG controllers for the parabolic system and 10 percent degradation for the hereditary system.

First and second order approximations to stage numbers in multicomponent enrichment cascades

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

Scopatz, A.

2013-07-01

This paper describes closed form, Taylor series approximations to the number product stages in a multicomponent enrichment cascade. Such closed form approximations are required when a symbolic, rather than a numeric, algorithm is used to compute the optimal cascade state. Both first and second order approximations were implemented. The first order solution was found to be grossly incorrect, having the wrong functional form over the entire domain. On the other hand, the second order solution shows excellent agreement with the 'true' solution over the domain of interest. An implementation of the symbolic, second order solver is available in the freemore » and open source PyNE library. (authors)« less

Relativistic (SR-ZORA) quantum theory of atoms in molecules properties.

PubMed

Anderson, James S M; Rodríguez, Juan I; Ayers, Paul W; Götz, Andreas W

2017-01-15

The Quantum Theory of Atoms in Molecules (QTAIM) is used to elucidate the effects of relativity on chemical systems. To do this, molecules are studied using density-functional theory at both the nonrelativistic level and using the scalar relativistic zeroth-order regular approximation. Relativistic effects on the QTAIM properties and topology of the electron density can be significant for chemical systems with heavy atoms. It is important, therefore, to use the appropriate relativistic treatment of QTAIM (Anderson and Ayers, J. Phys. Chem. 2009, 115, 13001) when treating systems with heavy atoms. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Zeroth-order phase-contrast technique.

PubMed

Pizolato, José Carlos; Cirino, Giuseppe Antonio; Gonçalves, Cristhiane; Neto, Luiz Gonçalves

2007-11-01

What we believe to be a new phase-contrast technique is proposed to recover intensity distributions from phase distributions modulated by spatial light modulators (SLMs) and binary diffractive optical elements (DOEs). The phase distribution is directly transformed into intensity distributions using a 4f optical correlator and an iris centered in the frequency plane as a spatial filter. No phase-changing plates or phase dielectric dots are used as a filter. This method allows the use of twisted nematic liquid-crystal televisions (LCTVs) operating in the real-time phase-mostly regime mode between 0 and p to generate high-intensity multiple beams for optical trap applications. It is also possible to use these LCTVs as input SLMs for optical correlators to obtain high-intensity Fourier transform distributions of input amplitude objects.

A real-time approximate optimal guidance law for flight in a plane

NASA Technical Reports Server (NTRS)

Feeley, Timothy S.; Speyer, Jason L.

1990-01-01

A real-time guidance scheme is presented for the problem of maximizing the payload into orbit subject to the equations of motion of a rocket over a nonrotating spherical earth. The flight is constrained to a path in the equatorial plane while reaching an orbital altitude at orbital injection speeds. The dynamics of the problem can be separated into primary and perturbation effects by a small parameter, epsilon, which is the ratio of the atmospheric scale height to the radius of the earth. The Hamilton-Jacobi-Bellman or dynamic programming equation is expanded in an asymptotic series where the zeroth-order term (epsilon = 0) can be obtained in closed form. The neglected perturbation terms are included in the higher-order terms of the expansion, which are determined from the solution of first-order linear partial differential equations requiring only integrations which are quadratures. The quadratures can be performed rapidly with emerging computer capability, so that real-time approximate optimization can be used to construct the launch guidance law. The application of this technique to flight in three-dimensions is made apparent from the solution presented.

Second-order small disturbance theory for hypersonic flow over power-law bodies. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Townsend, J. C.

1974-01-01

A mathematical method for determining the flow field about power-law bodies in hypersonic flow conditions is developed. The second-order solutions, which reflect the effects of the second-order terms in the equations, are obtained by applying the method of small perturbations in terms of body slenderness parameter to the zeroth-order solutions. The method is applied by writing each flow variable as the sum of a zeroth-order and a perturbation function, each multiplied by the axial variable raised to a power. The similarity solutions are developed for infinite Mach number. All results obtained are for no flow through the body surface (as a boundary condition), but the derivation indicates that small amounts of blowing or suction through the wall can be accommodated.

RES: Regularized Stochastic BFGS Algorithm

NASA Astrophysics Data System (ADS)

Mokhtari, Aryan; Ribeiro, Alejandro

2014-12-01

RES, a regularized stochastic version of the Broyden-Fletcher-Goldfarb-Shanno (BFGS) quasi-Newton method is proposed to solve convex optimization problems with stochastic objectives. The use of stochastic gradient descent algorithms is widespread, but the number of iterations required to approximate optimal arguments can be prohibitive in high dimensional problems. Application of second order methods, on the other hand, is impracticable because computation of objective function Hessian inverses incurs excessive computational cost. BFGS modifies gradient descent by introducing a Hessian approximation matrix computed from finite gradient differences. RES utilizes stochastic gradients in lieu of deterministic gradients for both, the determination of descent directions and the approximation of the objective function's curvature. Since stochastic gradients can be computed at manageable computational cost RES is realizable and retains the convergence rate advantages of its deterministic counterparts. Convergence results show that lower and upper bounds on the Hessian egeinvalues of the sample functions are sufficient to guarantee convergence to optimal arguments. Numerical experiments showcase reductions in convergence time relative to stochastic gradient descent algorithms and non-regularized stochastic versions of BFGS. An application of RES to the implementation of support vector machines is developed.

Noisy image magnification with total variation regularization and order-changed dictionary learning

NASA Astrophysics Data System (ADS)

Xu, Jian; Chang, Zhiguo; Fan, Jiulun; Zhao, Xiaoqiang; Wu, Xiaomin; Wang, Yanzi

2015-12-01

Noisy low resolution (LR) images are always obtained in real applications, but many existing image magnification algorithms can not get good result from a noisy LR image. We propose a two-step image magnification algorithm to solve this problem. The proposed algorithm takes the advantages of both regularization-based method and learning-based method. The first step is based on total variation (TV) regularization and the second step is based on sparse representation. In the first step, we add a constraint on the TV regularization model to magnify the LR image and at the same time to suppress the noise in it. In the second step, we propose an order-changed dictionary training algorithm to train the dictionaries which is dominated by texture details. Experimental results demonstrate that the proposed algorithm performs better than many other algorithms when the noise is not serious. The proposed algorithm can also provide better visual quality on natural LR images.

Tunable rejection filters with ultra-wideband using zeroth shear mode plate wave resonators

NASA Astrophysics Data System (ADS)

Kadota, Michio; Sannomiya, Toshio; Tanaka, Shuji

2017-07-01

This paper reports wide band rejection filters and tunable rejection filters using ultra-wideband zeroth shear mode (SH0) plate wave resonators. The frequency range covers the digital TV band in Japan that runs from 470 to 710 MHz. This range has been chosen to meet the TV white space cognitive radio requirements of rejection filters. Wide rejection bands were obtained using several resonators with different frequencies. Tunable rejection filters were demonstrated using Si diodes connected to the band rejection filters. Wide tunable ranges as high as 31% were measured by applying a DC voltage to the Si diodes.

Chemical association in simple models of molecular and ionic fluids. III. The cavity function

NASA Astrophysics Data System (ADS)

Zhou, Yaoqi; Stell, George

1992-01-01

Exact equations which relate the cavity function to excess solvation free energies and equilibrium association constants are rederived by using a thermodynamic cycle. A zeroth-order approximation, derived previously by us as a simple interpolation scheme, is found to be very accurate if the associative bonding occurs on or near the surface of the repulsive core of the interaction potential. If the bonding radius is substantially less than the core radius, the approximation overestimates the association degree and the association constant. For binary association, the zeroth-order approximation is equivalent to the first-order thermodynamic perturbation theory (TPT) of Wertheim. For n-particle association, the combination of the zeroth-order approximation with a ``linear'' approximation (for n-particle distribution functions in terms of the two-particle function) yields the first-order TPT result. Using our exact equations to go beyond TPT, near-exact analytic results for binary hard-sphere association are obtained. Solvent effects on binary hard-sphere association and ionic association are also investigated. A new rule which generalizes Le Chatelier's principle is used to describe the three distinct forms of behaviors involving solvent effects that we find. The replacement of the dielectric-continuum solvent model by a dipolar hard-sphere model leads to improved agreement with an experimental observation. Finally, equation of state for an n-particle flexible linear-chain fluid is derived on the basis of a one-parameter approximation that interpolates between the generalized Kirkwood superposition approximation and the linear approximation. A value of the parameter that appears to be near optimal in the context of this application is obtained from comparison with computer-simulation data.

Estimates of the Modeling Error of the α -Models of Turbulence in Two and Three Space Dimensions

NASA Astrophysics Data System (ADS)

Dunca, Argus A.

2017-12-01

This report investigates the convergence rate of the weak solutions w^{α } of the Leray-α , modified Leray-α , Navier-Stokes-α and the zeroth ADM turbulence models to a weak solution u of the Navier-Stokes equations. It is assumed that this weak solution u of the NSE belongs to the space L^4(0, T; H^1) . It is shown that under this regularity condition the error u-w^{α } is O(α ) in the norms L^2(0, T; H^1) and L^{∞}(0, T; L^2) , thus improving related known results. It is also shown that the averaged error \\overline{u}-\\overline{w^{α }} is higher order, O(α ^{1.5}) , in the same norms, therefore the α -regularizations considered herein approximate better filtered flow structures than the exact (unfiltered) flow velocities.

Approximate isotropic cloak for the Maxwell equations

NASA Astrophysics Data System (ADS)

Ghosh, Tuhin; Tarikere, Ashwin

2018-05-01

We construct a regular isotropic approximate cloak for the Maxwell system of equations. The method of transformation optics has enabled the design of electromagnetic parameters that cloak a region from external observation. However, these constructions are singular and anisotropic, making practical implementation difficult. Thus, regular approximations to these cloaks have been constructed that cloak a given region to any desired degree of accuracy. In this paper, we show how to construct isotropic approximations to these regularized cloaks using homogenization techniques so that one obtains cloaking of arbitrary accuracy with regular and isotropic parameters.

Analysis of the iteratively regularized Gauss-Newton method under a heuristic rule

NASA Astrophysics Data System (ADS)

Jin, Qinian; Wang, Wei

2018-03-01

The iteratively regularized Gauss-Newton method is one of the most prominent regularization methods for solving nonlinear ill-posed inverse problems when the data is corrupted by noise. In order to produce a useful approximate solution, this iterative method should be terminated properly. The existing a priori and a posteriori stopping rules require accurate information on the noise level, which may not be available or reliable in practical applications. In this paper we propose a heuristic selection rule for this regularization method, which requires no information on the noise level. By imposing certain conditions on the noise, we derive a posteriori error estimates on the approximate solutions under various source conditions. Furthermore, we establish a convergence result without using any source condition. Numerical results are presented to illustrate the performance of our heuristic selection rule.

Analytic derivation of an approximate SU(3) symmetry inside the symmetry triangle of the interacting boson approximation model

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

Bonatsos, Dennis; Karampagia, S.; Casten, R. F.

2011-05-15

Using a contraction of the SU(3) algebra to the algebra of the rigid rotator in the large-boson-number limit of the interacting boson approximation (IBA) model, a line is found inside the symmetry triangle of the IBA, along which the SU(3) symmetry is preserved. The line extends from the SU(3) vertex to near the critical line of the first-order shape/phase transition separating the spherical and prolate deformed phases, and it lies within the Alhassid-Whelan arc of regularity, the unique valley of regularity connecting the SU(3) and U(5) vertices in the midst of chaotic regions. In addition to providing an explanation formore » the existence of the arc of regularity, the present line represents an example of an analytically determined approximate symmetry in the interior of the symmetry triangle of the IBA. The method is applicable to algebraic models possessing subalgebras amenable to contraction. This condition is equivalent to algebras in which the equilibrium ground state and its rotational band become energetically isolated from intrinsic excitations, as typified by deformed solutions to the IBA for large numbers of valence nucleons.« less

Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.

PubMed

Chen, Zhenhua; Hoffmann, Mark R

2012-07-07

A unitary wave operator, exp (G), G(+) = -G, is considered to transform a multiconfigurational reference wave function Φ to the potentially exact, within basis set limit, wave function Ψ = exp (G)Φ. To obtain a useful approximation, the Hausdorff expansion of the similarity transformed effective Hamiltonian, exp (-G)Hexp (G), is truncated at second order and the excitation manifold is limited; an additional separate perturbation approximation can also be made. In the perturbation approximation, which we refer to as multireference unitary second-order perturbation theory (MRUPT2), the Hamiltonian operator in the highest order commutator is approximated by a Mo̸ller-Plesset-type one-body zero-order Hamiltonian. If a complete active space self-consistent field wave function is used as reference, then the energy is invariant under orbital rotations within the inactive, active, and virtual orbital subspaces for both the second-order unitary coupled cluster method and its perturbative approximation. Furthermore, the redundancies of the excitation operators are addressed in a novel way, which is potentially more efficient compared to the usual full diagonalization of the metric of the excited configurations. Despite the loss of rigorous size-extensivity possibly due to the use of a variational approach rather than a projective one in the solution of the amplitudes, test calculations show that the size-extensivity errors are very small. Compared to other internally contracted multireference perturbation theories, MRUPT2 only needs reduced density matrices up to three-body even with a non-complete active space reference wave function when two-body excitations within the active orbital subspace are involved in the wave operator, exp (G). Both the coupled cluster and perturbation theory variants are amenable to large, incomplete model spaces. Applications to some widely studied model systems that can be problematic because of geometry dependent quasidegeneracy, H4, P4

Quantum theory of atoms in molecules: results for the SR-ZORA Hamiltonian.

PubMed

Anderson, James S M; Ayers, Paul W

2011-11-17

The quantum theory of atoms in molecules (QTAIM) is generalized to include relativistic effects using the popular scalar-relativistic zeroth-order regular approximation (SR-ZORA). It is usually assumed that the definition of the atom as a volume bounded by a zero-flux surface of the electron density is closely linked to the form of the kinetic energy, so it is somewhat surprising that the atoms corresponding to the relativistic kinetic-energy operator in the SR-ZORA Hamiltonian are also bounded by zero-flux surfaces. The SR-ZORA Hamiltonian should be sufficient for qualitative descriptions of molecular electronic structure across the periodic table, which suggests that QTAIM-based analysis can be useful for molecules and solids containing heavy atoms.

Optimal guidance law development for an advanced launch system

NASA Technical Reports Server (NTRS)

Calise, Anthony J.; Hodges, Dewey H.; Leung, Martin S.; Bless, Robert R.

1991-01-01

The proposed investigation on a Matched Asymptotic Expansion (MAE) method was carried out. It was concluded that the method of MAE is not applicable to launch vehicle ascent trajectory optimization due to a lack of a suitable stretched variable. More work was done on the earlier regular perturbation approach using a piecewise analytic zeroth order solution to generate a more accurate approximation. In the meantime, a singular perturbation approach using manifold theory is also under current investigation. Work on a general computational environment based on the use of MACSYMA and the weak Hamiltonian finite element method continued during this period. This methodology is capable of the solution of a large class of optimal control problems.

A spatially adaptive total variation regularization method for electrical resistance tomography

NASA Astrophysics Data System (ADS)

Song, Xizi; Xu, Yanbin; Dong, Feng

2015-12-01

The total variation (TV) regularization method has been used to solve the ill-posed inverse problem of electrical resistance tomography (ERT), owing to its good ability to preserve edges. However, the quality of the reconstructed images, especially in the flat region, is often degraded by noise. To optimize the regularization term and the regularization factor according to the spatial feature and to improve the resolution of reconstructed images, a spatially adaptive total variation (SATV) regularization method is proposed. A kind of effective spatial feature indicator named difference curvature is used to identify which region is a flat or edge region. According to different spatial features, the SATV regularization method can automatically adjust both the regularization term and regularization factor. At edge regions, the regularization term is approximate to the TV functional to preserve the edges; in flat regions, it is approximate to the first-order Tikhonov (FOT) functional to make the solution stable. Meanwhile, the adaptive regularization factor determined by the spatial feature is used to constrain the regularization strength of the SATV regularization method for different regions. Besides, a numerical scheme is adopted for the implementation of the second derivatives of difference curvature to improve the numerical stability. Several reconstruction image metrics are used to quantitatively evaluate the performance of the reconstructed results. Both simulation and experimental results indicate that, compared with the TV (mean relative error 0.288, mean correlation coefficient 0.627) and FOT (mean relative error 0.295, mean correlation coefficient 0.638) regularization methods, the proposed SATV (mean relative error 0.259, mean correlation coefficient 0.738) regularization method can endure a relatively high level of noise and improve the resolution of reconstructed images.

Reducing errors in the GRACE gravity solutions using regularization

NASA Astrophysics Data System (ADS)

Save, Himanshu; Bettadpur, Srinivas; Tapley, Byron D.

2012-09-01

The nature of the gravity field inverse problem amplifies the noise in the GRACE data, which creeps into the mid and high degree and order harmonic coefficients of the Earth's monthly gravity fields provided by GRACE. Due to the use of imperfect background models and data noise, these errors are manifested as north-south striping in the monthly global maps of equivalent water heights. In order to reduce these errors, this study investigates the use of the L-curve method with Tikhonov regularization. L-curve is a popular aid for determining a suitable value of the regularization parameter when solving linear discrete ill-posed problems using Tikhonov regularization. However, the computational effort required to determine the L-curve is prohibitively high for a large-scale problem like GRACE. This study implements a parameter-choice method, using Lanczos bidiagonalization which is a computationally inexpensive approximation to L-curve. Lanczos bidiagonalization is implemented with orthogonal transformation in a parallel computing environment and projects a large estimation problem on a problem of the size of about 2 orders of magnitude smaller for computing the regularization parameter. Errors in the GRACE solution time series have certain characteristics that vary depending on the ground track coverage of the solutions. These errors increase with increasing degree and order. In addition, certain resonant and near-resonant harmonic coefficients have higher errors as compared with the other coefficients. Using the knowledge of these characteristics, this study designs a regularization matrix that provides a constraint on the geopotential coefficients as a function of its degree and order. This regularization matrix is then used to compute the appropriate regularization parameter for each monthly solution. A 7-year time-series of the candidate regularized solutions (Mar 2003-Feb 2010) show markedly reduced error stripes compared with the unconstrained GRACE release 4

First-order approximation error analysis of Risley-prism-based beam directing system.

PubMed

Zhao, Yanyan; Yuan, Yan

2014-12-01

To improve the performance of a Risley-prism system for optical detection and measuring applications, it is necessary to be able to determine the direction of the outgoing beam with high accuracy. In previous works, error sources and their impact on the performance of the Risley-prism system have been analyzed, but their numerical approximation accuracy was not high. Besides, pointing error analysis of the Risley-prism system has provided results for the case when the component errors, prism orientation errors, and assembly errors are certain. In this work, the prototype of a Risley-prism system was designed. The first-order approximations of the error analysis were derived and compared with the exact results. The directing errors of a Risley-prism system associated with wedge-angle errors, prism mounting errors, and bearing assembly errors were analyzed based on the exact formula and the first-order approximation. The comparisons indicated that our first-order approximation is accurate. In addition, the combined errors produced by the wedge-angle errors and mounting errors of the two prisms together were derived and in both cases were proved to be the sum of errors caused by the first and the second prism separately. Based on these results, the system error of our prototype was estimated. The derived formulas can be implemented to evaluate beam directing errors of any Risley-prism beam directing system with a similar configuration.

An approximation technique for predicting the transient response of a second order nonlinear equation

NASA Technical Reports Server (NTRS)

Laurenson, R. M.; Baumgarten, J. R.

1975-01-01

An approximation technique has been developed for determining the transient response of a nonlinear dynamic system. The nonlinearities in the system which has been considered appear in the system's dissipation function. This function was expressed as a second order polynomial in the system's velocity. The developed approximation is an extension of the classic Kryloff-Bogoliuboff technique. Two examples of the developed approximation are presented for comparative purposes with other approximation methods.

Breakdown of the single-exchange approximation in third-order symmetry-adapted perturbation theory.

PubMed

Lao, Ka Un; Herbert, John M

2012-03-22

We report third-order symmetry-adapted perturbation theory (SAPT) calculations for several dimers whose intermolecular interactions are dominated by induction. We demonstrate that the single-exchange approximation (SEA) employed to derive the third-order exchange-induction correction (E(exch-ind)((30))) fails to quench the attractive nature of the third-order induction (E(ind)((30))), leading to one-dimensional potential curves that become attractive rather than repulsive at short intermolecular separations. A scaling equation for (E(exch-ind)((30))), based on an exact formula for the first-order exchange correction, is introduced to approximate exchange effects beyond the SEA, and qualitatively correct potential energy curves that include third-order induction are thereby obtained. For induction-dominated systems, our results indicate that a "hybrid" SAPT approach, in which a dimer Hartree-Fock calculation is performed in order to obtain a correction for higher-order induction, is necessary not only to obtain quantitative binding energies but also to obtain qualitatively correct potential energy surfaces. These results underscore the need to develop higher-order exchange-induction formulas that go beyond the SEA. © 2012 American Chemical Society

Fast and Analytical EAP Approximation from a 4th-Order Tensor.

PubMed

Ghosh, Aurobrata; Deriche, Rachid

2012-01-01

Generalized diffusion tensor imaging (GDTI) was developed to model complex apparent diffusivity coefficient (ADC) using higher-order tensors (HOTs) and to overcome the inherent single-peak shortcoming of DTI. However, the geometry of a complex ADC profile does not correspond to the underlying structure of fibers. This tissue geometry can be inferred from the shape of the ensemble average propagator (EAP). Though interesting methods for estimating a positive ADC using 4th-order diffusion tensors were developed, GDTI in general was overtaken by other approaches, for example, the orientation distribution function (ODF), since it is considerably difficult to recuperate the EAP from a HOT model of the ADC in GDTI. In this paper, we present a novel closed-form approximation of the EAP using Hermite polynomials from a modified HOT model of the original GDTI-ADC. Since the solution is analytical, it is fast, differentiable, and the approximation converges well to the true EAP. This method also makes the effort of computing a positive ADC worthwhile, since now both the ADC and the EAP can be used and have closed forms. We demonstrate our approach with 4th-order tensors on synthetic data and in vivo human data.

Relaxation approximations to second-order traffic flow models by high-resolution schemes

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

Nikolos, I.K.; Delis, A.I.; Papageorgiou, M.

2015-03-10

A relaxation-type approximation of second-order non-equilibrium traffic models, written in conservation or balance law form, is considered. Using the relaxation approximation, the nonlinear equations are transformed to a semi-linear diagonilizable problem with linear characteristic variables and stiff source terms with the attractive feature that neither Riemann solvers nor characteristic decompositions are in need. In particular, it is only necessary to provide the flux and source term functions and an estimate of the characteristic speeds. To discretize the resulting relaxation system, high-resolution reconstructions in space are considered. Emphasis is given on a fifth-order WENO scheme and its performance. The computations reportedmore » demonstrate the simplicity and versatility of relaxation schemes as numerical solvers.« less

Incompressible flow simulations on regularized moving meshfree grids

NASA Astrophysics Data System (ADS)

Vasyliv, Yaroslav; Alexeev, Alexander

2017-11-01

A moving grid meshfree solver for incompressible flows is presented. To solve for the flow field, a semi-implicit approximate projection method is directly discretized on meshfree grids using General Finite Differences (GFD) with sharp interface stencil modifications. To maintain a regular grid, an explicit shift is used to relax compressed pseudosprings connecting a star node to its cloud of neighbors. The following test cases are used for validation: the Taylor-Green vortex decay, the analytic and modified lid-driven cavities, and an oscillating cylinder enclosed in a container for a range of Reynolds number values. We demonstrate that 1) the grid regularization does not impede the second order spatial convergence rate, 2) the Courant condition can be used for time marching but the projection splitting error reduces the convergence rate to first order, and 3) moving boundaries and arbitrary grid distortions can readily be handled. Financial support provided by the National Science Foundation (NSF) Graduate Research Fellowship, Grant No. DGE-1148903.

Regularized Chapman-Enskog expansion for scalar conservation laws

NASA Technical Reports Server (NTRS)

Schochet, Steven; Tadmor, Eitan

1990-01-01

Rosenau has recently proposed a regularized version of the Chapman-Enskog expansion of hydrodynamics. This regularized expansion resembles the usual Navier-Stokes viscosity terms at law wave-numbers, but unlike the latter, it has the advantage of being a bounded macroscopic approximation to the linearized collision operator. The behavior of Rosenau regularization of the Chapman-Enskog expansion (RCE) is studied in the context of scalar conservation laws. It is shown that thie RCE model retains the essential properties of the usual viscosity approximation, e.g., existence of traveling waves, monotonicity, upper-Lipschitz continuity..., and at the same time, it sharpens the standard viscous shock layers. It is proved that the regularized RCE approximation converges to the underlying inviscid entropy solution as its mean-free-path epsilon approaches 0, and the convergence rate is estimated.

Fast and Analytical EAP Approximation from a 4th-Order Tensor

PubMed Central

Ghosh, Aurobrata; Deriche, Rachid

2012-01-01

Generalized diffusion tensor imaging (GDTI) was developed to model complex apparent diffusivity coefficient (ADC) using higher-order tensors (HOTs) and to overcome the inherent single-peak shortcoming of DTI. However, the geometry of a complex ADC profile does not correspond to the underlying structure of fibers. This tissue geometry can be inferred from the shape of the ensemble average propagator (EAP). Though interesting methods for estimating a positive ADC using 4th-order diffusion tensors were developed, GDTI in general was overtaken by other approaches, for example, the orientation distribution function (ODF), since it is considerably difficult to recuperate the EAP from a HOT model of the ADC in GDTI. In this paper, we present a novel closed-form approximation of the EAP using Hermite polynomials from a modified HOT model of the original GDTI-ADC. Since the solution is analytical, it is fast, differentiable, and the approximation converges well to the true EAP. This method also makes the effort of computing a positive ADC worthwhile, since now both the ADC and the EAP can be used and have closed forms. We demonstrate our approach with 4th-order tensors on synthetic data and in vivo human data. PMID:23365552

Recovering fine details from under-resolved electron tomography data using higher order total variation ℓ 1 regularization

DOE PAGES

Sanders, Toby; Gelb, Anne; Platte, Rodrigo B.; ...

2017-01-03

Over the last decade or so, reconstruction methods using ℓ 1 regularization, often categorized as compressed sensing (CS) algorithms, have significantly improved the capabilities of high fidelity imaging in electron tomography. The most popular ℓ 1 regularization approach within electron tomography has been total variation (TV) regularization. In addition to reducing unwanted noise, TV regularization encourages a piecewise constant solution with sparse boundary regions. In this paper we propose an alternative ℓ 1 regularization approach for electron tomography based on higher order total variation (HOTV). Like TV, the HOTV approach promotes solutions with sparse boundary regions. In smooth regions however,more » the solution is not limited to piecewise constant behavior. We demonstrate that this allows for more accurate reconstruction of a broader class of images – even those for which TV was designed for – particularly when dealing with pragmatic tomographic sampling patterns and very fine image features. In conclusion, we develop results for an electron tomography data set as well as a phantom example, and we also make comparisons with discrete tomography approaches.« less

Some spectral approximation of one-dimensional fourth-order problems

NASA Technical Reports Server (NTRS)

Bernardi, Christine; Maday, Yvon

1989-01-01

Some spectral type collocation method well suited for the approximation of fourth-order systems are proposed. The model problem is the biharmonic equation, in one and two dimensions when the boundary conditions are periodic in one direction. It is proved that the standard Gauss-Lobatto nodes are not the best choice for the collocation points. Then, a new set of nodes related to some generalized Gauss type quadrature formulas is proposed. Also provided is a complete analysis of these formulas including some new issues about the asymptotic behavior of the weights and we apply these results to the analysis of the collocation method.

Low-frequency approximation for high-order harmonic generation by a bicircular laser field

NASA Astrophysics Data System (ADS)

Milošević, D. B.

2018-01-01

We present low-frequency approximation (LFA) for high-order harmonic generation (HHG) process. LFA represents the lowest-order term of an expansion of the final-state interaction matrix element in powers of the laser-field frequency ω . In this approximation the plane-wave recombination matrix element which appears in the strong-field approximation is replaced by the exact laser-free recombination matrix element calculated for the laser-field dressed electron momenta. First, we have shown that the HHG spectra obtained using the LFA agree with those obtained solving the time-dependent Schrödinger equation. Next, we have applied this LFA to calculate the HHG rate for inert gases exposed to a bicircular field. The bicircular field, which consists of two coplanar counter-rotating fields having different frequencies (usually ω and 2 ω ), is presently an important subject of scientific research since it enables efficient generation of circularly polarized high-order harmonics (coherent soft x rays). Analyzing the photorecombination matrix element we have found that the HHG rate can efficiently be calculated using the angular momentum basis with the states oriented in the direction of the bicircular field components. Our numerical results show that the HHG rate for atoms having p ground state, for higher high-order harmonic energies, is larger for circularly polarized harmonics having the helicity -1 . For lower energies the harmonics having helicity +1 prevails. The transition between these two harmonic energy regions can appear near the Cooper minimum, which, in the case of Ar atoms, makes the selection of high-order harmonics having the same helicity much easier. This is important for applications (for example, for generation of attosecond pulse trains of circularly polarized harmonics).

A Varifold Approach to Surface Approximation

NASA Astrophysics Data System (ADS)

Buet, Blanche; Leonardi, Gian Paolo; Masnou, Simon

2017-11-01

We show that the theory of varifolds can be suitably enriched to open the way to applications in the field of discrete and computational geometry. Using appropriate regularizations of the mass and of the first variation of a varifold we introduce the notion of approximate mean curvature and show various convergence results that hold, in particular, for sequences of discrete varifolds associated with point clouds or pixel/voxel-type discretizations of d-surfaces in the Euclidean n-space, without restrictions on dimension and codimension. The variational nature of the approach also allows us to consider surfaces with singularities, and in that case the approximate mean curvature is consistent with the generalized mean curvature of the limit surface. A series of numerical tests are provided in order to illustrate the effectiveness and generality of the method.

Regularized learning of linear ordered-statistic constant false alarm rate filters (Conference Presentation)

NASA Astrophysics Data System (ADS)

Havens, Timothy C.; Cummings, Ian; Botts, Jonathan; Summers, Jason E.

2017-05-01

The linear ordered statistic (LOS) is a parameterized ordered statistic (OS) that is a weighted average of a rank-ordered sample. LOS operators are useful generalizations of aggregation as they can represent any linear aggregation, from minimum to maximum, including conventional aggregations, such as mean and median. In the fuzzy logic field, these aggregations are called ordered weighted averages (OWAs). Here, we present a method for learning LOS operators from training data, viz., data for which you know the output of the desired LOS. We then extend the learning process with regularization, such that a lower complexity or sparse LOS can be learned. Hence, we discuss what 'lower complexity' means in this context and how to represent that in the optimization procedure. Finally, we apply our learning methods to the well-known constant-false-alarm-rate (CFAR) detection problem, specifically for the case of background levels modeled by long-tailed distributions, such as the K-distribution. These backgrounds arise in several pertinent imaging problems, including the modeling of clutter in synthetic aperture radar and sonar (SAR and SAS) and in wireless communications.

Analytic model of a multi-electron atom

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Errors from approximation of ODE systems with reduced order models

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

Vassilevska, Tanya

2016-12-30

This is a code to calculate the error from approximation of systems of ordinary differential equations (ODEs) by using Proper Orthogonal Decomposition (POD) Reduced Order Models (ROM) methods and to compare and analyze the errors for two POD ROM variants. The first variant is the standard POD ROM, the second variant is a modification of the method using the values of the time derivatives (a.k.a. time-derivative snapshots). The code compares the errors from the two variants under different conditions.

Strictly stable high order difference approximations for computational aeroacoustics

NASA Astrophysics Data System (ADS)

Müller, Bernhard; Johansson, Stefan

2005-09-01

High order finite difference approximations with improved accuracy and stability properties have been developed for computational aeroacoustics (CAA). One of our new difference operators corresponds to Tam and Webb's DRP scheme in the interior, but is modified near the boundaries to be strictly stable. A unified formulation of the nonlinear and linearized Euler equations is used, which can be extended to the Navier-Stokes equations. The approach has been verified for 1D, 2D and axisymmetric test problems. We have simulated the sound propagation from a rocket launch before lift-off. To cite this article: B. Müller, S. Johansson, C. R. Mecanique 333 (2005).

Deterministic time-reversible thermostats: chaos, ergodicity, and the zeroth law of thermodynamics

NASA Astrophysics Data System (ADS)

Patra, Puneet Kumar; Sprott, Julien Clinton; Hoover, William Graham; Griswold Hoover, Carol

2015-09-01

The relative stability and ergodicity of deterministic time-reversible thermostats, both singly and in coupled pairs, are assessed through their Lyapunov spectra. Five types of thermostat are coupled to one another through a single Hooke's-law harmonic spring. The resulting dynamics shows that three specific thermostat types, Hoover-Holian, Ju-Bulgac, and Martyna-Klein-Tuckerman, have very similar Lyapunov spectra in their equilibrium four-dimensional phase spaces and when coupled in equilibrium or nonequilibrium pairs. All three of these oscillator-based thermostats are shown to be ergodic, with smooth analytic Gaussian distributions in their extended phase spaces (coordinate, momentum, and two control variables). Evidently these three ergodic and time-reversible thermostat types are particularly useful as statistical-mechanical thermometers and thermostats. Each of them generates Gibbs' universal canonical distribution internally as well as for systems to which they are coupled. Thus they obey the zeroth law of thermodynamics, as a good heat bath should. They also provide dissipative heat flow with relatively small nonlinearity when two or more such temperature baths interact and provide useful deterministic replacements for the stochastic Langevin equation.

Well-Balanced Second-Order Approximation of the Shallow Water Equations With Friction via Continuous Galerkin Finite Elements

NASA Astrophysics Data System (ADS)

Quezada de Luna, M.; Farthing, M.; Guermond, J. L.; Kees, C. E.; Popov, B.

2017-12-01

The Shallow Water Equations (SWEs) are popular for modeling non-dispersive incompressible water waves where the horizontal wavelength is much larger than the vertical scales. They can be derived from the incompressible Navier-Stokes equations assuming a constant vertical velocity. The SWEs are important in Geophysical Fluid Dynamics for modeling surface gravity waves in shallow regimes; e.g., in the deep ocean. Some common geophysical applications are the evolution of tsunamis, river flooding and dam breaks, storm surge simulations, atmospheric flows and others. This work is concerned with the approximation of the time-dependent Shallow Water Equations with friction using explicit time stepping and continuous finite elements. The objective is to construct a method that is at least second-order accurate in space and third or higher-order accurate in time, positivity preserving, well-balanced with respect to rest states, well-balanced with respect to steady sliding solutions on inclined planes and robust with respect to dry states. Methods fulfilling the desired goals are common within the finite volume literature. However, to the best of our knowledge, schemes with the above properties are not well developed in the context of continuous finite elements. We start this work based on a finite element method that is second-order accurate in space, positivity preserving and well-balanced with respect to rest states. We extend it by: modifying the artificial viscosity (via the entropy viscosity method) to deal with issues of loss of accuracy around local extrema, considering a singular Manning friction term handled via an explicit discretization under the usual CFL condition, considering a water height regularization that depends on the mesh size and is consistent with the polynomial approximation, reducing dispersive errors introduced by lumping the mass matrix and others. After presenting the details of the method we show numerical tests that demonstrate the well

Wave vector modification of the infinite order sudden approximation

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

Sachs, J.G.; Bowman, J.M.

1980-10-15

A simple method is proposed to modify the infinite order sudden approximation (IOS) in order to extend its region of quantitative validity. The method involves modifying the phase of the IOS scattering matrix to include a part calculated at the outgoing relative kinetic energy as well as a part calculated at the incoming kinetic energy. An immediate advantage of this modification is that the resulting S matrix is symmetric. We also present a closely related method in which the relative kinetic energies used in the calculation of the phase are determined from quasiclassical trajectory calculations. A set of trajectories ismore » run with the initial state being the incoming state, and another set is run with the initial state being the outgoing state, and the average final relative kinetic energy of each set is obtained. One part of the S-operator phase is then calculated at each of these kinetic energies. We apply these methods to vibrationally inelastic collinear collisions of an atom and a harmonic oscillator, and calculate transition probabilities P/sub n/1..-->..nf for three model systems. For systems which are sudden, or nearly so, the agreement with exact quantum close-coupling calculations is substantially improved over standard IOS ones when ..delta..n=such thatub f/-n/sub i/ is large, and the corresponding transition probability is small, i.e., less than 0.1. However, the modifications we propose will not improve the accuracy of the IOS transition probabilities for any collisional system unless the standard form of IOS already gives at least qualitative agreement with exact quantal calculations. We also suggest comparisons between some classical quantities and sudden predictions which should help in determining the validity of the sudden approximation. This is useful when exact quantal data is not available for comparison.« less

Wave vector modification of the infinite order sudden approximation

NASA Astrophysics Data System (ADS)

Sachs, Judith Grobe; Bowman, Joel M.

1980-10-01

A simple method is proposed to modify the infinite order sudden approximation (IOS) in order to extend its region of quantitative validity. The method involves modifying the phase of the IOS scattering matrix to include a part calculated at the outgoing relative kinetic energy as well as a part calculated at the incoming kinetic energy. An immediate advantage of this modification is that the resulting S matrix is symmetric. We also present a closely related method in which the relative kinetic energies used in the calculation of the phase are determined from quasiclassical trajectory calculations. A set of trajectories is run with the initial state being the incoming state, and another set is run with the initial state being the outgoing state, and the average final relative kinetic energy of each set is obtained. One part of the S-operator phase is then calculated at each of these kinetic energies. We apply these methods to vibrationally inelastic collinear collisions of an atom and a harmonic oscillator, and calculate transition probabilities Pn1→nf for three model systems. For systems which are sudden, or nearly so, the agreement with exact quantum close-coupling calculations is substantially improved over standard IOS ones when Δn=‖nf-ni‖ is large, and the corresponding transition probability is small, i.e., less than 0.1. However, the modifications we propose will not improve the accuracy of the IOS transition probabilities for any collisional system unless the standard form of IOS already gives at least qualitative agreement with exact quantal calculations. We also suggest comparisons between some classical quantities and sudden predictions which should help in determining the validity of the sudden approximation. This is useful when exact quantal data is not available for comparison.

A regularized vortex-particle mesh method for large eddy simulation

NASA Astrophysics Data System (ADS)

Spietz, H. J.; Walther, J. H.; Hejlesen, M. M.

2017-11-01

We present recent developments of the remeshed vortex particle-mesh method for simulating incompressible fluid flow. The presented method relies on a parallel higher-order FFT based solver for the Poisson equation. Arbitrary high order is achieved through regularization of singular Green's function solutions to the Poisson equation and recently we have derived novel high order solutions for a mixture of open and periodic domains. With this approach the simulated variables may formally be viewed as the approximate solution to the filtered Navier Stokes equations, hence we use the method for Large Eddy Simulation by including a dynamic subfilter-scale model based on test-filters compatible with the aforementioned regularization functions. Further the subfilter-scale model uses Lagrangian averaging, which is a natural candidate in light of the Lagrangian nature of vortex particle methods. A multiresolution variation of the method is applied to simulate the benchmark problem of the flow past a square cylinder at Re = 22000 and the obtained results are compared to results from the literature.

Physical Applications of a Simple Approximation of Bessel Functions of Integer Order

ERIC Educational Resources Information Center

Barsan, V.; Cojocaru, S.

2007-01-01

Applications of a simple approximation of Bessel functions of integer order, in terms of trigonometric functions, are discussed for several examples from electromagnetism and optics. The method may be applied in the intermediate regime, bridging the "small values regime" and the "asymptotic" one, and covering, in this way, an area of great…

Surface waves on multilayer hyperbolic metamaterials: Operator approach to effective medium approximation

NASA Astrophysics Data System (ADS)

Popov, Vladislav; Lavrinenko, Andrei V.; Novitsky, Andrey

2018-03-01

In this paper, we elaborate on the operator effective medium approximation developed recently in Popov et al. [Phys. Rev. B 94, 085428 (2016), 10.1103/PhysRevB.94.085428] to get insight into the surface polariton excitation at the interface of a multilayer hyperbolic metamaterial (HMM). In particular, we find that HMMs with bilayer unit cells support the TE- and TM-polarized surface waves beyond the Maxwell Garnett approximation due to the spatial dispersion interpreted as effective magnetoelectric coupling. The latter is also responsible for the dependence of surface wave propagation on the order of layers in the unit cell. Elimination of the magnetoelectric coupling in three-layer unit cells complying with inversion symmetry restores the qualitative regularity of the Maxwell Garnett approximation, as well as strongly suppresses the influence of the order of layers in the unit cell.

Approximate series solution of multi-dimensional, time fractional-order (heat-like) diffusion equations using FRDTM.

PubMed

Singh, Brajesh K; Srivastava, Vineet K

2015-04-01

The main goal of this paper is to present a new approximate series solution of the multi-dimensional (heat-like) diffusion equation with time-fractional derivative in Caputo form using a semi-analytical approach: fractional-order reduced differential transform method (FRDTM). The efficiency of FRDTM is confirmed by considering four test problems of the multi-dimensional time fractional-order diffusion equation. FRDTM is a very efficient, effective and powerful mathematical tool which provides exact or very close approximate solutions for a wide range of real-world problems arising in engineering and natural sciences, modelled in terms of differential equations.

Approximate series solution of multi-dimensional, time fractional-order (heat-like) diffusion equations using FRDTM

PubMed Central

Singh, Brajesh K.; Srivastava, Vineet K.

2015-01-01

The main goal of this paper is to present a new approximate series solution of the multi-dimensional (heat-like) diffusion equation with time-fractional derivative in Caputo form using a semi-analytical approach: fractional-order reduced differential transform method (FRDTM). The efficiency of FRDTM is confirmed by considering four test problems of the multi-dimensional time fractional-order diffusion equation. FRDTM is a very efficient, effective and powerful mathematical tool which provides exact or very close approximate solutions for a wide range of real-world problems arising in engineering and natural sciences, modelled in terms of differential equations. PMID:26064639

Nonlinear second order evolution inclusions with noncoercive viscosity term

NASA Astrophysics Data System (ADS)

Papageorgiou, Nikolaos S.; Rădulescu, Vicenţiu D.; Repovš, Dušan D.

2018-04-01

In this paper we deal with a second order nonlinear evolution inclusion, with a nonmonotone, noncoercive viscosity term. Using a parabolic regularization (approximation) of the problem and a priori bounds that permit passing to the limit, we prove that the problem has a solution.

Regularized matrix regression

PubMed Central

Zhou, Hua; Li, Lexin

2014-01-01

Summary Modern technologies are producing a wealth of data with complex structures. For instance, in two-dimensional digital imaging, flow cytometry and electroencephalography, matrix-type covariates frequently arise when measurements are obtained for each combination of two underlying variables. To address scientific questions arising from those data, new regression methods that take matrices as covariates are needed, and sparsity or other forms of regularization are crucial owing to the ultrahigh dimensionality and complex structure of the matrix data. The popular lasso and related regularization methods hinge on the sparsity of the true signal in terms of the number of its non-zero coefficients. However, for the matrix data, the true signal is often of, or can be well approximated by, a low rank structure. As such, the sparsity is frequently in the form of low rank of the matrix parameters, which may seriously violate the assumption of the classical lasso. We propose a class of regularized matrix regression methods based on spectral regularization. A highly efficient and scalable estimation algorithm is developed, and a degrees-of-freedom formula is derived to facilitate model selection along the regularization path. Superior performance of the method proposed is demonstrated on both synthetic and real examples. PMID:24648830

Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations.

PubMed

Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

2016-10-01

Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m:-n electrolyte. A perturbation series is developed in terms of g=4πκb, where band1/κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m≠n), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

The Approximation of Two-Mode Proximity Matrices by Sums of Order-Constrained Matrices.

ERIC Educational Resources Information Center

Hubert, Lawrence; Arabie, Phipps

1995-01-01

A least-squares strategy is proposed for representing a two-mode proximity matrix as an approximate sum of a small number of matrices that satisfy certain simple order constraints on their entries. The primary class of constraints considered defines Q-forms for particular conditions in a two-mode matrix. (SLD)

Infinite order sudden approximation for rotational energy transfer in gaseous mixtures

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

Goldflam, R.; Green, S.; Kouri, D.J.

1977-11-01

Rotational energy transfer in gaseous mixtures has been considered within the framework of the infinite order sudden (IOS) approximation. A new derivation of the IOS from the coupled states Lippmann--Schwinger equation is given. This approach shows the relation between the IOS and CS T matrices and also shows in a rather transparent fashion Sencrest's result that the IOS method does not truncate closed channels but rather employs a closure relation to sum over all rotor states. The general CS effective cross section formula for relaxation processes is used, along with the IOS approximation to the CS T matrix, to derivemore » the general IOS effctive cross section.Factorization permits one to calculate other types of cross sections if any one type of cross section has been obtained by some procedure. The functional form can also be used to compact data. This formalism has been applied to calculate pressure broadening for the systems HD--He, HCl--He, CO--He, HCN--He, HCl--Ar, and CO/sub 2/--Ar. To test the IOS approximation, comparisons have been made to the CS results, which are known to be accurate for all these systems. The IOS approximation is found to be very accurate whenever the rotor spacings are small compared to the kinetic energy, provided closed channels do not play too great a role. For the systems CO--He, HCN--He, and CO/sub 2/--Ar, these conditions are well satisfied and the IOS is found to yield results accurate to within 10%--15%.« less

Modified truncated randomized singular value decomposition (MTRSVD) algorithms for large scale discrete ill-posed problems with general-form regularization

NASA Astrophysics Data System (ADS)

Jia, Zhongxiao; Yang, Yanfei

2018-05-01

In this paper, we propose new randomization based algorithms for large scale linear discrete ill-posed problems with general-form regularization: subject to , where L is a regularization matrix. Our algorithms are inspired by the modified truncated singular value decomposition (MTSVD) method, which suits only for small to medium scale problems, and randomized SVD (RSVD) algorithms that generate good low rank approximations to A. We use rank-k truncated randomized SVD (TRSVD) approximations to A by truncating the rank- RSVD approximations to A, where q is an oversampling parameter. The resulting algorithms are called modified TRSVD (MTRSVD) methods. At every step, we use the LSQR algorithm to solve the resulting inner least squares problem, which is proved to become better conditioned as k increases so that LSQR converges faster. We present sharp bounds for the approximation accuracy of the RSVDs and TRSVDs for severely, moderately and mildly ill-posed problems, and substantially improve a known basic bound for TRSVD approximations. We prove how to choose the stopping tolerance for LSQR in order to guarantee that the computed and exact best regularized solutions have the same accuracy. Numerical experiments illustrate that the best regularized solutions by MTRSVD are as accurate as the ones by the truncated generalized singular value decomposition (TGSVD) algorithm, and at least as accurate as those by some existing truncated randomized generalized singular value decomposition (TRGSVD) algorithms. This work was supported in part by the National Science Foundation of China (Nos. 11771249 and 11371219).

Data approximation using a blending type spline construction

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

Dalmo, Rune; Bratlie, Jostein

2014-11-18

Generalized expo-rational B-splines (GERBS) is a blending type spline construction where local functions at each knot are blended together by C{sup k}-smooth basis functions. One way of approximating discrete regular data using GERBS is by partitioning the data set into subsets and fit a local function to each subset. Partitioning and fitting strategies can be devised such that important or interesting data points are interpolated in order to preserve certain features. We present a method for fitting discrete data using a tensor product GERBS construction. The method is based on detection of feature points using differential geometry. Derivatives, which aremore » necessary for feature point detection and used to construct local surface patches, are approximated from the discrete data using finite differences.« less

Testing approximate theories of first-order phase transitions on the two-dimensional Potts model

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

Dasgupta, C.; Pandit, R.

The two-dimensional, q-state (q > 4) Potts model is used as a testing ground for approximate theories of first-order phase transitions. In particular, the predictions of a theory analogous to the Ramakrishnan-Yussouff theory of freezing are compared with those of ordinary mean-field (Curie-Wiess) theory. It is found that the Curie-Weiss theory is a better approximation than the Ramakrishnan-Yussouff theory, even though the former neglects all fluctuations. It is shown that the Ramakrishnan-Yussouff theory overestimates the effects of fluctuations in this system. The reasons behind the failure of the Ramakrishnan-Yussouff approximation and the suitability of using the two-dimensional Potts model asmore » a testing ground for these theories are discussed.« less

Tunneling effects in electromagnetic wave scattering by nonspherical particles: A comparison of the Debye series and physical-geometric optics approximations

NASA Astrophysics Data System (ADS)

Bi, Lei; Yang, Ping

2016-07-01

The accuracy of the physical-geometric optics (PG-O) approximation is examined for the simulation of electromagnetic scattering by nonspherical dielectric particles. This study seeks a better understanding of the tunneling effect on the phase matrix by employing the invariant imbedding method to rigorously compute the zeroth-order Debye series, from which the tunneling efficiency and the phase matrix corresponding to the diffraction and external reflection are obtained. The tunneling efficiency is shown to be a factor quantifying the relative importance of the tunneling effect over the Fraunhofer diffraction near the forward scattering direction. Due to the tunneling effect, different geometries with the same projected cross section might have different diffraction patterns, which are traditionally assumed to be identical according to the Babinet principle. For particles with a fixed orientation, the PG-O approximation yields the external reflection pattern with reasonable accuracy, but ordinarily fails to predict the locations of peaks and minima in the diffraction pattern. The larger the tunneling efficiency, the worse the PG-O accuracy is at scattering angles less than 90°. If the particles are assumed to be randomly oriented, the PG-O approximation yields the phase matrix close to the rigorous counterpart, primarily due to error cancellations in the orientation-average process. Furthermore, the PG-O approximation based on an electric field volume-integral equation is shown to usually be much more accurate than the Kirchhoff surface integral equation at side-scattering angles, particularly when the modulus of the complex refractive index is close to unity. Finally, tunneling efficiencies are tabulated for representative faceted particles.

Optical diffraction by ordered 2D arrays of silica microspheres

NASA Astrophysics Data System (ADS)

Shcherbakov, A. A.; Shavdina, O.; Tishchenko, A. V.; Veillas, C.; Verrier, I.; Dellea, O.; Jourlin, Y.

2017-03-01

The article presents experimental and theoretical studies of angular dependent diffraction properties of 2D monolayer arrays of silica microspheres. High-quality large area defect-free monolayers of 1 μm diameter silica microspheres were deposited by the Langmuir-Blodgett technique under an accurate optical control. Measured angular dependencies of zeroth and one of the first order diffraction efficiencies produced by deposited samples were simulated by the rigorous Generalized Source Method taking into account particle size dispersion and lattice nonideality.

High-order harmonic generation in solid slabs beyond the single-active-electron approximation

NASA Astrophysics Data System (ADS)

Hansen, Kenneth K.; Deffge, Tobias; Bauer, Dieter

2017-11-01

High-harmonic generation by a laser-driven solid slab is simulated using time-dependent density functional theory. Multiple harmonic plateaus up to very high harmonic orders are observed already at surprisingly low field strengths. The full all-electron harmonic spectra are, in general, very different from those of any individual Kohn-Sham orbital. Freezing the Kohn-Sham potential instead is found to be a good approximation for the laser intensities and harmonic orders considered. The origins of the plateau cutoffs are explained in terms of band gaps that can be reached by Kohn-Sham electrons and holes moving through the band structure.

Dimensional regularization of the IR divergences in the Fokker action of point-particle binaries at the fourth post-Newtonian order

NASA Astrophysics Data System (ADS)

Bernard, Laura; Blanchet, Luc; Bohé, Alejandro; Faye, Guillaume; Marsat, Sylvain

2017-11-01

The Fokker action of point-particle binaries at the fourth post-Newtonian (4PN) approximation of general relativity has been determined previously. However two ambiguity parameters associated with infrared (IR) divergencies of spatial integrals had to be introduced. These two parameters were fixed by comparison with gravitational self-force (GSF) calculations of the conserved energy and periastron advance for circular orbits in the test-mass limit. In the present paper together with a companion paper, we determine both these ambiguities from first principle, by means of dimensional regularization. Our computation is thus entirely defined within the dimensional regularization scheme, for treating at once the IR and ultra-violet (UV) divergencies. In particular, we obtain crucial contributions coming from the Einstein-Hilbert part of the action and from the nonlocal tail term in arbitrary dimensions, which resolve the ambiguities.

High Order Approximations for Compressible Fluid Dynamics on Unstructured and Cartesian Meshes

NASA Technical Reports Server (NTRS)

Barth, Timothy (Editor); Deconinck, Herman (Editor)

1999-01-01

The development of high-order accurate numerical discretization techniques for irregular domains and meshes is often cited as one of the remaining challenges facing the field of computational fluid dynamics. In structural mechanics, the advantages of high-order finite element approximation are widely recognized. This is especially true when high-order element approximation is combined with element refinement (h-p refinement). In computational fluid dynamics, high-order discretization methods are infrequently used in the computation of compressible fluid flow. The hyperbolic nature of the governing equations and the presence of solution discontinuities makes high-order accuracy difficult to achieve. Consequently, second-order accurate methods are still predominately used in industrial applications even though evidence suggests that high-order methods may offer a way to significantly improve the resolution and accuracy for these calculations. To address this important topic, a special course was jointly organized by the Applied Vehicle Technology Panel of NATO's Research and Technology Organization (RTO), the von Karman Institute for Fluid Dynamics, and the Numerical Aerospace Simulation Division at the NASA Ames Research Center. The NATO RTO sponsored course entitled "Higher Order Discretization Methods in Computational Fluid Dynamics" was held September 14-18, 1998 at the von Karman Institute for Fluid Dynamics in Belgium and September 21-25, 1998 at the NASA Ames Research Center in the United States. During this special course, lecturers from Europe and the United States gave a series of comprehensive lectures on advanced topics related to the high-order numerical discretization of partial differential equations with primary emphasis given to computational fluid dynamics (CFD). Additional consideration was given to topics in computational physics such as the high-order discretization of the Hamilton-Jacobi, Helmholtz, and elasticity equations. This volume consists

Approximate solution of space and time fractional higher order phase field equation

NASA Astrophysics Data System (ADS)

Shamseldeen, S.

2018-03-01

This paper is concerned with a class of space and time fractional partial differential equation (STFDE) with Riesz derivative in space and Caputo in time. The proposed STFDE is considered as a generalization of a sixth-order partial phase field equation. We describe the application of the optimal homotopy analysis method (OHAM) to obtain an approximate solution for the suggested fractional initial value problem. An averaged-squared residual error function is defined and used to determine the optimal convergence control parameter. Two numerical examples are studied, considering periodic and non-periodic initial conditions, to justify the efficiency and the accuracy of the adopted iterative approach. The dependence of the solution on the order of the fractional derivative in space and time and model parameters is investigated.

High-order above-threshold ionization beyond the electric dipole approximation

NASA Astrophysics Data System (ADS)

Brennecke, Simon; Lein, Manfred

2018-05-01

Photoelectron momentum distributions from strong-field ionization are calculated by numerical solution of the one-electron time-dependent Schrödinger equation for a model atom including effects beyond the electric dipole approximation. We focus on the high-energy electrons from rescattering and analyze their momentum component along the field propagation direction. We show that the boundary of the calculated momentum distribution is deformed in accordance with the classical three-step model including the beyond-dipole Lorentz force. In addition, the momentum distribution exhibits an asymmetry in the signal strengths of electrons emitted in the forward/backward directions. Taken together, the two non-dipole effects give rise to a considerable average forward momentum component of the order of 0.1 a.u. for realistic laser parameters.

Extension of the KLI approximation toward the exact optimized effective potential.

PubMed

Iafrate, G J; Krieger, J B

2013-03-07

determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.

Extension of the KLI approximation toward the exact optimized effective potential

NASA Astrophysics Data System (ADS)

Iafrate, G. J.; Krieger, J. B.

2013-03-01

determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.

Second order accurate finite difference approximations for the transonic small disturbance equation and the full potential equation

NASA Technical Reports Server (NTRS)

Mostrel, M. M.

1988-01-01

New shock-capturing finite difference approximations for solving two scalar conservation law nonlinear partial differential equations describing inviscid, isentropic, compressible flows of aerodynamics at transonic speeds are presented. A global linear stability theorem is applied to these schemes in order to derive a necessary and sufficient condition for the finite element method. A technique is proposed to render the described approximations total variation-stable by applying the flux limiters to the nonlinear terms of the difference equation dimension by dimension. An entropy theorem applying to the approximations is proved, and an implicit, forward Euler-type time discretization of the approximation is presented. Results of some numerical experiments using the approximations are reported.

Optimal Tikhonov Regularization in Finite-Frequency Tomography

NASA Astrophysics Data System (ADS)

Fang, Y.; Yao, Z.; Zhou, Y.

2017-12-01

The last decade has witnessed a progressive transition in seismic tomography from ray theory to finite-frequency theory which overcomes the resolution limit of the high-frequency approximation in ray theory. In addition to approximations in wave propagation physics, a main difference between ray-theoretical tomography and finite-frequency tomography is the sparseness of the associated sensitivity matrix. It is well known that seismic tomographic problems are ill-posed and regularizations such as damping and smoothing are often applied to analyze the tradeoff between data misfit and model uncertainty. The regularizations depend on the structure of the matrix as well as noise level of the data. Cross-validation has been used to constrain data uncertainties in body-wave finite-frequency inversions when measurements at multiple frequencies are available to invert for a common structure. In this study, we explore an optimal Tikhonov regularization in surface-wave phase-velocity tomography based on minimization of an empirical Bayes risk function using theoretical training datasets. We exploit the structure of the sensitivity matrix in the framework of singular value decomposition (SVD) which also allows for the calculation of complete resolution matrix. We compare the optimal Tikhonov regularization in finite-frequency tomography with traditional tradeo-off analysis using surface wave dispersion measurements from global as well as regional studies.

Kinetic theory of binary particles with unequal mean velocities and non-equipartition energies

NASA Astrophysics Data System (ADS)

Chen, Yanpei; Mei, Yifeng; Wang, Wei

2017-03-01

The hydrodynamic conservation equations and constitutive relations for a binary granular mixture composed of smooth, nearly elastic spheres with non-equipartition energies and different mean velocities are derived. This research is aimed to build three-dimensional kinetic theory to characterize the behaviors of two species of particles suffering different forces. The standard Enskog method is employed assuming a Maxwell velocity distribution for each species of particles. The collision components of the stress tensor and the other parameters are calculated from the zeroth- and first-order approximation. Our results demonstrate that three factors, namely the differences between two granular masses, temperatures and mean velocities all play important roles in the stress-strain relation of the binary mixture, indicating that the assumption of energy equipartition and the same mean velocity may not be acceptable. The collision frequency and the solid viscosity increase monotonously with each granular temperature. The zeroth-order approximation to the energy dissipation varies greatly with the mean velocities of both species of spheres, reaching its peak value at the maximum of their relative velocity.

Novel Harmonic Regularization Approach for Variable Selection in Cox's Proportional Hazards Model

PubMed Central

Chu, Ge-Jin; Liang, Yong; Wang, Jia-Xuan

2014-01-01

Variable selection is an important issue in regression and a number of variable selection methods have been proposed involving nonconvex penalty functions. In this paper, we investigate a novel harmonic regularization method, which can approximate nonconvex Lq  (1/2 < q < 1) regularizations, to select key risk factors in the Cox's proportional hazards model using microarray gene expression data. The harmonic regularization method can be efficiently solved using our proposed direct path seeking approach, which can produce solutions that closely approximate those for the convex loss function and the nonconvex regularization. Simulation results based on the artificial datasets and four real microarray gene expression datasets, such as real diffuse large B-cell lymphoma (DCBCL), the lung cancer, and the AML datasets, show that the harmonic regularization method can be more accurate for variable selection than existing Lasso series methods. PMID:25506389

Novel harmonic regularization approach for variable selection in Cox's proportional hazards model.

PubMed

Chu, Ge-Jin; Liang, Yong; Wang, Jia-Xuan

2014-01-01

Variable selection is an important issue in regression and a number of variable selection methods have been proposed involving nonconvex penalty functions. In this paper, we investigate a novel harmonic regularization method, which can approximate nonconvex Lq  (1/2 < q < 1) regularizations, to select key risk factors in the Cox's proportional hazards model using microarray gene expression data. The harmonic regularization method can be efficiently solved using our proposed direct path seeking approach, which can produce solutions that closely approximate those for the convex loss function and the nonconvex regularization. Simulation results based on the artificial datasets and four real microarray gene expression datasets, such as real diffuse large B-cell lymphoma (DCBCL), the lung cancer, and the AML datasets, show that the harmonic regularization method can be more accurate for variable selection than existing Lasso series methods.

Singular perturbation and time scale approaches in discrete control systems

NASA Technical Reports Server (NTRS)

Naidu, D. S.; Price, D. B.

1988-01-01

After considering a singularly perturbed discrete control system, a singular perturbation approach is used to obtain outer and correction subsystems. A time scale approach is then applied via block diagonalization transformations to decouple the system into slow and fast subsystems. To a zeroth-order approximation, the singular perturbation and time-scale approaches are found to yield equivalent results.

More on approximations of Poisson probabilities

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

Kao, C

1980-05-01

Calculation of Poisson probabilities frequently involves calculating high factorials, which becomes tedious and time-consuming with regular calculators. The usual way to overcome this difficulty has been to find approximations by making use of the table of the standard normal distribution. A new transformation proposed by Kao in 1978 appears to perform better for this purpose than traditional transformations. In the present paper several approximation methods are stated and compared numerically, including an approximation method that utilizes a modified version of Kao's transformation. An approximation based on a power transformation was found to outperform those based on the square-root type transformationsmore » as proposed in literature. The traditional Wilson-Hilferty approximation and Makabe-Morimura approximation are extremely poor compared with this approximation. 4 tables. (RWR)« less

Regular scattering patterns from near-cloaking devices and their implications for invisibility cloaking

NASA Astrophysics Data System (ADS)

Kocyigit, Ilker; Liu, Hongyu; Sun, Hongpeng

2013-04-01

In this paper, we consider invisibility cloaking via the transformation optics approach through a ‘blow-up’ construction. An ideal cloak makes use of singular cloaking material. ‘Blow-up-a-small-region’ construction and ‘truncation-of-singularity’ construction are introduced to avoid the singular structure, however, giving only near-cloaks. The study in the literature is to develop various mechanisms in order to achieve high-accuracy approximate near-cloaking devices, and also from a practical viewpoint to nearly cloak an arbitrary content. We study the problem from a different viewpoint. It is shown that for those regularized cloaking devices, the corresponding scattering wave fields due to an incident plane wave have regular patterns. The regular patterns are both a curse and a blessing. On the one hand, the regular wave pattern betrays the location of a cloaking device which is an intrinsic defect due to the ‘blow-up’ construction, and this is particularly the case for the construction by employing a high-loss layer lining. Indeed, our numerical experiments show robust reconstructions of the location, even by implementing the phaseless cross-section data. The construction by employing a high-density layer lining shows a certain promising feature. On the other hand, it is shown that one can introduce an internal point source to produce the canceling scattering pattern to achieve a near-cloak of an arbitrary order of accuracy.

Microwave vector radiative transfer equation of a sea foam layer by the second-order Rayleigh approximation

NASA Astrophysics Data System (ADS)

Wei, En-Bo

2011-10-01

The microwave vector radiative transfer (VRT) equation of a coated spherical bubble layer is derived by means of the second-order Rayleigh approximation field when the microwave wavelength is larger than the coated spherical particle diameter. Meanwhile, the perturbation method is developed to solve the second-order Rayleigh VRT equation for the small ratio of the volume scattering coefficient to the extinction coefficient. As an example, the emissive properties of a sea surface foam layer, which consists of seawater coated bubbles, are investigated. The extinction, absorption, and scattering coefficients of sea foam are obtained by the second-order Rayleigh approximation fields and discussed for the different microwave frequencies and the ratio of inner radius to outer radius of a coated bubble. Our results show that in the dilute limit, the volume scattering coefficient decreases with increasing the ratio of inner radius to outer radius and decreasing the frequencies. It is also found that the microwave emissivity and the extinction coefficient have a peak at very thin seawater coating and its peak value decreases with frequency decrease. Furthermore, with the VRT equation and effective medium approximation of densely coated bubbles, the mechanism of sea foam enhancing the emissivity of a sea surface is disclosed. In addition, excellent agreement is obtained by comparing our VRT results with the experimental data of microwave emissivities of sea surface covered by a sea foam layer at L-band (1.4 GHz) and the Camps' model.

Study of X(5568) in a unitary coupled-channel approximation of BK¯ and Bs π

NASA Astrophysics Data System (ADS)

Sun, Bao-Xi; Dong, Fang-Yong; Pang, Jing-Long

2017-07-01

The potential of the B meson and the pseudoscalar meson is constructed up to the next-to-leading order Lagrangian, and then the BK¯ and Bs π interaction is studied in the unitary coupled-channel approximation. A resonant state with a mass about 5568 MeV and JP =0+ is generated dynamically, which can be associated with the X(5568) state announced by the D0 Collaboration recently. The mass and the decay width of this resonant state depend on the regularization scale in the dimensional regularization scheme, or the maximum momentum in the momentum cutoff regularization scheme. The scattering amplitude of the vector B meson and the pseudoscalar meson is calculated, and an axial-vector state with a mass near 5620 MeV and JP =1+ is produced. Their partners in the charm sector are also discussed.

On the zeroth-order hamiltonian for CASPT2 calculations of spin crossover compounds.

PubMed

Vela, Sergi; Fumanal, Maria; Ribas-Ariño, Jordi; Robert, Vincent

2016-04-15

Complete active space self-consistent field theory (CASSCF) calculations and subsequent second-order perturbation theory treatment (CASPT2) are discussed in the evaluation of the spin-states energy difference (ΔH(elec)) of a series of seven spin crossover (SCO) compounds. The reference values have been extracted from a combination of experimental measurements and DFT + U calculations, as discussed in a recent article (Vela et al., Phys Chem Chem Phys 2015, 17, 16306). It is definitely proven that the critical IPEA parameter used in CASPT2 calculations of ΔH(elec), a key parameter in the design of SCO compounds, should be modified with respect to its default value of 0.25 a.u. and increased up to 0.50 a.u. The satisfactory agreement observed previously in the literature might result from an error cancellation originated in the default IPEA, which overestimates the stability of the HS state, and the erroneous atomic orbital basis set contraction of carbon atoms, which stabilizes the LS states. © 2015 Wiley Periodicals, Inc.

A noninvasive measure of negative-feedback strength, approximate entropy, unmasks strong diurnal variations in the regularity of LH secretion.

PubMed

Liu, Peter Y; Iranmanesh, Ali; Keenan, Daniel M; Pincus, Steven M; Veldhuis, Johannes D

2007-11-01

The secretion of anterior-pituitary hormones is subject to negative feedback. Whether negative feedback evolves dynamically over 24 h is not known. Conventional experimental paradigms to test this concept may induce artifacts due to nonphysiological feedback. These limitations might be overcome by a noninvasive methodology to quantify negative feedback continuously over 24 h without disrupting the axis. The present study exploits a recently validated model-free regularity statistic, approximate entropy (ApEn), which monitors feedback changes with high sensitivity and specificity (both >90%; Pincus SM, Hartman ML, Roelfsema F, Thorner MO, Veldhuis JD. Am J Physiol Endocrinol Metab 273: E948-E957, 1999). A time-incremented moving window of ApEn was applied to LH time series obtained by intensive (10-min) blood sampling for four consecutive days (577 successive measurements) in each of eight healthy men. Analyses unveiled marked 24-h variations in ApEn with daily maxima (lowest feedback) at 1100 +/- 1.7 h (mean +/- SE) and minima (highest feedback) at 0430 +/- 1.9 h. The mean difference between maximal and minimal 24-h LH ApEn was 0.348 +/- 0.018, which differed by P < 0.001 from all three of randomly shuffled versions of the same LH time series, simulated pulsatile data and assay noise. Analyses artificially limited to 24-h rather than 96-h data yielded reproducibility coefficients of 3.7-9.0% for ApEn maxima and minima. In conclusion, a feedback-sensitive regularity statistic unmasks strong and consistent 24-h rhythmicity of the orderliness of unperturbed pituitary-hormone secretion. These outcomes suggest that ApEn may have general utility in probing dynamic mechanisms mediating feedback in other endocrine systems.

Multiple graph regularized protein domain ranking.

PubMed

Wang, Jim Jing-Yan; Bensmail, Halima; Gao, Xin

2012-11-19

Protein domain ranking is a fundamental task in structural biology. Most protein domain ranking methods rely on the pairwise comparison of protein domains while neglecting the global manifold structure of the protein domain database. Recently, graph regularized ranking that exploits the global structure of the graph defined by the pairwise similarities has been proposed. However, the existing graph regularized ranking methods are very sensitive to the choice of the graph model and parameters, and this remains a difficult problem for most of the protein domain ranking methods. To tackle this problem, we have developed the Multiple Graph regularized Ranking algorithm, MultiG-Rank. Instead of using a single graph to regularize the ranking scores, MultiG-Rank approximates the intrinsic manifold of protein domain distribution by combining multiple initial graphs for the regularization. Graph weights are learned with ranking scores jointly and automatically, by alternately minimizing an objective function in an iterative algorithm. Experimental results on a subset of the ASTRAL SCOP protein domain database demonstrate that MultiG-Rank achieves a better ranking performance than single graph regularized ranking methods and pairwise similarity based ranking methods. The problem of graph model and parameter selection in graph regularized protein domain ranking can be solved effectively by combining multiple graphs. This aspect of generalization introduces a new frontier in applying multiple graphs to solving protein domain ranking applications.

A novel condition for stable nonlinear sampled-data models using higher-order discretized approximations with zero dynamics.

PubMed

Zeng, Cheng; Liang, Shan; Xiang, Shuwen

2017-05-01

Continuous-time systems are usually modelled by the form of ordinary differential equations arising from physical laws. However, the use of these models in practice and utilizing, analyzing or transmitting these data from such systems must first invariably be discretized. More importantly, for digital control of a continuous-time nonlinear system, a good sampled-data model is required. This paper investigates the new consistency condition which is weaker than the previous similar results presented. Moreover, given the stability of the high-order approximate model with stable zero dynamics, the novel condition presented stabilizes the exact sampled-data model of the nonlinear system for sufficiently small sampling periods. An insightful interpretation of the obtained results can be made in terms of the stable sampling zero dynamics, and the new consistency condition is surprisingly associated with the relative degree of the nonlinear continuous-time system. Our controller design, based on the higher-order approximate discretized model, extends the existing methods which mainly deal with the Euler approximation. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Application of Newton's method to the postbuckling of rings under pressure loadings

NASA Technical Reports Server (NTRS)

Thurston, Gaylen A.

1989-01-01

The postbuckling response of circular rings (or long cylinders) is examined. The rings are subjected to four types of external pressure loadings; each type of pressure is defined by its magnitude and direction at points on the buckled ring. Newton's method is applied to the nonlinear differential equations of the exact inextensional theory for the ring problem. A zeroth approximation for the solution of the nonlinear equations, based on the mode shape corresponding to the first buckling pressure, is derived in closed form for each of the four types of pressure. The zeroth approximation is used to start the iteration cycle in Newton's method to compute numerical solutions of the nonlinear equations. The zeroth approximations for the postbuckling pressure-deflection curves are compared with the converged solutions from Newton's method and with similar results reported in the literature.

Spectral Regularization Algorithms for Learning Large Incomplete Matrices.

PubMed

Mazumder, Rahul; Hastie, Trevor; Tibshirani, Robert

2010-03-01

We use convex relaxation techniques to provide a sequence of regularized low-rank solutions for large-scale matrix completion problems. Using the nuclear norm as a regularizer, we provide a simple and very efficient convex algorithm for minimizing the reconstruction error subject to a bound on the nuclear norm. Our algorithm Soft-Impute iteratively replaces the missing elements with those obtained from a soft-thresholded SVD. With warm starts this allows us to efficiently compute an entire regularization path of solutions on a grid of values of the regularization parameter. The computationally intensive part of our algorithm is in computing a low-rank SVD of a dense matrix. Exploiting the problem structure, we show that the task can be performed with a complexity linear in the matrix dimensions. Our semidefinite-programming algorithm is readily scalable to large matrices: for example it can obtain a rank-80 approximation of a 10(6) × 10(6) incomplete matrix with 10(5) observed entries in 2.5 hours, and can fit a rank 40 approximation to the full Netflix training set in 6.6 hours. Our methods show very good performance both in training and test error when compared to other competitive state-of-the art techniques.

Spectral Regularization Algorithms for Learning Large Incomplete Matrices

PubMed Central

Mazumder, Rahul; Hastie, Trevor; Tibshirani, Robert

2010-01-01

We use convex relaxation techniques to provide a sequence of regularized low-rank solutions for large-scale matrix completion problems. Using the nuclear norm as a regularizer, we provide a simple and very efficient convex algorithm for minimizing the reconstruction error subject to a bound on the nuclear norm. Our algorithm Soft-Impute iteratively replaces the missing elements with those obtained from a soft-thresholded SVD. With warm starts this allows us to efficiently compute an entire regularization path of solutions on a grid of values of the regularization parameter. The computationally intensive part of our algorithm is in computing a low-rank SVD of a dense matrix. Exploiting the problem structure, we show that the task can be performed with a complexity linear in the matrix dimensions. Our semidefinite-programming algorithm is readily scalable to large matrices: for example it can obtain a rank-80 approximation of a 106 × 106 incomplete matrix with 105 observed entries in 2.5 hours, and can fit a rank 40 approximation to the full Netflix training set in 6.6 hours. Our methods show very good performance both in training and test error when compared to other competitive state-of-the art techniques. PMID:21552465

A new approximation of Fermi-Dirac integrals of order 1/2 for degenerate semiconductor devices

NASA Astrophysics Data System (ADS)

AlQurashi, Ahmed; Selvakumar, C. R.

2018-06-01

There had been tremendous growth in the field of Integrated circuits (ICs) in the past fifty years. Scaling laws mandated both lateral and vertical dimensions to be reduced and a steady increase in doping densities. Most of the modern semiconductor devices have invariably heavily doped regions where Fermi-Dirac Integrals are required. Several attempts have been devoted to developing analytical approximations for Fermi-Dirac Integrals since numerical computations of Fermi-Dirac Integrals are difficult to use in semiconductor devices, although there are several highly accurate tabulated functions available. Most of these analytical expressions are not sufficiently suitable to be employed in semiconductor device applications due to their poor accuracy, the requirement of complicated calculations, and difficulties in differentiating and integrating. A new approximation has been developed for the Fermi-Dirac integrals of the order 1/2 by using Prony's method and discussed in this paper. The approximation is accurate enough (Mean Absolute Error (MAE) = 0.38%) and easy enough to be used in semiconductor device equations. The new approximation of Fermi-Dirac Integrals is applied to a more generalized Einstein Relation which is an important relation in semiconductor devices.

Regularization of the double period method for experimental data processing

NASA Astrophysics Data System (ADS)

Belov, A. A.; Kalitkin, N. N.

2017-11-01

In physical and technical applications, an important task is to process experimental curves measured with large errors. Such problems are solved by applying regularization methods, in which success depends on the mathematician's intuition. We propose an approximation based on the double period method developed for smooth nonperiodic functions. Tikhonov's stabilizer with a squared second derivative is used for regularization. As a result, the spurious oscillations are suppressed and the shape of an experimental curve is accurately represented. This approach offers a universal strategy for solving a broad class of problems. The method is illustrated by approximating cross sections of nuclear reactions important for controlled thermonuclear fusion. Tables recommended as reference data are obtained. These results are used to calculate the reaction rates, which are approximated in a way convenient for gasdynamic codes. These approximations are superior to previously known formulas in the covered temperature range and accuracy.

A unified framework for approximation in inverse problems for distributed parameter systems

NASA Technical Reports Server (NTRS)

Banks, H. T.; Ito, K.

1988-01-01

A theoretical framework is presented that can be used to treat approximation techniques for very general classes of parameter estimation problems involving distributed systems that are either first or second order in time. Using the approach developed, one can obtain both convergence and stability (continuous dependence of parameter estimates with respect to the observations) under very weak regularity and compactness assumptions on the set of admissible parameters. This unified theory can be used for many problems found in the recent literature and in many cases offers significant improvements to existing results.

Quasinormal modes of gravitational perturbation around regular Bardeen black hole surrounded by quintessence

NASA Astrophysics Data System (ADS)

Saleh, Mahamat; Thomas, Bouetou Bouetou; Kofane, Timoleon Crepin

2018-04-01

In this paper, Quasinormal modes of gravitational perturbation are investigated for the regular Bardeen black hole surrounded by quintessence. Considering the metric of the Bardeen spacetime surrounded by quintessence, we derived the perturbation equation for gravitational perturbation using Regge-Wheeler gauge. The third order Wentzel-Kramers-Brillouin (WKB) approximation method is used to evaluate quasinormal frequencies. Explicitly, the behaviors of the black hole potential and quasinormal modes were plotted. The results show that, due to the presence of quintessence, the gravitational perturbation around the black hole damps more slowly and oscillates more slowly.

Examining the accuracy of the infinite order sudden approximation using sensitivity analysis

NASA Astrophysics Data System (ADS)

Eno, Larry; Rabitz, Herschel

1981-08-01

A method is developed for assessing the accuracy of scattering observables calculated within the framework of the infinite order sudden (IOS) approximation. In particular, we focus on the energy sudden assumption of the IOS method and our approach involves the determination of the sensitivity of the IOS scattering matrix SIOS with respect to a parameter which reintroduces the internal energy operator ?0 into the IOS Hamiltonian. This procedure is an example of sensitivity analysis of missing model components (?0 in this case) in the reference Hamiltonian. In contrast to simple first-order perturbation theory a finite result is obtained for the effect of ?0 on SIOS. As an illustration, our method of analysis is applied to integral state-to-state cross sections for the scattering of an atom and rigid rotor. Results are generated within the He+H2 system and a comparison is made between IOS and coupled states cross sections and the corresponding IOS sensitivities. It is found that the sensitivity coefficients are very useful indicators of the accuracy of the IOS results. Finally, further developments and applications are discussed.

Multiple graph regularized protein domain ranking

PubMed Central

2012-01-01

Background Protein domain ranking is a fundamental task in structural biology. Most protein domain ranking methods rely on the pairwise comparison of protein domains while neglecting the global manifold structure of the protein domain database. Recently, graph regularized ranking that exploits the global structure of the graph defined by the pairwise similarities has been proposed. However, the existing graph regularized ranking methods are very sensitive to the choice of the graph model and parameters, and this remains a difficult problem for most of the protein domain ranking methods. Results To tackle this problem, we have developed the Multiple Graph regularized Ranking algorithm, MultiG-Rank. Instead of using a single graph to regularize the ranking scores, MultiG-Rank approximates the intrinsic manifold of protein domain distribution by combining multiple initial graphs for the regularization. Graph weights are learned with ranking scores jointly and automatically, by alternately minimizing an objective function in an iterative algorithm. Experimental results on a subset of the ASTRAL SCOP protein domain database demonstrate that MultiG-Rank achieves a better ranking performance than single graph regularized ranking methods and pairwise similarity based ranking methods. Conclusion The problem of graph model and parameter selection in graph regularized protein domain ranking can be solved effectively by combining multiple graphs. This aspect of generalization introduces a new frontier in applying multiple graphs to solving protein domain ranking applications. PMID:23157331

Least square regularized regression in sum space.

PubMed

Xu, Yong-Li; Chen, Di-Rong; Li, Han-Xiong; Liu, Lu

2013-04-01

This paper proposes a least square regularized regression algorithm in sum space of reproducing kernel Hilbert spaces (RKHSs) for nonflat function approximation, and obtains the solution of the algorithm by solving a system of linear equations. This algorithm can approximate the low- and high-frequency component of the target function with large and small scale kernels, respectively. The convergence and learning rate are analyzed. We measure the complexity of the sum space by its covering number and demonstrate that the covering number can be bounded by the product of the covering numbers of basic RKHSs. For sum space of RKHSs with Gaussian kernels, by choosing appropriate parameters, we tradeoff the sample error and regularization error, and obtain a polynomial learning rate, which is better than that in any single RKHS. The utility of this method is illustrated with two simulated data sets and five real-life databases.

Electronic excitation spectra of molecules in solution calculated using the symmetry-adapted cluster-configuration interaction method in the polarizable continuum model with perturbative approach

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

Fukuda, Ryoichi, E-mail: fukuda@ims.ac.jp; Ehara, Masahiro; Elements Strategy Initiative for Catalysts and Batteries

A perturbative approximation of the state specific polarizable continuum model (PCM) symmetry-adapted cluster-configuration interaction (SAC-CI) method is proposed for efficient calculations of the electronic excitations and absorption spectra of molecules in solutions. This first-order PCM SAC-CI method considers the solvent effects on the energies of excited states up to the first-order with using the zeroth-order wavefunctions. This method can avoid the costly iterative procedure of the self-consistent reaction field calculations. The first-order PCM SAC-CI calculations well reproduce the results obtained by the iterative method for various types of excitations of molecules in polar and nonpolar solvents. The first-order contribution ismore » significant for the excitation energies. The results obtained by the zeroth-order PCM SAC-CI, which considers the fixed ground-state reaction field for the excited-state calculations, are deviated from the results by the iterative method about 0.1 eV, and the zeroth-order PCM SAC-CI cannot predict even the direction of solvent shifts in n-hexane for many cases. The first-order PCM SAC-CI is applied to studying the solvatochromisms of (2,2{sup ′}-bipyridine)tetracarbonyltungsten [W(CO){sub 4}(bpy), bpy = 2,2{sup ′}-bipyridine] and bis(pentacarbonyltungsten)pyrazine [(OC){sub 5}W(pyz)W(CO){sub 5}, pyz = pyrazine]. The SAC-CI calculations reveal the detailed character of the excited states and the mechanisms of solvent shifts. The energies of metal to ligand charge transfer states are significantly sensitive to solvents. The first-order PCM SAC-CI well reproduces the observed absorption spectra of the tungsten carbonyl complexes in several solvents.« less

Anharmonic phonons and second-order phase-transitions by the stochastic self-consistent harmonic approximation

NASA Astrophysics Data System (ADS)

Mauri, Francesco

Anharmonic effects can generally be treated within perturbation theory. Such an approach breaks down when the harmonic solution is dynamically unstable or when the anharmonic corrections of the phonon energies are larger than the harmonic frequencies themselves. This situation occurs near lattice-related second-order phase-transitions such as charge-density-wave (CDW) or ferroelectric instabilities or in H-containing materials, where the large zero-point motion of the protons results in a violation of the harmonic approximation. Interestingly, even in these cases, phonons can be observed, measured, and used to model transport properties. In order to treat such cases, we developed a stochastic implementation of the self-consistent harmonic approximation valid to treat anharmonicity in the nonperturbative regime and to obtain, from first-principles, the structural, thermodynamic and vibrational properties of strongly anharmonic systems. I will present applications to the ferroelectric transitions in SnTe, to the CWD transitions in NbS2 and NbSe2 (in bulk and monolayer) and to the hydrogen-bond symmetrization transition in the superconducting hydrogen sulfide system, that exhibits the highest Tc reported for any superconductor so far. In all cases we are able to predict the transition temperature (pressure) and the evolution of phonons with temperature (pressure). This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant agreement No. 696656 GrapheneCore1.

The Influence of a Presence of a Heavy Atom on (13)C Shielding Constants in Organomercury Compounds and Halogen Derivatives.

PubMed

Wodyński, Artur; Gryff-Keller, Adam; Pecul, Magdalena

2013-04-09

(13)C nuclear magnetic resonance shielding constants have been calculated by means of density functional theory (DFT) for several organomercury compounds and halogen derivatives of aliphatic and aromatic compounds. Relativistic effects have been included through the four-component Dirac-Kohn-Sham (DKS) method, two-component Zeroth Order Regular Approximation (ZORA) DFT, and DFT with scalar effective core potentials (ECPs). The relative shieldings have been analyzed in terms of the position of carbon atoms with respect to the heavy atom and their hybridization. The results have been compared with the experimental values, some newly measured and some found in the literature. The main aim of the calculations has been to evaluate the magnitude of heavy atom effects on the (13)C shielding constants and to check what are the relative contributions of scalar relativistic effects and spin-orbit coupling. Another object has been to compare the DKS and ZORA results and to check how the approximate method of accounting for the heavy-atom-on-light-atom (HALA) relativistic effect by means of scalar effective core potentials on heavy atoms performs in comparison with the more rigorous two- and four-component treatment.

A third-order approximation method for three-dimensional wheel-rail contact

NASA Astrophysics Data System (ADS)

Negretti, Daniele

2012-03-01

Multibody train analysis is used increasingly by railway operators whenever a reliable and time-efficient method to evaluate the contact between wheel and rail is needed; particularly, the wheel-rail contact is one of the most important aspects that affects a reliable and time-efficient vehicle dynamics computation. The focus of the approach proposed here is to carry out such tasks by means of online wheel-rail elastic contact detection. In order to improve efficiency and save time, a main analytical approach is used for the definition of wheel and rail surfaces as well as for contact detection, then a final numerical evaluation is used to locate contact. The final numerical procedure consists in finding the zeros of a nonlinear function in a single variable. The overall method is based on the approximation of the wheel surface, which does not influence the contact location significantly, as shown in the paper.

Selection of regularization parameter in total variation image restoration.

PubMed

Liao, Haiyong; Li, Fang; Ng, Michael K

2009-11-01

We consider and study total variation (TV) image restoration. In the literature there are several regularization parameter selection methods for Tikhonov regularization problems (e.g., the discrepancy principle and the generalized cross-validation method). However, to our knowledge, these selection methods have not been applied to TV regularization problems. The main aim of this paper is to develop a fast TV image restoration method with an automatic selection of the regularization parameter scheme to restore blurred and noisy images. The method exploits the generalized cross-validation (GCV) technique to determine inexpensively how much regularization to use in each restoration step. By updating the regularization parameter in each iteration, the restored image can be obtained. Our experimental results for testing different kinds of noise show that the visual quality and SNRs of images restored by the proposed method is promising. We also demonstrate that the method is efficient, as it can restore images of size 256 x 256 in approximately 20 s in the MATLAB computing environment.

Investigation of wall-bounded turbulence over regularly distributed roughness

NASA Astrophysics Data System (ADS)

Placidi, Marco; Ganapathisubramani, Bharathram

2012-11-01

The effects of regularly distributed roughness elements on the structure of a turbulent boundary layer are examined by performing a series of Planar (high resolution l+ ~ 30) and Stereoscopic Particle Image Velocimetry (PIV) experiments in a wind tunnel. An adequate description of how to best characterise a rough wall, especially one where the density of roughness elements is sparse, is yet to be developed. In this study, rough surfaces consisting of regularly and uniformly distributed LEGO® blocks are used. Twelve different patterns are adopted in order to systematically examine the effects of frontal solidity (λf, frontal area of the roughness elements per unit wall-parallel area) and plan solidity (λp, plan area of roughness elements per unit wall-parallel area), on the turbulence structure. The Karman number, Reτ , is approximately 4000 across the different cases. Spanwise 3D vector fields at two different wall-normal locations (top of the canopy and within the log-region) are also compared to examine the spanwise homogeneity of the flow across different surfaces. In the talk, a detailed analysis of mean and rms velocity profiles, Reynolds stresses, and quadrant decomposition for the different patterns will be presented.

Symmetric Positive 4th Order Tensors & Their Estimation from Diffusion Weighted MRI⋆

PubMed Central

Barmpoutis, Angelos; Jian, Bing; Vemuri, Baba C.; Shepherd, Timothy M.

2009-01-01

In Diffusion Weighted Magnetic Resonance Image (DW-MRI) processing a 2nd order tensor has been commonly used to approximate the diffusivity function at each lattice point of the DW-MRI data. It is now well known that this 2nd-order approximation fails to approximate complex local tissue structures, such as fibers crossings. In this paper we employ a 4th order symmetric positive semi-definite (PSD) tensor approximation to represent the diffusivity function and present a novel technique to estimate these tensors from the DW-MRI data guaranteeing the PSD property. There have been several published articles in literature on higher order tensor approximations of the diffusivity function but none of them guarantee the positive semi-definite constraint, which is a fundamental constraint since negative values of the diffusivity coefficients are not meaningful. In our methods, we parameterize the 4th order tensors as a sum of squares of quadratic forms by using the so called Gram matrix method from linear algebra and its relation to the Hilbert’s theorem on ternary quartics. This parametric representation is then used in a nonlinear-least squares formulation to estimate the PSD tensors of order 4 from the data. We define a metric for the higher-order tensors and employ it for regularization across the lattice. Finally, performance of this model is depicted on synthetic data as well as real DW-MRI from an isolated rat hippocampus. PMID:17633709

Generalized Bregman distances and convergence rates for non-convex regularization methods

NASA Astrophysics Data System (ADS)

Grasmair, Markus

2010-11-01

We generalize the notion of Bregman distance using concepts from abstract convexity in order to derive convergence rates for Tikhonov regularization with non-convex regularization terms. In particular, we study the non-convex regularization of linear operator equations on Hilbert spaces, showing that the conditions required for the application of the convergence rates results are strongly related to the standard range conditions from the convex case. Moreover, we consider the setting of sparse regularization, where we show that a rate of order δ1/p holds, if the regularization term has a slightly faster growth at zero than |t|p.

Slice regular functions of several Clifford variables

NASA Astrophysics Data System (ADS)

Ghiloni, R.; Perotti, A.

2012-11-01

We introduce a class of slice regular functions of several Clifford variables. Our approach to the definition of slice functions is based on the concept of stem functions of several variables and on the introduction on real Clifford algebras of a family of commuting complex structures. The class of slice regular functions include, in particular, the family of (ordered) polynomials in several Clifford variables. We prove some basic properties of slice and slice regular functions and give examples to illustrate this function theory. In particular, we give integral representation formulas for slice regular functions and a Hartogs type extension result.

Examining the accuracy of the infinite order sudden approximation using sensitivity analysis

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

Eno, L.; Rabitz, H.

1981-08-15

A method is developed for assessing the accuracy of scattering observables calculated within the framework of the infinite order sudden (IOS) approximation. In particular, we focus on the energy sudden assumption of the IOS method and our approach involves the determination of the sensitivity of the IOS scattering matrix S/sup IOS/ with respect to a parameter which reintroduces the internal energy operator h/sub 0/ into the IOS Hamiltonian. This procedure is an example of sensitivity analysis of missing model components (h/sub 0/ in this case) in the reference Hamiltonian. In contrast to simple first-order perturbation theory a finite result ismore » obtained for the effect of h/sub 0/ on S/sup IOS/. As an illustration, our method of analysis is applied to integral state-to-state cross sections for the scattering of an atom and rigid rotor. Results are generated within the He+H/sub 2/ system and a comparison is made between IOS and coupled states cross sections and the corresponding IOS sensitivities. It is found that the sensitivity coefficients are very useful indicators of the accuracy of the IOS results. Finally, further developments and applications are discussed.« less

Regularities in Spearman's Law of Diminishing Returns.

ERIC Educational Resources Information Center

Jensen, Arthur R.

2003-01-01

Examined the assumption that Spearman's law acts unsystematically and approximately uniformly for various subtests of cognitive ability in an IQ test battery when high- and low-ability IQ groups are selected. Data from national standardization samples for Wechsler adult and child IQ tests affirm regularities in Spearman's "Law of Diminishing…

Quantitative evaluation of first-order retardation corrections to the quarkonium spectrum

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

Brambilla, N.; Prosperi, G.M.

1992-08-01

We evaluate numerically first-order retardation corrections for some charmonium and bottomonium masses under the usual assumption of a Bethe-Salpeter purely scalar confinement kernel. The result depends strictly on the use of an additional effective potential to express the corrections (rather than to resort to Kato perturbation theory) and on an appropriate regularization prescription. The kernel has been chosen in order to reproduce in the instantaneous approximation a semirelativistic potential suggested by the Wilson loop method. The calculations are performed for two sets of parameters determined by fits in potential theory. The corrections turn out to be typically of the ordermore » of a few hundred MeV and depend on an additional scale parameter introduced in the regularization. A conjecture existing in the literature on the origin of the constant term in the potential is also discussed.« less

Analytic Regularity and Polynomial Approximation of Parametric and Stochastic Elliptic PDEs

DTIC Science & Technology

2010-05-31

Todor : Finite elements for elliptic problems with stochastic coefficients Comp. Meth. Appl. Mech. Engg. 194 (2005) 205-228. [14] R. Ghanem and P. Spanos...for elliptic partial differential equations with random input data SIAM J. Num. Anal. 46(2008), 2411–2442. [20] R. Todor , Robust eigenvalue computation...for smoothing operators, SIAM J. Num. Anal. 44(2006), 865– 878. [21] Ch. Schwab and R.A. Todor , Karhúnen-Loève Approximation of Random Fields by

High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory.

PubMed

Lima, Frederico A; Bjornsson, Ragnar; Weyhermüller, Thomas; Chandrasekaran, Perumalreddy; Glatzel, Pieter; Neese, Frank; DeBeer, Serena

2013-12-28

X-ray absorption spectroscopy (XAS) is a widely used experimental technique capable of selectively probing the local structure around an absorbing atomic species in molecules and materials. When applied to heavy elements, however, the quantitative interpretation can be challenging due to the intrinsic spectral broadening arising from the decrease in the core-hole lifetime. In this work we have used high-energy resolution fluorescence detected XAS (HERFD-XAS) to investigate a series of molybdenum complexes. The sharper spectral features obtained by HERFD-XAS measurements enable a clear assignment of the features present in the pre-edge region. Time-dependent density functional theory (TDDFT) has been previously shown to predict K-pre-edge XAS spectra of first row transition metal compounds with a reasonable degree of accuracy. Here we extend this approach to molybdenum K-edge HERFD-XAS and present the necessary calibration. Modern pure and hybrid functionals are utilized and relativistic effects are accounted for using either the Zeroth Order Regular Approximation (ZORA) or the second order Douglas-Kroll-Hess (DKH2) scalar relativistic approximations. We have found that both the predicted energies and intensities are in excellent agreement with experiment, independent of the functional used. The model chosen to account for relativistic effects also has little impact on the calculated spectra. This study provides an important calibration set for future applications of molybdenum HERFD-XAS to complex catalytic systems.

Improved phase shift approach to the energy correction of the infinite order sudden approximation

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

Chang, B.; Eno, L.; Rabitz, H.

1980-07-15

A new method is presented for obtaining energy corrections to the infinite order sudden (IOS) approximation by incorporating the effect of the internal molecular Hamiltonian into the IOS wave function. This is done by utilizing the JWKB approximation to transform the Schroedinger equation into a differential equation for the phase. It is found that the internal Hamiltonian generates an effective potential from which a new improved phase shift is obtained. This phase shift is then used in place of the IOS phase shift to generate new transition probabilities. As an illustration the resulting improved phase shift (IPS) method is appliedmore » to the Secrest--Johnson model for the collinear collision of an atom and diatom. In the vicinity of the sudden limit, the IPS method gives results for transition probabilities, P/sub n/..-->..n+..delta..n, in significantly better agreement with the 'exact' close coupling calculations than the IOS method, particularly for large ..delta..n. However, when the IOS results are not even qualitatively correct, the IPS method is unable to satisfactorily provide improvements.« less

Viscous damping and spring force calculation of regularly perforated MEMS microstructures in the Stokes' approximation

PubMed Central

Homentcovschi, Dorel; Murray, Bruce T.; Miles, Ronald N.

2013-01-01

There are a number of applications for microstructure devices consisting of a regular pattern of perforations, and many of these utilize fluid damping. For the analysis of viscous damping and for calculating the spring force in some cases, it is possible to take advantage of the regular hole pattern by assuming periodicity. Here a model is developed to determine these quantities based on the solution of the Stokes' equations for the air flow. Viscous damping is directly related to thermal-mechanical noise. As a result, the design of perforated microstructures with minimal viscous damping is of real practical importance. A method is developed to calculate the damping coefficient in microstructures with periodic perforations. The result can be used to minimize squeeze film damping. Since micromachined devices have finite dimensions, the periodic model for the perforated microstructure has to be associated with the calculation of some frame (edge) corrections. Analysis of the edge corrections has also been performed. Results from analytical formulas and numerical simulations match very well with published measured data. PMID:24058267

Viscous damping and spring force calculation of regularly perforated MEMS microstructures in the Stokes' approximation.

PubMed

Homentcovschi, Dorel; Murray, Bruce T; Miles, Ronald N

2013-10-15

There are a number of applications for microstructure devices consisting of a regular pattern of perforations, and many of these utilize fluid damping. For the analysis of viscous damping and for calculating the spring force in some cases, it is possible to take advantage of the regular hole pattern by assuming periodicity. Here a model is developed to determine these quantities based on the solution of the Stokes' equations for the air flow. Viscous damping is directly related to thermal-mechanical noise. As a result, the design of perforated microstructures with minimal viscous damping is of real practical importance. A method is developed to calculate the damping coefficient in microstructures with periodic perforations. The result can be used to minimize squeeze film damping. Since micromachined devices have finite dimensions, the periodic model for the perforated microstructure has to be associated with the calculation of some frame (edge) corrections. Analysis of the edge corrections has also been performed. Results from analytical formulas and numerical simulations match very well with published measured data.

Compact perturbative expressions for neutrino oscillations in matter

DOE PAGES

Denton, Peter B.; Minakata, Hisakazu; Parke, Stephen J.

2016-06-08

We further develop and extend a recent perturbative framework for neutrino oscillations in uniform matter density so that the resulting oscillation probabilities are accurate for the complete matter potential versus baseline divided by neutrino energy plane. This extension also gives the exact oscillation probabilities in vacuum for all values of baseline divided by neutrino energy. The expansion parameter used is related to the ratio of the solar to the atmosphericmore » $$\\Delta m^2$$ scales but with a unique choice of the atmospheric $$\\Delta m^2$$ such that certain first-order effects are taken into account in the zeroth-order Hamiltonian. Using a mixing matrix formulation, this framework has the exceptional feature that the neutrino oscillation probability in matter has the same structure as in vacuum, to all orders in the expansion parameter. It also contains all orders in the matter potential and $$\\sin\\theta_{13}$$. It facilitates immediate physical interpretation of the analytic results, and makes the expressions for the neutrino oscillation probabilities extremely compact and very accurate even at zeroth order in our perturbative expansion. Furthermore, the first and second order results are also given which improve the precision by approximately two or more orders of magnitude per perturbative order.« less

Semiclassical approximation of the Wheeler-DeWitt equation: arbitrary orders and the question of unitarity

NASA Astrophysics Data System (ADS)

Kiefer, Claus; Wichmann, David

2018-06-01

We extend the Born-Oppenheimer type of approximation scheme for the Wheeler-DeWitt equation of canonical quantum gravity to arbitrary orders in the inverse Planck mass squared. We discuss in detail the origin of unitarity violation in this scheme and show that unitarity can be restored by an appropriate modification which requires back reaction from matter onto the gravitational sector. In our analysis, we heavily rely on the gauge aspects of the standard Born-Oppenheimer scheme in molecular physics.

Asymptotic orderings and approximations of the Master kinetic equation for large hard spheres systems

NASA Astrophysics Data System (ADS)

Tessarotto, Massimo; Asci, Claudio

2017-05-01

In this paper the problem is posed of determining the physically-meaningful asymptotic orderings holding for the statistical description of a large N-body system of hard spheres, i.e., formed by N ≡1/ε ≫ 1 particles, which are allowed to undergo instantaneous and purely elastic unary, binary or multiple collisions. Starting point is the axiomatic treatment recently developed [Tessarotto et al., 2013-2016] and the related discovery of an exact kinetic equation realized by Master equation which advances in time the 1-body probability density function (PDF) for such a system. As shown in the paper the task involves introducing appropriate asymptotic orderings in terms of ε for all the physically-relevant parameters. The goal is that of identifying the relevant physically-meaningful asymptotic approximations applicable for the Master kinetic equation, together with their possible relationships with the Boltzmann and Enskog kinetic equations, and holding in appropriate asymptotic regimes. These correspond either to dilute or dense systems and are formed either by small-size or finite-size identical hard spheres, the distinction between the various cases depending on suitable asymptotic orderings in terms of ε.

How calibration and reference spectra affect the accuracy of absolute soft X-ray solar irradiance measured by the SDO/EVE/ESP during high solar activity

NASA Astrophysics Data System (ADS)

Didkovsky, Leonid; Wieman, Seth; Woods, Thomas

2016-10-01

The Extreme ultraviolet Spectrophotometer (ESP), one of the channels of SDO's Extreme ultraviolet Variability Experiment (EVE), measures solar irradiance in several EUV and soft x-ray (SXR) bands isolated using thin-film filters and a transmission diffraction grating, and includes a quad-diode detector positioned at the grating zeroth-order to observe in a wavelength band from about 0.1 to 7.0 nm. The quad diode signal also includes some contribution from shorter wavelength in the grating's first-order and the ratio of zeroth-order to first-order signal depends on both source geometry, and spectral distribution. For example, radiometric calibration of the ESP zeroth-order at the NIST SURF BL-2 with a near-parallel beam provides a different zeroth-to-first-order ratio than modeled for solar observations. The relative influence of "uncalibrated" first-order irradiance during solar observations is a function of the solar spectral irradiance and the locations of large Active Regions or solar flares. We discuss how the "uncalibrated" first-order "solar" component and the use of variable solar reference spectra affect determination of absolute SXR irradiance which currently may be significantly overestimated during high solar activity.

Regularized solution of a nonlinear problem in electromagnetic sounding

NASA Astrophysics Data System (ADS)

Piero Deidda, Gian; Fenu, Caterina; Rodriguez, Giuseppe

2014-12-01

Non destructive investigation of soil properties is crucial when trying to identify inhomogeneities in the ground or the presence of conductive substances. This kind of survey can be addressed with the aid of electromagnetic induction measurements taken with a ground conductivity meter. In this paper, starting from electromagnetic data collected by this device, we reconstruct the electrical conductivity of the soil with respect to depth, with the aid of a regularized damped Gauss-Newton method. We propose an inversion method based on the low-rank approximation of the Jacobian of the function to be inverted, for which we develop exact analytical formulae. The algorithm chooses a relaxation parameter in order to ensure the positivity of the solution and implements various methods for the automatic estimation of the regularization parameter. This leads to a fast and reliable algorithm, which is tested on numerical experiments both on synthetic data sets and on field data. The results show that the algorithm produces reasonable solutions in the case of synthetic data sets, even in the presence of a noise level consistent with real applications, and yields results that are compatible with those obtained by electrical resistivity tomography in the case of field data. Research supported in part by Regione Sardegna grant CRP2_686.

A combined reconstruction-classification method for diffuse optical tomography.

PubMed

Hiltunen, P; Prince, S J D; Arridge, S

2009-11-07

We present a combined classification and reconstruction algorithm for diffuse optical tomography (DOT). DOT is a nonlinear ill-posed inverse problem. Therefore, some regularization is needed. We present a mixture of Gaussians prior, which regularizes the DOT reconstruction step. During each iteration, the parameters of a mixture model are estimated. These associate each reconstructed pixel with one of several classes based on the current estimate of the optical parameters. This classification is exploited to form a new prior distribution to regularize the reconstruction step and update the optical parameters. The algorithm can be described as an iteration between an optimization scheme with zeroth-order variable mean and variance Tikhonov regularization and an expectation-maximization scheme for estimation of the model parameters. We describe the algorithm in a general Bayesian framework. Results from simulated test cases and phantom measurements show that the algorithm enhances the contrast of the reconstructed images with good spatial accuracy. The probabilistic classifications of each image contain only a few misclassified pixels.

Marangoni bubble motion in zero gravity. [Lewis zero gravity drop tower

NASA Technical Reports Server (NTRS)

Thompson, R. L.; Dewitt, K. J.

1979-01-01

It was shown experimentally that the Marangoni phenomenon is a primary mechanism for the movement of a gas bubble in a nonisothermal liquid in a low gravity environment. A mathematical model consisting of the Navier-Stokes and thermal energy equations, together with the appropriate boundary conditions for both media, is presented. Parameter perturbation theory is used to solve this boundary value problem; the expansion parameter is the Marangoni number. The zeroth, first, and second order approximations for the velocity, temperature and pressure distributions in the liquid and in the bubble, and the deformation and terminal velocity of the bubble are determined. Experimental zero gravity data for a nitrogen bubble in ethylene glycol, ethanol, and silicone oil subjected to a linear temperature gradient were obtained using the NASA Lewis zero gravity drop tower. Comparison of the zeroth order analytical results for the bubble terminal velocity showed good agreement with the experimental measurements. The first and second order solutions for the bubble deformation and bubble terminal velocity are valid for liquids having Prandtl numbers on the order of one, but there is a lack of appropriate data to test the theory fully.

A highly ordered mesostructured material containing regularly distributed phenols: preparation and characterization at a molecular level through ultra-fast magic angle spinning proton NMR spectroscopy.

PubMed

Roussey, Arthur; Gajan, David; Maishal, Tarun K; Mukerjee, Anhurada; Veyre, Laurent; Lesage, Anne; Emsley, Lyndon; Copéret, Christophe; Thieuleux, Chloé

2011-03-14

Highly ordered organic-inorganic mesostructured material containing regularly distributed phenols is synthesized by combining a direct synthesis of the functional material and a protection-deprotection strategy and characterized at a molecular level through ultra-fast magic angle spinning proton NMR spectroscopy.

Application of thermodynamics to silicate crystalline solutions

NASA Technical Reports Server (NTRS)

Saxena, S. K.

1972-01-01

A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.

Revisiting HgCl 2: A solution- and solid-state 199Hg NMR and ZORA-DFT computational study

NASA Astrophysics Data System (ADS)

Taylor, R. E.; Carver, Colin T.; Larsen, Ross E.; Dmitrenko, Olga; Bai, Shi; Dybowski, C.

2009-07-01

The 199Hg chemical-shift tensor of solid HgCl 2 was determined from spectra of polycrystalline materials, using static and magic-angle spinning (MAS) techniques at multiple spinning frequencies and field strengths. The chemical-shift tensor of solid HgCl 2 is axially symmetric ( η = 0) within experimental error. The 199Hg chemical-shift anisotropy (CSA) of HgCl 2 in a frozen solution in dimethylsulfoxide (DMSO) is significantly smaller than that of the solid, implying that the local electronic structure in the solid is different from that of the material in solution. The experimental chemical-shift results (solution and solid state) are compared with those predicted by density functional theory (DFT) calculations using the zeroth-order regular approximation (ZORA) to account for relativistic effects. 199Hg spin-lattice relaxation of HgCl 2 dissolved in DMSO is dominated by a CSA mechanism, but a second contribution to relaxation arises from ligand exchange. Relaxation in the solid state is independent of temperature, suggesting relaxation by paramagnetic impurities or defects.

The role of relativity in the optical response of gold within the time-dependent current-density-functional theory.

PubMed

Romaniello, P; de Boeij, P L

2005-04-22

We included relativistic effects in the formulation of the time-dependent current-density-functional theory for the calculation of linear response properties of metals [P. Romaniello and P. L. de Boeij, Phys. Rev. B (to be published)]. We treat the dominant scalar-relativistic effects using the zeroth-order regular approximation in the ground-state density-functional theory calculations, as well as in the time-dependent response calculations. The results for the dielectric function of gold calculated in the spectral range of 0-10 eV are compared with experimental data reported in literature and recent ellipsometric measurements. As well known, relativistic effects strongly influence the color of gold. We find that the onset of interband transitions is shifted from around 3.5 eV, obtained in a nonrelativistic calculation, to around 1.9 eV when relativity is included. With the inclusion of the scalar-relativistic effects there is an overall improvement of both real and imaginary parts of the dielectric function over the nonrelativistic ones. Nevertheless some important features in the absorption spectrum are not well reproduced, but can be explained in terms of spin-orbit coupling effects. The remaining deviations are attributed to the underestimation of the interband gap (5d-6sp band gap) in the local-density approximation and to the use of the adiabatic local-density approximation in the response calculation.

Wavelet-promoted sparsity for non-invasive reconstruction of electrical activity of the heart.

PubMed

Cluitmans, Matthijs; Karel, Joël; Bonizzi, Pietro; Volders, Paul; Westra, Ronald; Peeters, Ralf

2018-05-12

We investigated a novel sparsity-based regularization method in the wavelet domain of the inverse problem of electrocardiography that aims at preserving the spatiotemporal characteristics of heart-surface potentials. In three normal, anesthetized dogs, electrodes were implanted around the epicardium and body-surface electrodes were attached to the torso. Potential recordings were obtained simultaneously on the body surface and on the epicardium. A CT scan was used to digitize a homogeneous geometry which consisted of the body-surface electrodes and the epicardial surface. A novel multitask elastic-net-based method was introduced to regularize the ill-posed inverse problem. The method simultaneously pursues a sparse wavelet representation in time-frequency and exploits correlations in space. Performance was assessed in terms of quality of reconstructed epicardial potentials, estimated activation and recovery time, and estimated locations of pacing, and compared with performance of Tikhonov zeroth-order regularization. Results in the wavelet domain obtained higher sparsity than those in the time domain. Epicardial potentials were non-invasively reconstructed with higher accuracy than with Tikhonov zeroth-order regularization (p < 0.05), and recovery times were improved (p < 0.05). No significant improvement was found in terms of activation times and localization of origin of pacing. Next to improved estimation of recovery isochrones, which is important when assessing substrate for cardiac arrhythmias, this novel technique opens potentially powerful opportunities for clinical application, by allowing to choose wavelet bases that are optimized for specific clinical questions. Graphical Abstract The inverse problem of electrocardiography is to reconstruct heart-surface potentials from recorded bodysurface electrocardiograms (ECGs) and a torso-heart geometry. However, it is ill-posed and solving it requires additional constraints for regularization. We introduce a

Theoretical L-shell Coster-Kronig energies 11 or equal to z or equal to 103

NASA Technical Reports Server (NTRS)

Chen, M. H.; Crasemann, B.; Huang, K. N.; Aoyagi, M.; Mark, H.

1976-01-01

Relativistic relaxed-orbital calculations of L-shell Coster-Kronig transition energies have been performed for all possible transitions in atoms with atomic numbers. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order approximation to the local approximation was thus included. Quantum-electrodynamic corrections were made. Each transition energy was computed as the difference between results of separate self-consistent-field calculations for the initial, singly ionized state and the final two-hole state. The following quantities are listed: total transition energy, 'electric' (Dirac-Hartree-Fock-Slater) contribution, magnetic and retardation contributions, and contributions due to vacuum polarization and self energy.

Regularity Aspects in Inverse Musculoskeletal Biomechanics

NASA Astrophysics Data System (ADS)

Lund, Marie; Stâhl, Fredrik; Gulliksson, Mârten

2008-09-01

Inverse simulations of musculoskeletal models computes the internal forces such as muscle and joint reaction forces, which are hard to measure, using the more easily measured motion and external forces as input data. Because of the difficulties of measuring muscle forces and joint reactions, simulations are hard to validate. One way of reducing errors for the simulations is to ensure that the mathematical problem is well-posed. This paper presents a study of regularity aspects for an inverse simulation method, often called forward dynamics or dynamical optimization, that takes into account both measurement errors and muscle dynamics. Regularity is examined for a test problem around the optimum using the approximated quadratic problem. The results shows improved rank by including a regularization term in the objective that handles the mechanical over-determinancy. Using the 3-element Hill muscle model the chosen regularization term is the norm of the activation. To make the problem full-rank only the excitation bounds should be included in the constraints. However, this results in small negative values of the activation which indicates that muscles are pushing and not pulling, which is unrealistic but the error maybe small enough to be accepted for specific applications. These results are a start to ensure better results of inverse musculoskeletal simulations from a numerical point of view.

Fluorescence molecular tomography reconstruction via discrete cosine transform-based regularization

NASA Astrophysics Data System (ADS)

Shi, Junwei; Liu, Fei; Zhang, Jiulou; Luo, Jianwen; Bai, Jing

2015-05-01

Fluorescence molecular tomography (FMT) as a noninvasive imaging modality has been widely used for biomedical preclinical applications. However, FMT reconstruction suffers from severe ill-posedness, especially when a limited number of projections are used. In order to improve the quality of FMT reconstruction results, a discrete cosine transform (DCT) based reweighted L1-norm regularization algorithm is proposed. In each iteration of the reconstruction process, different reweighted regularization parameters are adaptively assigned according to the values of DCT coefficients to suppress the reconstruction noise. In addition, the permission region of the reconstructed fluorophores is adaptively constructed to increase the convergence speed. In order to evaluate the performance of the proposed algorithm, physical phantom and in vivo mouse experiments with a limited number of projections are carried out. For comparison, different L1-norm regularization strategies are employed. By quantifying the signal-to-noise ratio (SNR) of the reconstruction results in the phantom and in vivo mouse experiments with four projections, the proposed DCT-based reweighted L1-norm regularization shows higher SNR than other L1-norm regularizations employed in this work.

Piece-wise quadratic approximations of arbitrary error functions for fast and robust machine learning.

PubMed

Gorban, A N; Mirkes, E M; Zinovyev, A

2016-12-01

Most of machine learning approaches have stemmed from the application of minimizing the mean squared distance principle, based on the computationally efficient quadratic optimization methods. However, when faced with high-dimensional and noisy data, the quadratic error functionals demonstrated many weaknesses including high sensitivity to contaminating factors and dimensionality curse. Therefore, a lot of recent applications in machine learning exploited properties of non-quadratic error functionals based on L 1 norm or even sub-linear potentials corresponding to quasinorms L p (0approximation algorithms (k-means, principal components, principal manifolds and graphs, regularized and sparse regression), based on piece-wise quadratic error potentials of subquadratic growth (PQSQ potentials). We develop a new and universal framework to minimize arbitrary sub-quadratic error potentials using an algorithm with guaranteed fast convergence to the local or global error minimum. The theory of PQSQ potentials is based on the notion of the cone of minorant functions, and represents a natural approximation formalism based on the application of min-plus algebra. The approach can be applied in most of existing machine learning methods, including methods of data approximation and regularized and sparse regression, leading to the improvement in the computational cost/accuracy trade-off. We demonstrate that on synthetic and real-life datasets PQSQ-based machine learning methods achieve orders of magnitude faster computational performance than the corresponding state-of-the-art methods, having similar or better approximation accuracy. Copyright © 2016 Elsevier Ltd. All rights reserved.

Optimal feedback control infinite dimensional parabolic evolution systems: Approximation techniques

NASA Technical Reports Server (NTRS)

Banks, H. T.; Wang, C.

1989-01-01

A general approximation framework is discussed for computation of optimal feedback controls in linear quadratic regular problems for nonautonomous parabolic distributed parameter systems. This is done in the context of a theoretical framework using general evolution systems in infinite dimensional Hilbert spaces. Conditions are discussed for preservation under approximation of stabilizability and detectability hypotheses on the infinite dimensional system. The special case of periodic systems is also treated.

Applied Routh approximation

NASA Technical Reports Server (NTRS)

Merrill, W. C.

1978-01-01

The Routh approximation technique for reducing the complexity of system models was applied in the frequency domain to a 16th order, state variable model of the F100 engine and to a 43d order, transfer function model of a launch vehicle boost pump pressure regulator. The results motivate extending the frequency domain formulation of the Routh method to the time domain in order to handle the state variable formulation directly. The time domain formulation was derived and a characterization that specifies all possible Routh similarity transformations was given. The characterization was computed by solving two eigenvalue-eigenvector problems. The application of the time domain Routh technique to the state variable engine model is described, and some results are given. Additional computational problems are discussed, including an optimization procedure that can improve the approximation accuracy by taking advantage of the transformation characterization.

A Unified Approach for Solving Nonlinear Regular Perturbation Problems

ERIC Educational Resources Information Center

Khuri, S. A.

2008-01-01

This article describes a simple alternative unified method of solving nonlinear regular perturbation problems. The procedure is based upon the manipulation of Taylor's approximation for the expansion of the nonlinear term in the perturbed equation. An essential feature of this technique is the relative simplicity used and the associated unified…

Bypassing the Limits of Ll Regularization: Convex Sparse Signal Processing Using Non-Convex Regularization

NASA Astrophysics Data System (ADS)

Parekh, Ankit

Sparsity has become the basis of some important signal processing methods over the last ten years. Many signal processing problems (e.g., denoising, deconvolution, non-linear component analysis) can be expressed as inverse problems. Sparsity is invoked through the formulation of an inverse problem with suitably designed regularization terms. The regularization terms alone encode sparsity into the problem formulation. Often, the ℓ1 norm is used to induce sparsity, so much so that ℓ1 regularization is considered to be `modern least-squares'. The use of ℓ1 norm, as a sparsity-inducing regularizer, leads to a convex optimization problem, which has several benefits: the absence of extraneous local minima, well developed theory of globally convergent algorithms, even for large-scale problems. Convex regularization via the ℓ1 norm, however, tends to under-estimate the non-zero values of sparse signals. In order to estimate the non-zero values more accurately, non-convex regularization is often favored over convex regularization. However, non-convex regularization generally leads to non-convex optimization, which suffers from numerous issues: convergence may be guaranteed to only a stationary point, problem specific parameters may be difficult to set, and the solution is sensitive to the initialization of the algorithm. The first part of this thesis is aimed toward combining the benefits of non-convex regularization and convex optimization to estimate sparse signals more effectively. To this end, we propose to use parameterized non-convex regularizers with designated non-convexity and provide a range for the non-convex parameter so as to ensure that the objective function is strictly convex. By ensuring convexity of the objective function (sum of data-fidelity and non-convex regularizer), we can make use of a wide variety of convex optimization algorithms to obtain the unique global minimum reliably. The second part of this thesis proposes a non-linear signal

Combination of the pair density approximation and the Takahashi–Imada approximation for path integral Monte Carlo simulations

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

Zillich, Robert E., E-mail: robert.zillich@jku.at

2015-11-15

We construct an accurate imaginary time propagator for path integral Monte Carlo simulations for heterogeneous systems consisting of a mixture of atoms and molecules. We combine the pair density approximation, which is highly accurate but feasible only for the isotropic interactions between atoms, with the Takahashi–Imada approximation for general interactions. We present finite temperature simulations results for energy and structure of molecules–helium clusters X{sup 4}He{sub 20} (X=HCCH and LiH) which show a marked improvement over the Trotter approximation which has a 2nd-order time step bias. We show that the 4th-order corrections of the Takahashi–Imada approximation can also be applied perturbativelymore » to a 2nd-order simulation.« less

Relativistic effects on x-ray structure factors

NASA Astrophysics Data System (ADS)

Batke, Kilian; Eickerling, Georg

2016-04-01

Today, combined experimental and theoretical charge density studies based on quantum chemical calculations and x-ray diffraction experiments allow for the investigation of the topology of the electron density at subatomic resolution. When studying compounds containing transition metal elements, relativistic effects need to be adequately taken into account not only in quantum chemical calculations of the total electron density ρ ({r}), but also for the atomic scattering factors employed to extract ρ ({r}) from experimental x-ray diffraction data. In the present study, we investigate the magnitude of relativistic effects on x-ray structure factors and for this purpose {F}({{r}}*) have been calculated for the model systems M(C2H2) (M = Ni, Pd, Pt) from four-component molecular wave functions. Relativistic effects are then discussed by a comparison to structure factors obtained from a non-relativistic reference and different quasi-relativistic approximations. We show, that the overall effects of relativity on the structure factors on average amount to 0.81%, 1.51% and 2.78% for the three model systems under investigation, but that for individual reflections or reflection series the effects can be orders of magnitude larger. Employing the quasi-relativistic Douglas-Kroll-Hess second order or the zeroth order regular approximation Hamiltonian takes these effects into account to a large extend, reducing the differences between the (quasi-)relativistic and the non-relativistic result by one order of magnitude. In order to further determine the experimental significance of the results, the magnitude of the relativistic effects is compared to the changes of the model structure factor data when charge transfer and chemical bonding is taken into account by a multipolar expansion of {F}({{r}}*).

Applicability of regular particle shapes in light scattering calculations for atmospheric ice particles.

PubMed

Macke, A; Mishchenko, M I

1996-07-20

We ascertain the usefulness of simple ice particle geometries for modeling the intensity distribution of light scattering by atmospheric ice particles. To this end, similarities and differences in light scattering by axis-equivalent, regular and distorted hexagonal cylindric, ellipsoidal, and circular cylindric ice particles are reported. All the results pertain to particles with sizes much larger than a wavelength and are based on a geometrical optics approximation. At a nonabsorbing wavelength of 0.55 µm, ellipsoids (circular cylinders) have a much (slightly) larger asymmetry parameter g than regular hexagonal cylinders. However, our computations show that only random distortion of the crystal shape leads to a closer agreement with g values as small as 0.7 as derived from some remote-sensing data analysis. This may suggest that scattering by regular particle shapes is not necessarily representative of real atmospheric ice crystals at nonabsorbing wavelengths. On the other hand, if real ice particles happen to be hexagonal, they may be approximated by circular cylinders at absorbing wavelengths.

Homogenization of one-dimensional draining through heterogeneous porous media including higher-order approximations

NASA Astrophysics Data System (ADS)

Anderson, Daniel M.; McLaughlin, Richard M.; Miller, Cass T.

2018-02-01

We examine a mathematical model of one-dimensional draining of a fluid through a periodically-layered porous medium. A porous medium, initially saturated with a fluid of a high density is assumed to drain out the bottom of the porous medium with a second lighter fluid replacing the draining fluid. We assume that the draining layer is sufficiently dense that the dynamics of the lighter fluid can be neglected with respect to the dynamics of the heavier draining fluid and that the height of the draining fluid, represented as a free boundary in the model, evolves in time. In this context, we neglect interfacial tension effects at the boundary between the two fluids. We show that this problem admits an exact solution. Our primary objective is to develop a homogenization theory in which we find not only leading-order, or effective, trends but also capture higher-order corrections to these effective draining rates. The approximate solution obtained by this homogenization theory is compared to the exact solution for two cases: (1) the permeability of the porous medium varies smoothly but rapidly and (2) the permeability varies as a piecewise constant function representing discrete layers of alternating high/low permeability. In both cases we are able to show that the corrections in the homogenization theory accurately predict the position of the free boundary moving through the porous medium.

Spatially adaptive bases in wavelet-based coding of semi-regular meshes

NASA Astrophysics Data System (ADS)

Denis, Leon; Florea, Ruxandra; Munteanu, Adrian; Schelkens, Peter

2010-05-01

In this paper we present a wavelet-based coding approach for semi-regular meshes, which spatially adapts the employed wavelet basis in the wavelet transformation of the mesh. The spatially-adaptive nature of the transform requires additional information to be stored in the bit-stream in order to allow the reconstruction of the transformed mesh at the decoder side. In order to limit this overhead, the mesh is first segmented into regions of approximately equal size. For each spatial region, a predictor is selected in a rate-distortion optimal manner by using a Lagrangian rate-distortion optimization technique. When compared against the classical wavelet transform employing the butterfly subdivision filter, experiments reveal that the proposed spatially-adaptive wavelet transform significantly decreases the energy of the wavelet coefficients for all subbands. Preliminary results show also that employing the proposed transform for the lowest-resolution subband systematically yields improved compression performance at low-to-medium bit-rates. For the Venus and Rabbit test models the compression improvements add up to 1.47 dB and 0.95 dB, respectively.

Novel Hyperspectral Anomaly Detection Methods Based on Unsupervised Nearest Regularized Subspace

NASA Astrophysics Data System (ADS)

Hou, Z.; Chen, Y.; Tan, K.; Du, P.

2018-04-01

Anomaly detection has been of great interest in hyperspectral imagery analysis. Most conventional anomaly detectors merely take advantage of spectral and spatial information within neighboring pixels. In this paper, two methods of Unsupervised Nearest Regularized Subspace-based with Outlier Removal Anomaly Detector (UNRSORAD) and Local Summation UNRSORAD (LSUNRSORAD) are proposed, which are based on the concept that each pixel in background can be approximately represented by its spatial neighborhoods, while anomalies cannot. Using a dual window, an approximation of each testing pixel is a representation of surrounding data via a linear combination. The existence of outliers in the dual window will affect detection accuracy. Proposed detectors remove outlier pixels that are significantly different from majority of pixels. In order to make full use of various local spatial distributions information with the neighboring pixels of the pixels under test, we take the local summation dual-window sliding strategy. The residual image is constituted by subtracting the predicted background from the original hyperspectral imagery, and anomalies can be detected in the residual image. Experimental results show that the proposed methods have greatly improved the detection accuracy compared with other traditional detection method.

Dense motion estimation using regularization constraints on local parametric models.

PubMed

Patras, Ioannis; Worring, Marcel; van den Boomgaard, Rein

2004-11-01

This paper presents a method for dense optical flow estimation in which the motion field within patches that result from an initial intensity segmentation is parametrized with models of different order. We propose a novel formulation which introduces regularization constraints between the model parameters of neighboring patches. In this way, we provide the additional constraints for very small patches and for patches whose intensity variation cannot sufficiently constrain the estimation of their motion parameters. In order to preserve motion discontinuities, we use robust functions as a regularization mean. We adopt a three-frame approach and control the balance between the backward and forward constraints by a real-valued direction field on which regularization constraints are applied. An iterative deterministic relaxation method is employed in order to solve the corresponding optimization problem. Experimental results show that the proposed method deals successfully with motions large in magnitude, motion discontinuities, and produces accurate piecewise-smooth motion fields.

Explicit B-spline regularization in diffeomorphic image registration

PubMed Central

Tustison, Nicholas J.; Avants, Brian B.

2013-01-01

Diffeomorphic mappings are central to image registration due largely to their topological properties and success in providing biologically plausible solutions to deformation and morphological estimation problems. Popular diffeomorphic image registration algorithms include those characterized by time-varying and constant velocity fields, and symmetrical considerations. Prior information in the form of regularization is used to enforce transform plausibility taking the form of physics-based constraints or through some approximation thereof, e.g., Gaussian smoothing of the vector fields [a la Thirion's Demons (Thirion, 1998)]. In the context of the original Demons' framework, the so-called directly manipulated free-form deformation (DMFFD) (Tustison et al., 2009) can be viewed as a smoothing alternative in which explicit regularization is achieved through fast B-spline approximation. This characterization can be used to provide B-spline “flavored” diffeomorphic image registration solutions with several advantages. Implementation is open source and available through the Insight Toolkit and our Advanced Normalization Tools (ANTs) repository. A thorough comparative evaluation with the well-known SyN algorithm (Avants et al., 2008), implemented within the same framework, and its B-spline analog is performed using open labeled brain data and open source evaluation tools. PMID:24409140

Analysis of eccentric annular incompressible seals. II - Effects of eccentricity on rotordynamic coefficients

NASA Technical Reports Server (NTRS)

Nelson, C. C.; Nguyen, D. T.

1987-01-01

A new analysis procedure has been presented which solves for the flow variables of an annular pressure seal in which the rotor has a large static displacement (eccentricity) from the centered position. The present paper incorporates the solutions to investigate the effect of eccentricity on the rotordynamic coefficients. The analysis begins with a set of governing equations based on a turbulent bulk-flow model and Moody's friction factor equation. Perturbations of the flow variables yields a set of zeroth- and first-order equations. After integration of the zeroth-order equations, the resulting zeroth-order flow variables are used as input in the solution of the first-order equations. Further integration of the first order pressures yields the eccentric rotordynamic coefficients. The results from this procedure compare well with available experimental and theoretical data, with accuracy just as good or slightly better than the predictions based on a finite-element model.

Convergent sum of gradient expansion of the kinetic-energy density functional up to the sixth order term using Padé approximant

NASA Astrophysics Data System (ADS)

Sergeev, A.; Alharbi, F. H.; Jovanovic, R.; Kais, S.

2016-04-01

The gradient expansion of the kinetic energy density functional, when applied to atoms or finite systems, usually grossly overestimates the energy in the fourth order and generally diverges in the sixth order. We avoid the divergence of the integral by replacing the asymptotic series including the sixth order term in the integrand by a rational function. Padé approximants show moderate improvements in accuracy in comparison with partial sums of the series. The results are discussed for atoms and Hooke’s law model for two-electron atoms.

The Physics of Ultracold Sr2 Molecules: Optical Production and Precision Measurement

DTIC Science & Technology

2013-01-01

causing stimulated emission. The wavelength of the feedback light is determined by the angle of the feedback mirror . The zeroth order is the output from...with representative mirror , diffraction grating and diode housing (right). . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 2.14 Schematic of...of the feedback light is determined by the angle of the feedback mirror . The zeroth order is the output from the ECDL. . . . . . . . . . . . 23 2.15

Higher-order Fourier analysis over finite fields and applications

NASA Astrophysics Data System (ADS)

Hatami, Pooya

Higher-order Fourier analysis is a powerful tool in the study of problems in additive and extremal combinatorics, for instance the study of arithmetic progressions in primes, where the traditional Fourier analysis comes short. In recent years, higher-order Fourier analysis has found multiple applications in computer science in fields such as property testing and coding theory. In this thesis, we develop new tools within this theory with several new applications such as a characterization theorem in algebraic property testing. One of our main contributions is a strong near-equidistribution result for regular collections of polynomials. The densities of small linear structures in subsets of Abelian groups can be expressed as certain analytic averages involving linear forms. Higher-order Fourier analysis examines such averages by approximating the indicator function of a subset by a function of bounded number of polynomials. Then, to approximate the average, it suffices to know the joint distribution of the polynomials applied to the linear forms. We prove a near-equidistribution theorem that describes these distributions for the group F(n/p) when p is a fixed prime. This fundamental fact was previously known only under various extra assumptions about the linear forms or the field size. We use this near-equidistribution theorem to settle a conjecture of Gowers and Wolf on the true complexity of systems of linear forms. Our next application is towards a characterization of testable algebraic properties. We prove that every locally characterized affine-invariant property of functions f : F(n/p) → R with n∈ N, is testable. In fact, we prove that any such property P is proximity-obliviously testable. More generally, we show that any affine-invariant property that is closed under subspace restrictions and has "bounded complexity" is testable. We also prove that any property that can be described as the property of decomposing into a known structure of low

Task-Driven Optimization of Fluence Field and Regularization for Model-Based Iterative Reconstruction in Computed Tomography.

PubMed

Gang, Grace J; Siewerdsen, Jeffrey H; Stayman, J Webster

2017-12-01

This paper presents a joint optimization of dynamic fluence field modulation (FFM) and regularization in quadratic penalized-likelihood reconstruction that maximizes a task-based imaging performance metric. We adopted a task-driven imaging framework for prospective designs of the imaging parameters. A maxi-min objective function was adopted to maximize the minimum detectability index ( ) throughout the image. The optimization algorithm alternates between FFM (represented by low-dimensional basis functions) and local regularization (including the regularization strength and directional penalty weights). The task-driven approach was compared with three FFM strategies commonly proposed for FBP reconstruction (as well as a task-driven TCM strategy) for a discrimination task in an abdomen phantom. The task-driven FFM assigned more fluence to less attenuating anteroposterior views and yielded approximately constant fluence behind the object. The optimal regularization was almost uniform throughout image. Furthermore, the task-driven FFM strategy redistribute fluence across detector elements in order to prescribe more fluence to the more attenuating central region of the phantom. Compared with all strategies, the task-driven FFM strategy not only improved minimum by at least 17.8%, but yielded higher over a large area inside the object. The optimal FFM was highly dependent on the amount of regularization, indicating the importance of a joint optimization. Sample reconstructions of simulated data generally support the performance estimates based on computed . The improvements in detectability show the potential of the task-driven imaging framework to improve imaging performance at a fixed dose, or, equivalently, to provide a similar level of performance at reduced dose.

Selection of regularization parameter for l1-regularized damage detection

NASA Astrophysics Data System (ADS)

Hou, Rongrong; Xia, Yong; Bao, Yuequan; Zhou, Xiaoqing

2018-06-01

The l1 regularization technique has been developed for structural health monitoring and damage detection through employing the sparsity condition of structural damage. The regularization parameter, which controls the trade-off between data fidelity and solution size of the regularization problem, exerts a crucial effect on the solution. However, the l1 regularization problem has no closed-form solution, and the regularization parameter is usually selected by experience. This study proposes two strategies of selecting the regularization parameter for the l1-regularized damage detection problem. The first method utilizes the residual and solution norms of the optimization problem and ensures that they are both small. The other method is based on the discrepancy principle, which requires that the variance of the discrepancy between the calculated and measured responses is close to the variance of the measurement noise. The two methods are applied to a cantilever beam and a three-story frame. A range of the regularization parameter, rather than one single value, can be determined. When the regularization parameter in this range is selected, the damage can be accurately identified even for multiple damage scenarios. This range also indicates the sensitivity degree of the damage identification problem to the regularization parameter.

Structural characterization of the packings of granular regular polygons.

PubMed

Wang, Chuncheng; Dong, Kejun; Yu, Aibing

2015-12-01

By using a recently developed method for discrete modeling of nonspherical particles, we simulate the random packings of granular regular polygons with three to 11 edges under gravity. The effects of shape and friction on the packing structures are investigated by various structural parameters, including packing fraction, the radial distribution function, coordination number, Voronoi tessellation, and bond-orientational order. We find that packing fraction is generally higher for geometrically nonfrustrated regular polygons, and can be increased by the increase of edge number and decrease of friction. The changes of packing fraction are linked with those of the microstructures, such as the variations of the translational and orientational orders and local configurations. In particular, the free areas of Voronoi tessellations (which are related to local packing fractions) can be described by log-normal distributions for all polygons. The quantitative analyses establish a clearer picture for the packings of regular polygons.

Regularization techniques on least squares non-uniform fast Fourier transform.

PubMed

Gibiino, Fabio; Positano, Vincenzo; Landini, Luigi; Santarelli, Maria Filomena

2013-05-01

Non-Cartesian acquisition strategies are widely used in MRI to dramatically reduce the acquisition time while at the same time preserving the image quality. Among non-Cartesian reconstruction methods, the least squares non-uniform fast Fourier transform (LS_NUFFT) is a gridding method based on a local data interpolation kernel that minimizes the worst-case approximation error. The interpolator is chosen using a pseudoinverse matrix. As the size of the interpolation kernel increases, the inversion problem may become ill-conditioned. Regularization methods can be adopted to solve this issue. In this study, we compared three regularization methods applied to LS_NUFFT. We used truncated singular value decomposition (TSVD), Tikhonov regularization and L₁-regularization. Reconstruction performance was evaluated using the direct summation method as reference on both simulated and experimental data. We also evaluated the processing time required to calculate the interpolator. First, we defined the value of the interpolator size after which regularization is needed. Above this value, TSVD obtained the best reconstruction. However, for large interpolator size, the processing time becomes an important constraint, so an appropriate compromise between processing time and reconstruction quality should be adopted. Copyright © 2013 John Wiley & Sons, Ltd.

Fringe Field Effects on Bending Magnets, Derived for TRANSPORT/TURTLE

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

Molloy, Riley; Blitz, Sam

2013-08-05

A realistic magnetic dipole has complex effects on a charged particle near the entrance and exit of the magnet, even with a constant and uniform magnetic field deep within the interior of the magnet. To satisfy Maxwell's equations, the field lines near either end of a realistic magnet are significantly more complicated, yielding non-trivial forces. The effects of this fringe field are calculated to first order, applying both the paraxial and thin lens approximations. We find that, in addition to zeroth order effects, the position of a particle directly impacts the forces in the horizontal and vertical directions.

Mean dyadic Green's function for a two layer random medium

NASA Technical Reports Server (NTRS)

Zuniga, M. A.

1981-01-01

The mean dyadic Green's function for a two-layer random medium with arbitrary three-dimensional correlation functions has been obtained with the zeroth-order solution to the Dyson equation by applying the nonlinear approximation. The propagation of the coherent wave in the random medium is similar to that in an anisotropic medium with different propagation constants for the characteristic transverse electric and transverse magnetic polarizations. In the limit of a laminar structure, two propagation constants for each polarization are found to exist.

Controlling coherence using the internal structure of hard pi pulses.

PubMed

Dong, Yanqun; Ramos, R G; Li, Dale; Barrett, S E

2008-06-20

The tiny difference between hard pi pulses and their delta-function approximation can be exploited to control coherence. Variants on the magic echo that work despite a large spread in resonance offsets are demonstrated using the zeroth- and first-order average Hamiltonian terms, for 13C NMR in 60C. The 29Si NMR linewidth of silicon has been reduced by a factor of about 70,00 using this approach, which also has potential applications in magnetic resonance microscopy and imaging of solids.

WEAK GALERKIN METHODS FOR SECOND ORDER ELLIPTIC INTERFACE PROBLEMS

PubMed Central

MU, LIN; WANG, JUNPING; WEI, GUOWEI; YE, XIU; ZHAO, SHAN

2013-01-01

Weak Galerkin methods refer to general finite element methods for partial differential equations (PDEs) in which differential operators are approximated by their weak forms as distributions. Such weak forms give rise to desirable flexibilities in enforcing boundary and interface conditions. A weak Galerkin finite element method (WG-FEM) is developed in this paper for solving elliptic PDEs with discontinuous coefficients and interfaces. Theoretically, it is proved that high order numerical schemes can be designed by using the WG-FEM with polynomials of high order on each element. Extensive numerical experiments have been carried to validate the WG-FEM for solving second order elliptic interface problems. High order of convergence is numerically confirmed in both L2 and L∞ norms for the piecewise linear WG-FEM. Special attention is paid to solve many interface problems, in which the solution possesses a certain singularity due to the nonsmoothness of the interface. A challenge in research is to design nearly second order numerical methods that work well for problems with low regularity in the solution. The best known numerical scheme in the literature is of order O(h) to O(h1.5) for the solution itself in L∞ norm. It is demonstrated that the WG-FEM of the lowest order, i.e., the piecewise constant WG-FEM, is capable of delivering numerical approximations that are of order O(h1.75) to O(h2) in the L∞ norm for C1 or Lipschitz continuous interfaces associated with a C1 or H2 continuous solution. PMID:24072935

The discovery of [Ni(NHC)RCN]2 species and their role as cycloaddition catalysts for the formation of pyridines.

PubMed

Stolley, Ryan M; Duong, Hung A; Thomas, David R; Louie, Janis

2012-09-12

The reaction of Ni(COD)(2), IPr, and nitrile affords dimeric [Ni(IPr)RCN](2) in high yields. X-ray analysis revealed these species display simultaneous η(1)- and η(2)-nitrile binding modes. These dimers are catalytically competent in the formation of pyridines from the cycloaddition of diynes and nitriles. Kinetic analysis showed the reaction to be first order in [Ni(IPr)RCN](2), zeroth order in added IPr, zeroth order in nitrile, and zeroth order in diyne. Extensive stoichiometric competition studies were performed, and selective incorporation of the exogenous, not dimer bound, nitrile was observed. Post cycloaddition, the dimeric state was found to be largely preserved. Nitrile and ligand exchange experiments were performed and found to be inoperative in the catalytic cycle. These observations suggest a mechanism whereby the catalyst is activated by partial dimer-opening followed by binding of exogenous nitrile and subsequent oxidative heterocoupling.

The Discovery of [Ni(NHC)RCN]2 Species and their Role as Cycloaddition Catalysts for the Formation of Pyridines

PubMed Central

Stolley, Ryan M.; Duong, Hung A.; Thomas, David R.; Louie, Janis

2012-01-01

The reaction of Ni(COD)2, IPr, and nitrile affords dimeric [Ni(IPr)RCN]2 in high yields. X-ray analysis revealed these species display simultaneous η1- and η2-nitrile binding modes. These dimers are catalytically competent in the formation of pyridines from the cycloaddition of diynes and nitriles. Kinetic analysis showed the reaction to be first order in [Ni(IPr)RCN]2, zeroth order in added IPr, zeroth order in nitrile, and zeroth order in diyne. Extensive stoichiometric competition studies were performed, and selective incorporation of the exogenous, not dimer bound, nitrile was observed. Post cycloaddition, the dimeric state was found to be largely preserved. Nitrile and ligand exchange experiments were performed and found to be inoperative in the catalytic cycle. These observations suggest a mechanism whereby the catalyst is activated by partial dimer-opening followed by binding of exogenous nitrile and subsequent oxidative heterocoupling. PMID:22917161

Stable sequential Kuhn-Tucker theorem in iterative form or a regularized Uzawa algorithm in a regular nonlinear programming problem

NASA Astrophysics Data System (ADS)

Sumin, M. I.

2015-06-01

A parametric nonlinear programming problem in a metric space with an operator equality constraint in a Hilbert space is studied assuming that its lower semicontinuous value function at a chosen individual parameter value has certain subdifferentiability properties in the sense of nonlinear (nonsmooth) analysis. Such subdifferentiability can be understood as the existence of a proximal subgradient or a Fréchet subdifferential. In other words, an individual problem has a corresponding generalized Kuhn-Tucker vector. Under this assumption, a stable sequential Kuhn-Tucker theorem in nondifferential iterative form is proved and discussed in terms of minimizing sequences on the basis of the dual regularization method. This theorem provides necessary and sufficient conditions for the stable construction of a minimizing approximate solution in the sense of Warga in the considered problem, whose initial data can be approximately specified. A substantial difference of the proved theorem from its classical same-named analogue is that the former takes into account the possible instability of the problem in the case of perturbed initial data and, as a consequence, allows for the inherited instability of classical optimality conditions. This theorem can be treated as a regularized generalization of the classical Uzawa algorithm to nonlinear programming problems. Finally, the theorem is applied to the "simplest" nonlinear optimal control problem, namely, to a time-optimal control problem.

Structural Reliability Analysis and Optimization: Use of Approximations

NASA Technical Reports Server (NTRS)

Grandhi, Ramana V.; Wang, Liping

1999-01-01

This report is intended for the demonstration of function approximation concepts and their applicability in reliability analysis and design. Particularly, approximations in the calculation of the safety index, failure probability and structural optimization (modification of design variables) are developed. With this scope in mind, extensive details on probability theory are avoided. Definitions relevant to the stated objectives have been taken from standard text books. The idea of function approximations is to minimize the repetitive use of computationally intensive calculations by replacing them with simpler closed-form equations, which could be nonlinear. Typically, the approximations provide good accuracy around the points where they are constructed, and they need to be periodically updated to extend their utility. There are approximations in calculating the failure probability of a limit state function. The first one, which is most commonly discussed, is how the limit state is approximated at the design point. Most of the time this could be a first-order Taylor series expansion, also known as the First Order Reliability Method (FORM), or a second-order Taylor series expansion (paraboloid), also known as the Second Order Reliability Method (SORM). From the computational procedure point of view, this step comes after the design point identification; however, the order of approximation for the probability of failure calculation is discussed first, and it is denoted by either FORM or SORM. The other approximation of interest is how the design point, or the most probable failure point (MPP), is identified. For iteratively finding this point, again the limit state is approximated. The accuracy and efficiency of the approximations make the search process quite practical for analysis intensive approaches such as the finite element methods; therefore, the crux of this research is to develop excellent approximations for MPP identification and also different

Processing SPARQL queries with regular expressions in RDF databases

PubMed Central

2011-01-01

Background As the Resource Description Framework (RDF) data model is widely used for modeling and sharing a lot of online bioinformatics resources such as Uniprot (dev.isb-sib.ch/projects/uniprot-rdf) or Bio2RDF (bio2rdf.org), SPARQL - a W3C recommendation query for RDF databases - has become an important query language for querying the bioinformatics knowledge bases. Moreover, due to the diversity of users’ requests for extracting information from the RDF data as well as the lack of users’ knowledge about the exact value of each fact in the RDF databases, it is desirable to use the SPARQL query with regular expression patterns for querying the RDF data. To the best of our knowledge, there is currently no work that efficiently supports regular expression processing in SPARQL over RDF databases. Most of the existing techniques for processing regular expressions are designed for querying a text corpus, or only for supporting the matching over the paths in an RDF graph. Results In this paper, we propose a novel framework for supporting regular expression processing in SPARQL query. Our contributions can be summarized as follows. 1) We propose an efficient framework for processing SPARQL queries with regular expression patterns in RDF databases. 2) We propose a cost model in order to adapt the proposed framework in the existing query optimizers. 3) We build a prototype for the proposed framework in C++ and conduct extensive experiments demonstrating the efficiency and effectiveness of our technique. Conclusions Experiments with a full-blown RDF engine show that our framework outperforms the existing ones by up to two orders of magnitude in processing SPARQL queries with regular expression patterns. PMID:21489225

Processing SPARQL queries with regular expressions in RDF databases.

PubMed

Lee, Jinsoo; Pham, Minh-Duc; Lee, Jihwan; Han, Wook-Shin; Cho, Hune; Yu, Hwanjo; Lee, Jeong-Hoon

2011-03-29

As the Resource Description Framework (RDF) data model is widely used for modeling and sharing a lot of online bioinformatics resources such as Uniprot (dev.isb-sib.ch/projects/uniprot-rdf) or Bio2RDF (bio2rdf.org), SPARQL - a W3C recommendation query for RDF databases - has become an important query language for querying the bioinformatics knowledge bases. Moreover, due to the diversity of users' requests for extracting information from the RDF data as well as the lack of users' knowledge about the exact value of each fact in the RDF databases, it is desirable to use the SPARQL query with regular expression patterns for querying the RDF data. To the best of our knowledge, there is currently no work that efficiently supports regular expression processing in SPARQL over RDF databases. Most of the existing techniques for processing regular expressions are designed for querying a text corpus, or only for supporting the matching over the paths in an RDF graph. In this paper, we propose a novel framework for supporting regular expression processing in SPARQL query. Our contributions can be summarized as follows. 1) We propose an efficient framework for processing SPARQL queries with regular expression patterns in RDF databases. 2) We propose a cost model in order to adapt the proposed framework in the existing query optimizers. 3) We build a prototype for the proposed framework in C++ and conduct extensive experiments demonstrating the efficiency and effectiveness of our technique. Experiments with a full-blown RDF engine show that our framework outperforms the existing ones by up to two orders of magnitude in processing SPARQL queries with regular expression patterns.

Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

PubMed Central

Wolters, Lando P; Bickelhaupt, F Matthias

2012-01-01

We have carried out extensive computational analyses of the structure and bonding mechanism in trihalides DX⋅⋅⋅A− and the analogous hydrogen-bonded complexes DH⋅⋅⋅A− (D, X, A=F, Cl, Br, I) using relativistic density functional theory (DFT) at zeroth-order regular approximation ZORA-BP86/TZ2P. One purpose was to obtain a set of consistent data from which reliable trends in structure and stability can be inferred over a large range of systems. The main objective was to achieve a detailed understanding of the nature of halogen bonds, how they resemble, and also how they differ from, the better understood hydrogen bonds. Thus, we present an accurate physical model of the halogen bond based on quantitative Kohn–Sham molecular orbital (MO) theory, energy decomposition analyses (EDA) and Voronoi deformation density (VDD) analyses of the charge distribution. It appears that the halogen bond in DX⋅⋅⋅A− arises not only from classical electrostatic attraction but also receives substantial stabilization from HOMO–LUMO interactions between the lone pair of A− and the σ* orbital of D–X. PMID:24551497

Efficiency of unconstrained minimization techniques in nonlinear analysis

NASA Technical Reports Server (NTRS)

Kamat, M. P.; Knight, N. F., Jr.

1978-01-01

Unconstrained minimization algorithms have been critically evaluated for their effectiveness in solving structural problems involving geometric and material nonlinearities. The algorithms have been categorized as being zeroth, first, or second order depending upon the highest derivative of the function required by the algorithm. The sensitivity of these algorithms to the accuracy of derivatives clearly suggests using analytically derived gradients instead of finite difference approximations. The use of analytic gradients results in better control of the number of minimizations required for convergence to the exact solution.

Zeroth order Fabry-Perot resonance enabled ultra-thin perfect light absorber using percolation aluminum and silicon nanofilms

DOE PAGES

Mirshafieyan, Seyed Sadreddin; Luk, Ting S.; Guo, Junpeng

2016-03-04

Here, we demonstrated perfect light absorption in optical nanocavities made of ultra-thin percolation aluminum and silicon films deposited on an aluminum surface. The total layer thickness of the aluminum and silicon films is one order of magnitude less than perfect absorption wavelength in the visible spectral range. The ratio of silicon cavity layer thickness to perfect absorption wavelength decreases as wavelength decreases due to the increased phase delays at silicon-aluminum boundaries at shorter wavelengths. It is explained that perfect light absorption is due to critical coupling of incident wave to the fundamental Fabry-Perot resonance mode of the structure where themore » round trip phase delay is zero. Simulations were performed and the results agree well with the measurement results.« less

The Effect of Concomitant Fields in Fast Spin Echo Acquisition on Asymmetric MRI Gradient Systems

PubMed Central

Tao, Shengzhen; Weavers, Paul T.; Trzasko, Joshua D.; Huston, John; Shu, Yunhong; Gray, Erin M.; Foo, Thomas K.F.; Bernstein, Matt A.

2017-01-01

Purpose To investigate the effect of the asymmetric gradient concomitant fields (CF) with zeroth and first-order spatial dependence on fast/turbo spin-echo acquisitions, and to demonstrate the effectiveness of their real-time compensation. Methods After briefly reviewing the CF produced by asymmetric gradients, the effects of the additional zeroth and first-order CFs on these systems are investigated using extended-phase graph simulations. Phantom and in vivo experiments are performed to corroborate the simulation. Experiments are performed before and after the real-time compensations using frequency tracking and gradient pre-emphasis to demonstrate their effectiveness in correcting the additional CFs. The interaction between the CFs and prescan-based correction to compensate for eddy currents is also investigated. Results It is demonstrated that, unlike the second-order CFs on conventional gradients, the additional zeroth/first-order CFs on asymmetric gradients cause substantial signal loss and dark banding in fast spin-echo acquisitions within a typical brain-scan field of view. They can confound the prescan correction for eddy currents and degrade image quality. Performing real-time compensation successfully eliminates the artifacts. Conclusions We demonstrate that the zeroth/first-order CFs specific to asymmetric gradients can cause substantial artifacts, including signal loss and dark bands for brain imaging. These effects can be corrected using real-time compensation. PMID:28643408

International Intercomparison of Regular Transmittance Scales

NASA Astrophysics Data System (ADS)

Eckerle, K. L.; Sutter, E.; Freeman, G. H. C.; Andor, G.; Fillinger, L.

1990-01-01

An intercomparison of the regular spectral transmittance scales of NIST, Gaithersburg, MD (USA); PTB, Braunschweig (FRG); NPL, Teddington, Middlesex (UK); and OMH, Budapest (H) was accomplished using three sets of neutral glass filters with transmittances ranging from approximately 0.92 to 0.001. The difference between the results from the reference spectrophotometers of the laboratories was generally smaller than the total uncertainty of the interchange. The relative total uncertainty ranges from 0.05% to 0.75% for transmittances from 0.92 to 0.001. The sample-induced error was large - contributing 40% or more of the total except in a few cases.

Dynamical cluster approximation plus semiclassical approximation study for a Mott insulator and d-wave pairing

NASA Astrophysics Data System (ADS)

Kim, SungKun; Lee, Hunpyo

2017-06-01

Via a dynamical cluster approximation with N c = 4 in combination with a semiclassical approximation (DCA+SCA), we study the doped two-dimensional Hubbard model. We obtain a plaquette antiferromagnetic (AF) Mott insulator, a plaquette AF ordered metal, a pseudogap (or d-wave superconductor) and a paramagnetic metal by tuning the doping concentration. These features are similar to the behaviors observed in copper-oxide superconductors and are in qualitative agreement with the results calculated by the cluster dynamical mean field theory with the continuous-time quantum Monte Carlo (CDMFT+CTQMC) approach. The results of our DCA+SCA differ from those of the CDMFT+CTQMC approach in that the d-wave superconducting order parameters are shown even in the high doped region, unlike the results of the CDMFT+CTQMC approach. We think that the strong plaquette AF orderings in the dynamical cluster approximation (DCA) with N c = 4 suppress superconducting states with increasing doping up to strongly doped region, because frozen dynamical fluctuations in a semiclassical approximation (SCA) approach are unable to destroy those orderings. Our calculation with short-range spatial fluctuations is initial research, because the SCA can manage long-range spatial fluctuations in feasible computational times beyond the CDMFT+CTQMC tool. We believe that our future DCA+SCA calculations should supply information on the fully momentum-resolved physical properties, which could be compared with the results measured by angle-resolved photoemission spectroscopy experiments.

A Note on Substructuring Preconditioning for Nonconforming Finite Element Approximations of Second Order Elliptic Problems

NASA Technical Reports Server (NTRS)

Maliassov, Serguei

1996-01-01

In this paper an algebraic substructuring preconditioner is considered for nonconforming finite element approximations of second order elliptic problems in 3D domains with a piecewise constant diffusion coefficient. Using a substructuring idea and a block Gauss elimination, part of the unknowns is eliminated and the Schur complement obtained is preconditioned by a spectrally equivalent very sparse matrix. In the case of quasiuniform tetrahedral mesh an appropriate algebraic multigrid solver can be used to solve the problem with this matrix. Explicit estimates of condition numbers and implementation algorithms are established for the constructed preconditioner. It is shown that the condition number of the preconditioned matrix does not depend on either the mesh step size or the jump of the coefficient. Finally, numerical experiments are presented to illustrate the theory being developed.

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.

Regularization of the Perturbed Spatial Restricted Three-Body Problem by L-Transformations

NASA Astrophysics Data System (ADS)

Poleshchikov, S. M.

2018-03-01

Equations of motion for the perturbed circular restricted three-body problem have been regularized in canonical variables in a moving coordinate system. Two different L-matrices of the fourth order are used in the regularization. Conditions for generalized symplecticity of the constructed transform have been checked. In the unperturbed case, the regular equations have a polynomial structure. The regular equations have been numerically integrated using the Runge-Kutta-Fehlberg method. The results of numerical experiments are given for the Earth-Moon system parameters taking into account the perturbation of the Sun for different L-matrices.

Hessian-based norm regularization for image restoration with biomedical applications.

PubMed

Lefkimmiatis, Stamatios; Bourquard, Aurélien; Unser, Michael

2012-03-01

We present nonquadratic Hessian-based regularization methods that can be effectively used for image restoration problems in a variational framework. Motivated by the great success of the total-variation (TV) functional, we extend it to also include second-order differential operators. Specifically, we derive second-order regularizers that involve matrix norms of the Hessian operator. The definition of these functionals is based on an alternative interpretation of TV that relies on mixed norms of directional derivatives. We show that the resulting regularizers retain some of the most favorable properties of TV, i.e., convexity, homogeneity, rotation, and translation invariance, while dealing effectively with the staircase effect. We further develop an efficient minimization scheme for the corresponding objective functions. The proposed algorithm is of the iteratively reweighted least-square type and results from a majorization-minimization approach. It relies on a problem-specific preconditioned conjugate gradient method, which makes the overall minimization scheme very attractive since it can be applied effectively to large images in a reasonable computational time. We validate the overall proposed regularization framework through deblurring experiments under additive Gaussian noise on standard and biomedical images.

Green operators for low regularity spacetimes

NASA Astrophysics Data System (ADS)

Sanchez Sanchez, Yafet; Vickers, James

2018-02-01

In this paper we define and construct advanced and retarded Green operators for the wave operator on spacetimes with low regularity. In order to do so we require that the spacetime satisfies the condition of generalised hyperbolicity which is equivalent to well-posedness of the classical inhomogeneous problem with zero initial data where weak solutions are properly supported. Moreover, we provide an explicit formula for the kernel of the Green operators in terms of an arbitrary eigenbasis of H 1 and a suitable Green matrix that solves a system of second order ODEs.

Sparse regularization for force identification using dictionaries

NASA Astrophysics Data System (ADS)

Qiao, Baijie; Zhang, Xingwu; Wang, Chenxi; Zhang, Hang; Chen, Xuefeng

2016-04-01

The classical function expansion method based on minimizing l2-norm of the response residual employs various basis functions to represent the unknown force. Its difficulty lies in determining the optimum number of basis functions. Considering the sparsity of force in the time domain or in other basis space, we develop a general sparse regularization method based on minimizing l1-norm of the coefficient vector of basis functions. The number of basis functions is adaptively determined by minimizing the number of nonzero components in the coefficient vector during the sparse regularization process. First, according to the profile of the unknown force, the dictionary composed of basis functions is determined. Second, a sparsity convex optimization model for force identification is constructed. Third, given the transfer function and the operational response, Sparse reconstruction by separable approximation (SpaRSA) is developed to solve the sparse regularization problem of force identification. Finally, experiments including identification of impact and harmonic forces are conducted on a cantilever thin plate structure to illustrate the effectiveness and applicability of SpaRSA. Besides the Dirac dictionary, other three sparse dictionaries including Db6 wavelets, Sym4 wavelets and cubic B-spline functions can also accurately identify both the single and double impact forces from highly noisy responses in a sparse representation frame. The discrete cosine functions can also successfully reconstruct the harmonic forces including the sinusoidal, square and triangular forces. Conversely, the traditional Tikhonov regularization method with the L-curve criterion fails to identify both the impact and harmonic forces in these cases.

A comparison of zero-order, first-order, and monod biotransformation models

USGS Publications Warehouse

Bekins, B.A.; Warren, E.; Godsy, E.M.

1998-01-01

Under some conditions, a first-order kinetic model is a poor representation of biodegradation in contaminated aquifers. Although it is well known that the assumption of first-order kinetics is valid only when substrate concentration, S, is much less than the half-saturation constant, K(s), this assumption is often made without verification of this condition. We present a formal error analysis showing that the relative error in the first-order approximation is S/K(S) and in the zero-order approximation the error is K(s)/S. We then examine the problems that arise when the first-order approximation is used outside the range for which it is valid. A series of numerical simulations comparing results of first- and zero-order rate approximations to Monod kinetics for a real data set illustrates that if concentrations observed in the field are higher than K(s), it may better to model degradation using a zero-order rate expression. Compared with Monod kinetics, extrapolation of a first-order rate to lower concentrations under-predicts the biotransformation potential, while extrapolation to higher concentrations may grossly over-predict the transformation rate. A summary of solubilities and Monod parameters for aerobic benzene, toluene, and xylene (BTX) degradation shows that the a priori assumption of first-order degradation kinetics at sites contaminated with these compounds is not valid. In particular, out of six published values of KS for toluene, only one is greater than 2 mg/L, indicating that when toluene is present in concentrations greater than about a part per million, the assumption of first-order kinetics may be invalid. Finally, we apply an existing analytical solution for steady-state one-dimensional advective transport with Monod degradation kinetics to a field data set.A formal error analysis is presented showing that the relative error in the first-order approximation is S/KS and in the zero-order approximation the error is KS/S where S is the substrate

A regularization method for extrapolation of solar potential magnetic fields

NASA Technical Reports Server (NTRS)

Gary, G. A.; Musielak, Z. E.

1992-01-01

The mathematical basis of a Tikhonov regularization method for extrapolating the chromospheric-coronal magnetic field using photospheric vector magnetograms is discussed. The basic techniques show that the Cauchy initial value problem can be formulated for potential magnetic fields. The potential field analysis considers a set of linear, elliptic partial differential equations. It is found that, by introducing an appropriate smoothing of the initial data of the Cauchy potential problem, an approximate Fourier integral solution is found, and an upper bound to the error in the solution is derived. This specific regularization technique, which is a function of magnetograph measurement sensitivities, provides a method to extrapolate the potential magnetic field above an active region into the chromosphere and low corona.

Regularization techniques for backward--in--time evolutionary PDE problems

NASA Astrophysics Data System (ADS)

Gustafsson, Jonathan; Protas, Bartosz

2007-11-01

Backward--in--time evolutionary PDE problems have applications in the recently--proposed retrograde data assimilation. We consider the terminal value problem for the Kuramoto--Sivashinsky equation (KSE) in a 1D periodic domain as our model system. The KSE, proposed as a model for interfacial and combustion phenomena, is also often adopted as a toy model for hydrodynamic turbulence because of its multiscale and chaotic dynamics. Backward--in--time problems are typical examples of ill-posed problem, where disturbances are amplified exponentially during the backward march. Regularization is required to solve such problems efficiently and we consider approaches in which the original ill--posed problem is approximated with a less ill--posed problem obtained by adding a regularization term to the original equation. While such techniques are relatively well--understood for linear problems, they less understood in the present nonlinear setting. We consider regularization terms with fixed magnitudes and also explore a novel approach in which these magnitudes are adapted dynamically using simple concepts from the Control Theory.

Regularization by Functions of Bounded Variation and Applications to Image Enhancement

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

Casas, E.; Kunisch, K.; Pola, C.

1999-09-15

Optimization problems regularized by bounded variation seminorms are analyzed. The optimality system is obtained and finite-dimensional approximations of bounded variation function spaces as well as of the optimization problems are studied. It is demonstrated that the choice of the vector norm in the definition of the bounded variation seminorm is of special importance for approximating subspaces consisting of piecewise constant functions. Algorithms based on a primal-dual framework that exploit the structure of these nondifferentiable optimization problems are proposed. Numerical examples are given for denoising of blocky images with very high noise.

A Modified Formula of the First-order Approximation for Assessing the Contribution of Climate Change to Runoff Based on the Budyko Hypothesis

NASA Astrophysics Data System (ADS)

Liu, W.; Ning, T.; Han, X.

2015-12-01

The climate elasticity based on the Budyko curves has been widely used to evaluate the hydrological responses to climate change. The Mezentsev-Choudhury-Yang formula is one of the representative analytical equations for Budyko curves. Previous researches mostly used the variation of runoff (R) caused by the changes of annual precipitation (P) and potential evapotranspiration (ET0) as the hydrological response to climate change and evaluated it by a first-order approximation in a form of total differential, the major components of which include the partial derivatives of R to P and ET0, as well as climate elasticity on this basis. Based on analytic derivation and the characteristics of Budyko curves, this study proposed a modified formula of the first-order approximation to reduce the errors from the approximation. In the calculation of partial derivatives and climate elasticity, the values of P and ET0 were taken to the sum of their base values and half increments, respectively. The calculation was applied in 33 catchments of the Hai River basin in China and the results showed that the mean absolute value of relative error of approximated runoff change decreased from 8.4% to 0.4% and the maximum value, from 23.4% to 1.3%. Given the variation values of P, ET0 and the controlling parameter (n), the modified formula can exactly quantify the contributions of climate fluctuation and underlying surface change to runoff. Taking the Murray-Darling basin in Australia as an example of the contribution calculated by the modified formula, the reductions of mean annual runoff caused by changes of P, ET0 and n from 1895-1996 to 1997-2006 were 2.6, 0.6 and 2.9 mm, respectively, and the sum of them was 6.1 mm, which was completely consistent with the observed runoff. The modified formula of the first-order approximation proposed in this study can be not only used to assess the contributions of climate change to the runoff, but also widely used to analyze the effects of similar

On optimizing the treatment of exchange perturbations.

NASA Technical Reports Server (NTRS)

Hirschfelder, J. O.; Chipman, D. M.

1972-01-01

Most theories of exchange perturbations would give the exact energy and wave function if carried out to an infinite order. However, the different methods give different values for the second-order energy, and different values for E(1), the expectation value of the Hamiltonian corresponding to the zeroth- plus first-order wave function. In the presented paper, it is shown that the zeroth- plus first-order wave function obtained by optimizing the basic equation which is used in most exchange perturbation treatments is the exact wave function for the perturbation system and E(1) is the exact energy.

Combining kernel matrix optimization and regularization to improve particle size distribution retrieval

NASA Astrophysics Data System (ADS)

Ma, Qian; Xia, Houping; Xu, Qiang; Zhao, Lei

2018-05-01

A new method combining Tikhonov regularization and kernel matrix optimization by multi-wavelength incidence is proposed for retrieving particle size distribution (PSD) in an independent model with improved accuracy and stability. In comparison to individual regularization or multi-wavelength least squares, the proposed method exhibited better anti-noise capability, higher accuracy and stability. While standard regularization typically makes use of the unit matrix, it is not universal for different PSDs, particularly for Junge distributions. Thus, a suitable regularization matrix was chosen by numerical simulation, with the second-order differential matrix found to be appropriate for most PSD types.

Anomalous double-stripe charge ordering in β -NaFe2O3 with double triangular layers consisting of almost perfect regular Fe4 tetrahedra

NASA Astrophysics Data System (ADS)

Kobayashi, Shintaro; Ueda, Hiroaki; Michioka, Chishiro; Yoshimura, Kazuyoshi; Nakamura, Shin; Katsufuji, Takuro; Sawa, Hiroshi

2018-05-01

The physical properties of the mixed-valent iron oxide β -NaFe2O3 were investigated by means of synchrotron radiation x-ray diffraction, magnetization, electrical resistivity, differential scanning calorimetry, 23Na NMR, and 57FeM o ̈ssbauer measurements. This compound has double triangular layers consisting of almost perfect regular Fe4 tetrahedra, which suggests geometrical frustration. We found that this compound exhibits an electrostatically unstable double-stripe-type charge ordering, which is stabilized by the cooperative compression of Fe3 +O6 octahedra, owing to a valence change and Fe2 +O6 octahedra due to Jahn-Teller distortion. Our results indicate the importance of electron-phonon coupling for charge ordering in the region of strong charge frustration.

Discontinuity-free edge-diffraction model for characterization of focused wave fields.

PubMed

Sedukhin, Andrey G

2010-03-01

A model of discontinuity-free edge diffraction is proposed that is valid in the framework of the scalar Debye approximation and describes the formation process and approximate structure of the stationary diffracted field of a monochromatic converging spherical wave of limited angular opening throughout the whole space about the focus. The field is represented semianalytically in terms of the sum of a direct quasi-spherical wave and two edge quasi-conical waves of the zeroth and first order. The angular spectrum amplitudes of all these waves have smooth continuous variations of the real and imaginary parts in polar angle and radius, the separable nonanalytic functions defining the polar-angle variations of the amplitudes being found by optimization techniques.

The LPM effect in sequential bremsstrahlung: dimensional regularization

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

Arnold, Peter; Chang, Han-Chih; Iqbal, Shahin

The splitting processes of bremsstrahlung and pair production in a medium are coherent over large distances in the very high energy limit, which leads to a suppression known as the Landau-Pomeranchuk-Migdal (LPM) effect. Of recent interest is the case when the coherence lengths of two consecutive splitting processes overlap (which is important for understanding corrections to standard treatments of the LPM effect in QCD). In previous papers, we have developed methods for computing such corrections without making soft-gluon approximations. However, our methods require consistent treatment of canceling ultraviolet (UV) divergences associated with coincident emission times, even for processes with tree-levelmore » amplitudes. In this paper, we show how to use dimensional regularization to properly handle the UV contributions. We also present a simple diagnostic test that any consistent UV regularization method for this problem needs to pass.« less

The LPM effect in sequential bremsstrahlung: dimensional regularization

DOE PAGES

Arnold, Peter; Chang, Han-Chih; Iqbal, Shahin

2016-10-19

The splitting processes of bremsstrahlung and pair production in a medium are coherent over large distances in the very high energy limit, which leads to a suppression known as the Landau-Pomeranchuk-Migdal (LPM) effect. Of recent interest is the case when the coherence lengths of two consecutive splitting processes overlap (which is important for understanding corrections to standard treatments of the LPM effect in QCD). In previous papers, we have developed methods for computing such corrections without making soft-gluon approximations. However, our methods require consistent treatment of canceling ultraviolet (UV) divergences associated with coincident emission times, even for processes with tree-levelmore » amplitudes. In this paper, we show how to use dimensional regularization to properly handle the UV contributions. We also present a simple diagnostic test that any consistent UV regularization method for this problem needs to pass.« less

Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: the COSX-SCS-MP3 method

NASA Astrophysics Data System (ADS)

Izsák, Róbert; Neese, Frank

2013-07-01

The 'chain of spheres' approximation, developed earlier for the efficient evaluation of the self-consistent field exchange term, is introduced here into the evaluation of the external exchange term of higher order correlation methods. Its performance is studied in the specific case of the spin-component-scaled third-order Møller--Plesset perturbation (SCS-MP3) theory. The results indicate that the approximation performs excellently in terms of both computer time and achievable accuracy. Significant speedups over a conventional method are obtained for larger systems and basis sets. Owing to this development, SCS-MP3 calculations on molecules of the size of penicillin (42 atoms) with a polarised triple-zeta basis set can be performed in ∼3 hours using 16 cores of an Intel Xeon E7-8837 processor with a 2.67 GHz clock speed, which represents a speedup by a factor of 8-9 compared to the previously most efficient algorithm. Thus, the increased accuracy offered by SCS-MP3 can now be explored for at least medium-sized molecules.

Constrained H1-regularization schemes for diffeomorphic image registration

PubMed Central

Mang, Andreas; Biros, George

2017-01-01

We propose regularization schemes for deformable registration and efficient algorithms for their numerical approximation. We treat image registration as a variational optimal control problem. The deformation map is parametrized by its velocity. Tikhonov regularization ensures well-posedness. Our scheme augments standard smoothness regularization operators based on H1- and H2-seminorms with a constraint on the divergence of the velocity field, which resembles variational formulations for Stokes incompressible flows. In our formulation, we invert for a stationary velocity field and a mass source map. This allows us to explicitly control the compressibility of the deformation map and by that the determinant of the deformation gradient. We also introduce a new regularization scheme that allows us to control shear. We use a globalized, preconditioned, matrix-free, reduced space (Gauss–)Newton–Krylov scheme for numerical optimization. We exploit variable elimination techniques to reduce the number of unknowns of our system; we only iterate on the reduced space of the velocity field. Our current implementation is limited to the two-dimensional case. The numerical experiments demonstrate that we can control the determinant of the deformation gradient without compromising registration quality. This additional control allows us to avoid oversmoothing of the deformation map. We also demonstrate that we can promote or penalize shear whilst controlling the determinant of the deformation gradient. PMID:29075361

Accelerating Large Data Analysis By Exploiting Regularities

NASA Technical Reports Server (NTRS)

Moran, Patrick J.; Ellsworth, David

2003-01-01

We present techniques for discovering and exploiting regularity in large curvilinear data sets. The data can be based on a single mesh or a mesh composed of multiple submeshes (also known as zones). Multi-zone data are typical to Computational Fluid Dynamics (CFD) simulations. Regularities include axis-aligned rectilinear and cylindrical meshes as well as cases where one zone is equivalent to a rigid-body transformation of another. Our algorithms can also discover rigid-body motion of meshes in time-series data. Next, we describe a data model where we can utilize the results from the discovery process in order to accelerate large data visualizations. Where possible, we replace general curvilinear zones with rectilinear or cylindrical zones. In rigid-body motion cases we replace a time-series of meshes with a transformed mesh object where a reference mesh is dynamically transformed based on a given time value in order to satisfy geometry requests, on demand. The data model enables us to make these substitutions and dynamic transformations transparently with respect to the visualization algorithms. We present results with large data sets where we combine our mesh replacement and transformation techniques with out-of-core paging in order to achieve significant speed-ups in analysis.

Anticipated HIV Stigma and Delays in Regular HIV Testing Behaviors Among Sexually-Active Young Gay, Bisexual, and Other Men Who Have Sex with Men and Transgender Women.

PubMed

Gamarel, Kristi E; Nelson, Kimberly M; Stephenson, Rob; Santiago Rivera, Olga J; Chiaramonte, Danielle; Miller, Robin Lin

2018-02-01

Young gay, bisexual and other men who have sex with men (YGBMSM) and young transgender women are disproportionately affected by HIV/AIDS. The success of biomedical prevention strategies is predicated on regular HIV testing; however, there has been limited uptake of testing among YGBMSM and young transgender women. Anticipated HIV stigma-expecting rejection as a result of seroconversion- may serve as a significant barrier to testing. A cross-sectional sample of YGBMSM (n = 719, 95.5%) and young transgender women (n = 33, 4.4%) ages 15-24 were recruited to participate in a one-time survey. Approximately one-third of youth had not tested within the last 6 months. In a multivariable model, anticipated HIV stigma and reporting a non-gay identity were associated with an increased odds of delaying regular HIV testing. Future research and interventions are warranted to address HIV stigma, in order to increase regular HIV testing among YGBMSM and transgender women.

Nonsmooth, nonconvex regularizers applied to linear electromagnetic inverse problems

NASA Astrophysics Data System (ADS)

Hidalgo-Silva, H.; Gomez-Trevino, E.

2017-12-01

Tikhonov's regularization method is the standard technique applied to obtain models of the subsurface conductivity distribution from electric or electromagnetic measurements by solving UT (m) = | F (m) - d |2 + λ P(m). The second term correspond to the stabilizing functional, with P (m) = | ∇ m |2 the usual approach, and λ the regularization parameter. Due to the roughness penalizer inclusion, the model developed by Tikhonov's algorithm tends to smear discontinuities, a feature that may be undesirable. An important requirement for the regularizer is to allow the recovery of edges, and smooth the homogeneous parts. As is well known, Total Variation (TV) is now the standard approach to meet this requirement. Recently, Wang et.al. proved convergence for alternating direction method of multipliers in nonconvex, nonsmooth optimization. In this work we present a study of several algorithms for model recovering of Geosounding data based on Infimal Convolution, and also on hybrid, TV and second order TV and nonsmooth, nonconvex regularizers, observing their performance on synthetic and real data. The algorithms are based on Bregman iteration and Split Bregman method, and the geosounding method is the low-induction numbers magnetic dipoles. Non-smooth regularizers are considered using the Legendre-Fenchel transform.

A regularity result for fixed points, with applications to linear response

NASA Astrophysics Data System (ADS)

Sedro, Julien

2018-04-01

In this paper, we show a series of abstract results on fixed point regularity with respect to a parameter. They are based on a Taylor development taking into account a loss of regularity phenomenon, typically occurring for composition operators acting on spaces of functions with finite regularity. We generalize this approach to higher order differentiability, through the notion of an n-graded family. We then give applications to the fixed point of a nonlinear map, and to linear response in the context of (uniformly) expanding dynamics (theorem 3 and corollary 2), in the spirit of Gouëzel-Liverani.

Deforming regular black holes

NASA Astrophysics Data System (ADS)

Neves, J. C. S.

2017-06-01

In this work, we have deformed regular black holes which possess a general mass term described by a function which generalizes the Bardeen and Hayward mass functions. By using linear constraints in the energy-momentum tensor to generate metrics, the solutions presented in this work are either regular or singular. That is, within this approach, it is possible to generate regular or singular black holes from regular or singular black holes. Moreover, contrary to the Bardeen and Hayward regular solutions, the deformed regular black holes may violate the weak energy condition despite the presence of the spherical symmetry. Some comments on accretion of deformed black holes in cosmological scenarios are made.

Construction of normal-regular decisions of Bessel typed special system

NASA Astrophysics Data System (ADS)

Tasmambetov, Zhaksylyk N.; Talipova, Meiramgul Zh.

2017-09-01

Studying a special system of differential equations in the separate production of the second order is solved by the degenerate hypergeometric function reducing to the Bessel functions of two variables. To construct a solution of this system near regular and irregular singularities, we use the method of Frobenius-Latysheva applying the concepts of rank and antirank. There is proved the basic theorem that establishes the existence of four linearly independent solutions of studying system type of Bessel. To prove the existence of normal-regular solutions we establish necessary conditions for the existence of such solutions. The existence and convergence of a normally regular solution are shown using the notion of rank and antirank.

Rotordynamic coefficients for labyrinth seals calculated by means of a finite difference technique

NASA Technical Reports Server (NTRS)

Nordmann, R.; Weiser, P.

1989-01-01

The compressible, turbulent, time dependent and three dimensional flow in a labyrinth seal can be described by the Navier-Stokes equations in conjunction with a turbulence model. Additionally, equations for mass and energy conservation and an equation of state are required. To solve these equations, a perturbation analysis is performed yielding zeroth order equations for centric shaft position and first order equations describing the flow field for small motions around the seal center. For numerical solution a finite difference method is applied to the zeroth and first order equations resulting in leakage and dynamic seal coefficients respectively.

Regularization of soft-X-ray imaging in the DIII-D tokamak

DOE PAGES

Wingen, A.; Shafer, M. W.; Unterberg, E. A.; ...

2015-03-02

We developed an image inversion scheme for the soft X-ray imaging system (SXRIS) diagnostic at the DIII-D tokamak in order to obtain the local soft X-ray emission at a poloidal cross-section from the spatially line-integrated image taken by the SXRIS camera. The scheme uses the Tikhonov regularization method since the inversion problem is generally ill-posed. The regularization technique uses the generalized singular value decomposition to determine a solution that depends on a free regularization parameter. The latter has to be chosen carefully, and the so called {\\it L-curve} method to find the optimum regularization parameter is outlined. A representative testmore » image is used to study the properties of the inversion scheme with respect to inversion accuracy, amount/strength of regularization, image noise and image resolution. Moreover, the optimum inversion parameters are identified, while the L-curve method successfully computes the optimum regularization parameter. Noise is found to be the most limiting issue, but sufficient regularization is still possible at noise to signal ratios up to 10%-15%. Finally, the inversion scheme is applied to measured SXRIS data and the line-integrated SXRIS image is successfully inverted.« less

Scalar field coupling to Einstein tensor in regular black hole spacetime

NASA Astrophysics Data System (ADS)

Zhang, Chi; Wu, Chen

2018-02-01

In this paper, we study the perturbation property of a scalar field coupling to Einstein's tensor in the background of the regular black hole spacetimes. Our calculations show that the the coupling constant η imprints in the wave equation of a scalar perturbation. We calculated the quasinormal modes of scalar field coupling to Einstein's tensor in the regular black hole spacetimes by the 3rd order WKB method.

NEW DEVELOPMENTS ON INVERSE POLYGON MAPPING TO CALCULATE GRAVITATIONAL LENSING MAGNIFICATION MAPS: OPTIMIZED COMPUTATIONS

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

Mediavilla, E.; Lopez, P.; Mediavilla, T.

2011-11-01

We derive an exact solution (in the form of a series expansion) to compute gravitational lensing magnification maps. It is based on the backward gravitational lens mapping of a partition of the image plane in polygonal cells (inverse polygon mapping, IPM), not including critical points (except perhaps at the cell boundaries). The zeroth-order term of the series expansion leads to the method described by Mediavilla et al. The first-order term is used to study the error induced by the truncation of the series at zeroth order, explaining the high accuracy of the IPM even at this low order of approximation.more » Interpreting the Inverse Ray Shooting (IRS) method in terms of IPM, we explain the previously reported N {sup -3/4} dependence of the IRS error with the number of collected rays per pixel. Cells intersected by critical curves (critical cells) transform to non-simply connected regions with topological pathologies like auto-overlapping or non-preservation of the boundary under the transformation. To define a non-critical partition, we use a linear approximation of the critical curve to divide each critical cell into two non-critical subcells. The optimal choice of the cell size depends basically on the curvature of the critical curves. For typical applications in which the pixel of the magnification map is a small fraction of the Einstein radius, a one-to-one relationship between the cell and pixel sizes in the absence of lensing guarantees both the consistence of the method and a very high accuracy. This prescription is simple but very conservative. We show that substantially larger cells can be used to obtain magnification maps with huge savings in computation time.« less

Order-parameter model for unstable multilane traffic flow

NASA Astrophysics Data System (ADS)

Lubashevsky, Ihor A.; Mahnke, Reinhard

2000-11-01

We discuss a phenomenological approach to the description of unstable vehicle motion on multilane highways that explains in a simple way the observed sequence of the ``free flow <--> synchronized mode <--> jam'' phase transitions as well as the hysteresis in these transitions. We introduce a variable called an order parameter that accounts for possible correlations in the vehicle motion at different lanes. So, it is principally due to the ``many-body'' effects in the car interaction in contrast to such variables as the mean car density and velocity being actually the zeroth and first moments of the ``one-particle'' distribution function. Therefore, we regard the order parameter as an additional independent state variable of traffic flow. We assume that these correlations are due to a small group of ``fast'' drivers and by taking into account the general properties of the driver behavior we formulate a governing equation for the order parameter. In this context we analyze the instability of homogeneous traffic flow that manifested itself in the above-mentioned phase transitions and gave rise to the hysteresis in both of them. Besides, the jam is characterized by the vehicle flows at different lanes which are independent of one another. We specify a certain simplified model in order to study the general features of the car cluster self-formation under the ``free flow <--> synchronized motion'' phase transition. In particular, we show that the main local parameters of the developed cluster are determined by the state characteristics of vehicle motion only.

Cosmological collapse and the improved Zel'dovich approximation.

NASA Astrophysics Data System (ADS)

Salopek, D. S.; Stewart, J. M.; Croudace, K. M.; Parry, J.

Using a general relativistic formulation, the authors show how to compute the higher order terms in the Zel'dovich approximation which describes cosmological collapse. They evolve the 3-metric in a spatial gradient expansion. Their method is an advance over earlier work because it is local at each order. Using the improved Zel'dovich approximation, they compute the epoch of collapse.

Thomas-Fermi approximation for a condensate with higher-order interactions

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

Thoegersen, M.; Jensen, A. S.; Zinner, N. T.

We consider the ground state of a harmonically trapped Bose-Einstein condensate within the Gross-Pitaevskii theory including the effective-range corrections for a two-body zero-range potential. The resulting nonlinear Schroedinger equation is solved analytically in the Thomas-Fermi approximation neglecting the kinetic-energy term. We present results for the chemical potential and the condensate profiles, discuss boundary conditions, and compare to the usual Thomas-Fermi approach. We discuss several ways to increase the influence of effective-range corrections in experiment with magnetically tunable interactions. The level of tuning required could be inside experimental reach in the near future.

Information fusion in regularized inversion of tomographic pumping tests

USGS Publications Warehouse

Bohling, Geoffrey C.; ,

2008-01-01

In this chapter we investigate a simple approach to incorporating geophysical information into the analysis of tomographic pumping tests for characterization of the hydraulic conductivity (K) field in an aquifer. A number of authors have suggested a tomographic approach to the analysis of hydraulic tests in aquifers - essentially simultaneous analysis of multiple tests or stresses on the flow system - in order to improve the resolution of the estimated parameter fields. However, even with a large amount of hydraulic data in hand, the inverse problem is still plagued by non-uniqueness and ill-conditioning and the parameter space for the inversion needs to be constrained in some sensible fashion in order to obtain plausible estimates of aquifer properties. For seismic and radar tomography problems, the parameter space is often constrained through the application of regularization terms that impose penalties on deviations of the estimated parameters from a prior or background model, with the tradeoff between data fit and model norm explored through systematic analysis of results for different levels of weighting on the regularization terms. In this study we apply systematic regularized inversion to analysis of tomographic pumping tests in an alluvial aquifer, taking advantage of the steady-shape flow regime exhibited in these tests to expedite the inversion process. In addition, we explore the possibility of incorporating geophysical information into the inversion through a regularization term relating the estimated K distribution to ground penetrating radar velocity and attenuation distributions through a smoothing spline model. ?? 2008 Springer-Verlag Berlin Heidelberg.

Two-dimensional self-organization of an ordered Au silicide nanowire network on a Si(110)-16 x 2 surface.

PubMed

Hong, Ie-Hong; Yen, Shang-Chieh; Lin, Fu-Shiang

2009-08-17

A well-ordered two-dimensional (2D) network consisting of two crossed Au silicide nanowire (NW) arrays is self-organized on a Si(110)-16 x 2 surface by the direct-current heating of approximately 1.5 monolayers of Au on the surface at 1100 K. Such a highly regular crossbar nanomesh exhibits both a perfect long-range spatial order and a high integration density over a mesoscopic area, and these two self-ordering crossed arrays of parallel-aligned NWs have distinctly different sizes and conductivities. NWs are fabricated with widths and pitches as small as approximately 2 and approximately 5 nm, respectively. The difference in the conductivities of two crossed-NW arrays opens up the possibility for their utilization in nanodevices of crossbar architecture. Scanning tunneling microscopy/spectroscopy studies show that the 2D self-organization of this perfect Au silicide nanomesh can be achieved through two different directional electromigrations of Au silicide NWs along different orientations of two nonorthogonal 16 x 2 domains, which are driven by the electrical field of direct-current heating. Prospects for this Au silicide nanomesh are also discussed.

Atomic electron energies including relativistic effects and quantum electrodynamic corrections

NASA Technical Reports Server (NTRS)

Aoyagi, M.; Chen, M. H.; Crasemann, B.; Huang, K. N.; Mark, H.

1977-01-01

Atomic electron energies have been calculated relativistically. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all orbitals in all atoms with 2 less than or equal to Z less than or equal to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. These results will serve for detailed comparison of calculations based on other approaches. The magnitude of quantum electrodynamic corrections is exhibited quantitatively for each state.

On the Relations among Regular, Equal Unique Variances, and Image Factor Analysis Models.

ERIC Educational Resources Information Center

Hayashi, Kentaro; Bentler, Peter M.

2000-01-01

Investigated the conditions under which the matrix of factor loadings from the factor analysis model with equal unique variances will give a good approximation to the matrix of factor loadings from the regular factor analysis model. Extends the results to the image factor analysis model. Discusses implications for practice. (SLD)

An adaptive regularization parameter choice strategy for multispectral bioluminescence tomography

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

Feng Jinchao; Qin Chenghu; Jia Kebin

2011-11-15

Purpose: Bioluminescence tomography (BLT) provides an effective tool for monitoring physiological and pathological activities in vivo. However, the measured data in bioluminescence imaging are corrupted by noise. Therefore, regularization methods are commonly used to find a regularized solution. Nevertheless, for the quality of the reconstructed bioluminescent source obtained by regularization methods, the choice of the regularization parameters is crucial. To date, the selection of regularization parameters remains challenging. With regards to the above problems, the authors proposed a BLT reconstruction algorithm with an adaptive parameter choice rule. Methods: The proposed reconstruction algorithm uses a diffusion equation for modeling the bioluminescentmore » photon transport. The diffusion equation is solved with a finite element method. Computed tomography (CT) images provide anatomical information regarding the geometry of the small animal and its internal organs. To reduce the ill-posedness of BLT, spectral information and the optimal permissible source region are employed. Then, the relationship between the unknown source distribution and multiview and multispectral boundary measurements is established based on the finite element method and the optimal permissible source region. Since the measured data are noisy, the BLT reconstruction is formulated as l{sub 2} data fidelity and a general regularization term. When choosing the regularization parameters for BLT, an efficient model function approach is proposed, which does not require knowledge of the noise level. This approach only requests the computation of the residual and regularized solution norm. With this knowledge, we construct the model function to approximate the objective function, and the regularization parameter is updated iteratively. Results: First, the micro-CT based mouse phantom was used for simulation verification. Simulation experiments were used to illustrate why multispectral data

Thermodynamics and glassy phase transition of regular black holes

NASA Astrophysics Data System (ADS)

Javed, Wajiha; Yousaf, Z.; Akhtar, Zunaira

2018-05-01

This paper is aimed to study thermodynamical properties of phase transition for regular charged black holes (BHs). In this context, we have considered two different forms of BH metrics supplemented with exponential and logistic distribution functions and investigated the recent expansion of phase transition through grand canonical ensemble. After exploring the corresponding Ehrenfest’s equation, we found the second-order background of phase transition at critical points. In order to check the critical behavior of regular BHs, we have evaluated some corresponding explicit relations for the critical temperature, pressure and volume and draw certain graphs with constant values of Smarr’s mass. We found that for the BH metric with exponential configuration function, the phase transition curves are divergent near the critical points, while glassy phase transition has been observed for the Ayón-Beato-García-Bronnikov (ABGB) BH in n = 5 dimensions.

Cosmological applications of Padé approximant

NASA Astrophysics Data System (ADS)

Wei, Hao; Yan, Xiao-Peng; Zhou, Ya-Nan

2014-01-01

As is well known, in mathematics, any function could be approximated by the Padé approximant. The Padé approximant is the best approximation of a function by a rational function of given order. In fact, the Padé approximant often gives better approximation of the function than truncating its Taylor series, and it may still work where the Taylor series does not converge. In the present work, we consider the Padé approximant in two issues. First, we obtain the analytical approximation of the luminosity distance for the flat XCDM model, and find that the relative error is fairly small. Second, we propose several parameterizations for the equation-of-state parameter (EoS) of dark energy based on the Padé approximant. They are well motivated from the mathematical and physical points of view. We confront these EoS parameterizations with the latest observational data, and find that they can work well. In these practices, we show that the Padé approximant could be an useful tool in cosmology, and it deserves further investigation.

A dynamical regularization algorithm for solving inverse source problems of elliptic partial differential equations

NASA Astrophysics Data System (ADS)

Zhang, Ye; Gong, Rongfang; Cheng, Xiaoliang; Gulliksson, Mårten

2018-06-01

This study considers the inverse source problem for elliptic partial differential equations with both Dirichlet and Neumann boundary data. The unknown source term is to be determined by additional boundary conditions. Unlike the existing methods found in the literature, which usually employ the first-order in time gradient-like system (such as the steepest descent methods) for numerically solving the regularized optimization problem with a fixed regularization parameter, we propose a novel method with a second-order in time dissipative gradient-like system and a dynamical selected regularization parameter. A damped symplectic scheme is proposed for the numerical solution. Theoretical analysis is given for both the continuous model and the numerical algorithm. Several numerical examples are provided to show the robustness of the proposed algorithm.

Failure of geometric electromagnetism in the adiabatic vector Kepler problem

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

Anglin, J.R.; Schmiedmayer, J.

2004-02-01

The magnetic moment of a particle orbiting a straight current-carrying wire may precess rapidly enough in the wire's magnetic field to justify an adiabatic approximation, eliminating the rapid time dependence of the magnetic moment and leaving only the particle position as a slow degree of freedom. To zeroth order in the adiabatic expansion, the orbits of the particle in the plane perpendicular to the wire are Keplerian ellipses. Higher-order postadiabatic corrections make the orbits precess, but recent analysis of this 'vector Kepler problem' has shown that the effective Hamiltonian incorporating a postadiabatic scalar potential ('geometric electromagnetism') fails to predict themore » precession correctly, while a heuristic alternative succeeds. In this paper we resolve the apparent failure of the postadiabatic approximation, by pointing out that the correct second-order analysis produces a third Hamiltonian, in which geometric electromagnetism is supplemented by a tensor potential. The heuristic Hamiltonian of Schmiedmayer and Scrinzi is then shown to be a canonical transformation of the correct adiabatic Hamiltonian, to second order. The transformation has the important advantage of removing a 1/r{sup 3} singularity which is an artifact of the adiabatic approximation.« less

Poisson image reconstruction with Hessian Schatten-norm regularization.

PubMed

Lefkimmiatis, Stamatios; Unser, Michael

2013-11-01

Poisson inverse problems arise in many modern imaging applications, including biomedical and astronomical ones. The main challenge is to obtain an estimate of the underlying image from a set of measurements degraded by a linear operator and further corrupted by Poisson noise. In this paper, we propose an efficient framework for Poisson image reconstruction, under a regularization approach, which depends on matrix-valued regularization operators. In particular, the employed regularizers involve the Hessian as the regularization operator and Schatten matrix norms as the potential functions. For the solution of the problem, we propose two optimization algorithms that are specifically tailored to the Poisson nature of the noise. These algorithms are based on an augmented-Lagrangian formulation of the problem and correspond to two variants of the alternating direction method of multipliers. Further, we derive a link that relates the proximal map of an l(p) norm with the proximal map of a Schatten matrix norm of order p. This link plays a key role in the development of one of the proposed algorithms. Finally, we provide experimental results on natural and biological images for the task of Poisson image deblurring and demonstrate the practical relevance and effectiveness of the proposed framework.

A high-order time-parallel scheme for solving wave propagation problems via the direct construction of an approximate time-evolution operator

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

Haut, T. S.; Babb, T.; Martinsson, P. G.

2015-06-16

Our manuscript demonstrates a technique for efficiently solving the classical wave equation, the shallow water equations, and, more generally, equations of the form ∂u/∂t=Lu∂u/∂t=Lu, where LL is a skew-Hermitian differential operator. The idea is to explicitly construct an approximation to the time-evolution operator exp(τL)exp(τL) for a relatively large time-step ττ. Recently developed techniques for approximating oscillatory scalar functions by rational functions, and accelerated algorithms for computing functions of discretized differential operators are exploited. Principal advantages of the proposed method include: stability even for large time-steps, the possibility to parallelize in time over many characteristic wavelengths and large speed-ups over existingmore » methods in situations where simulation over long times are required. Numerical examples involving the 2D rotating shallow water equations and the 2D wave equation in an inhomogenous medium are presented, and the method is compared to the 4th order Runge–Kutta (RK4) method and to the use of Chebyshev polynomials. The new method achieved high accuracy over long-time intervals, and with speeds that are orders of magnitude faster than both RK4 and the use of Chebyshev polynomials.« less

Robust approximate optimal guidance strategies for aeroassisted orbital transfer missions

NASA Astrophysics Data System (ADS)

Ilgen, Marc R.

This thesis presents the application of game theoretic and regular perturbation methods to the problem of determining robust approximate optimal guidance laws for aeroassisted orbital transfer missions with atmospheric density and navigated state uncertainties. The optimal guidance problem is reformulated as a differential game problem with the guidance law designer and Nature as opposing players. The resulting equations comprise the necessary conditions for the optimal closed loop guidance strategy in the presence of worst case parameter variations. While these equations are nonlinear and cannot be solved analytically, the presence of a small parameter in the equations of motion allows the method of regular perturbations to be used to solve the equations approximately. This thesis is divided into five parts. The first part introduces the class of problems to be considered and presents results of previous research. The second part then presents explicit semianalytical guidance law techniques for the aerodynamically dominated region of flight. These guidance techniques are applied to unconstrained and control constrained aeroassisted plane change missions and Mars aerocapture missions, all subject to significant atmospheric density variations. The third part presents a guidance technique for aeroassisted orbital transfer problems in the gravitationally dominated region of flight. Regular perturbations are used to design an implicit guidance technique similar to the second variation technique but that removes the need for numerically computing an optimal trajectory prior to flight. This methodology is then applied to a set of aeroassisted inclination change missions. In the fourth part, the explicit regular perturbation solution technique is extended to include the class of guidance laws with partial state information. This methodology is then applied to an aeroassisted plane change mission using inertial measurements and subject to uncertainties in the initial value

Molecular orbital analysis of the inverse halogen dependence of nuclear magnetic shielding in LaX₃, X = F, Cl, Br, I.

PubMed

Moncho, Salvador; Autschbach, Jochen

2010-12-01

The NMR nuclear shielding tensors for the series LaX(3), with X = F, Cl, Br and I, have been computed using two-component relativistic density functional theory based on the zeroth-order regular approximation (ZORA). A detailed analysis of the inverse halogen dependence (IHD) of the La shielding was performed via decomposition of the shielding tensor elements into contributions from localized and delocalized molecular orbitals. Both spin-orbit and paramagnetic shielding terms are important, with the paramagnetic terms being dominant. Major contributions to the IHD can be attributed to the La-X bonding orbitals, as well as to trends associated with the La core and halogen lone pair orbitals, the latter being related to X-La π donation. An 'orbital rotation' model for the in-plane π acceptor f orbital of La helps to rationalize the significant magnitude of deshielding associated with the in-plane π donation. The IHD goes along with a large increase in the shielding tensor anisotropy as X becomes heavier, which can be associated with trends for the covalency of the La-X bonds, with a particularly effective transfer of spin-orbit coupling induced spin density from iodine to La in LaI(3). Copyright © 2010 John Wiley & Sons, Ltd.

Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers.

PubMed

Jankowska, Marzena; Kupka, Teobald; Stobiński, Leszek; Faber, Rasmus; Lacerda, Evanildo G; Sauer, Stephan P A

2016-02-05

Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for nonrelativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton, and xenon dimers and free atoms. Relativistic corrections were calculated with the scalar and spin-orbit zeroth-order regular approximation Hamiltonian in combination with the large Slater-type basis set QZ4P as well as with the four-component Dirac-Coulomb Hamiltonian using Dyall's acv4z basis sets. The relativistic corrections to the nuclear magnetic shieldings and chemical shifts are combined with nonrelativistic coupled cluster singles and doubles with noniterative triple excitations [CCSD(T)] calculations using the very large polarization-consistent basis sets aug-pcSseg-4 for He, Ne and Ar, aug-pcSseg-3 for Kr, and the AQZP basis set for Xe. For the dimers also, zero-point vibrational (ZPV) corrections are obtained at the CCSD(T) level with the same basis sets were added. Best estimates of the dimer chemical shifts are generated from these nuclear magnetic shieldings and the relative importance of electron correlation, ZPV, and relativistic corrections for the shieldings and chemical shifts is analyzed. © 2015 Wiley Periodicals, Inc.

Multilinear Graph Embedding: Representation and Regularization for Images.

PubMed

Chen, Yi-Lei; Hsu, Chiou-Ting

2014-02-01

Given a set of images, finding a compact and discriminative representation is still a big challenge especially when multiple latent factors are hidden in the way of data generation. To represent multifactor images, although multilinear models are widely used to parameterize the data, most methods are based on high-order singular value decomposition (HOSVD), which preserves global statistics but interprets local variations inadequately. To this end, we propose a novel method, called multilinear graph embedding (MGE), as well as its kernelization MKGE to leverage the manifold learning techniques into multilinear models. Our method theoretically links the linear, nonlinear, and multilinear dimensionality reduction. We also show that the supervised MGE encodes informative image priors for image regularization, provided that an image is represented as a high-order tensor. From our experiments on face and gait recognition, the superior performance demonstrates that MGE better represents multifactor images than classic methods, including HOSVD and its variants. In addition, the significant improvement in image (or tensor) completion validates the potential of MGE for image regularization.

Hessian Schatten-norm regularization for linear inverse problems.

PubMed

Lefkimmiatis, Stamatios; Ward, John Paul; Unser, Michael

2013-05-01

We introduce a novel family of invariant, convex, and non-quadratic functionals that we employ to derive regularized solutions of ill-posed linear inverse imaging problems. The proposed regularizers involve the Schatten norms of the Hessian matrix, which are computed at every pixel of the image. They can be viewed as second-order extensions of the popular total-variation (TV) semi-norm since they satisfy the same invariance properties. Meanwhile, by taking advantage of second-order derivatives, they avoid the staircase effect, a common artifact of TV-based reconstructions, and perform well for a wide range of applications. To solve the corresponding optimization problems, we propose an algorithm that is based on a primal-dual formulation. A fundamental ingredient of this algorithm is the projection of matrices onto Schatten norm balls of arbitrary radius. This operation is performed efficiently based on a direct link we provide between vector projections onto lq norm balls and matrix projections onto Schatten norm balls. Finally, we demonstrate the effectiveness of the proposed methods through experimental results on several inverse imaging problems with real and simulated data.

Physics-driven Spatiotemporal Regularization for High-dimensional Predictive Modeling: A Novel Approach to Solve the Inverse ECG Problem

NASA Astrophysics Data System (ADS)

Yao, Bing; Yang, Hui

2016-12-01

This paper presents a novel physics-driven spatiotemporal regularization (STRE) method for high-dimensional predictive modeling in complex healthcare systems. This model not only captures the physics-based interrelationship between time-varying explanatory and response variables that are distributed in the space, but also addresses the spatial and temporal regularizations to improve the prediction performance. The STRE model is implemented to predict the time-varying distribution of electric potentials on the heart surface based on the electrocardiogram (ECG) data from the distributed sensor network placed on the body surface. The model performance is evaluated and validated in both a simulated two-sphere geometry and a realistic torso-heart geometry. Experimental results show that the STRE model significantly outperforms other regularization models that are widely used in current practice such as Tikhonov zero-order, Tikhonov first-order and L1 first-order regularization methods.

Electromagnetic enhancement of ordered silver nanorod arrays evaluated by discrete dipole approximation.

PubMed

Wei, Guoke; Wang, Jinliang; Chen, Yu

2015-01-01

The enhancement factor (EF) of surface-enhanced Raman scattering (SERS) from two-dimensional (2D) hexagonal silver nanorod (AgNR) arrays were investigated in terms of electromagnetic (EM) mechanism by using the discrete dipole approximation (DDA) method. The dependence of EF on several parameters, i.e., structure, length, excitation wavelength, incident angle and polarization, and gap size has been investigated. "Hotspots" were found distributed in the gaps between adjacent nanorods. Simulations of AgNR arrays of different lengths revealed that increasing the rod length from 374 to 937 nm (aspect ratio from 2.0 to 5.0) generated more "hotspots" but not necessarily increased EF under both 514 and 532 nm excitation. A narrow lateral gap (in the incident plane) was found to result in strong EF, while the dependence of EF on the diagonal gap (out of the incident plane) showed an oscillating behavior. The EF of the array was highly dependent on the angle and polarization of the incident light. The structure of AgNR and the excitation wavelength were also found to affect the EF. The EF of random arrays was stronger than that of an ordered one with the same average gap of 21 nm, which could be explained by the exponential dependence of EF on the lateral gap size. Our results also suggested that absorption rather than extinction or scattering could be a good indicator of EM enhancement. It is expected that the understanding of the dependence of local field enhancement on the structure of the nanoarrays and incident excitations will shine light on the optimal design of efficient SERS substrates and improved performance.

Comparison of dynamical approximation schemes for nonlinear gravitaional clustering

NASA Technical Reports Server (NTRS)

Melott, Adrian L.

1994-01-01

We have recently conducted a controlled comparison of a number of approximations for gravitational clustering against the same n-body simulations. These include ordinary linear perturbation theory (Eulerian), the lognormal approximation, the adhesion approximation, the frozen-flow approximation, the Zel'dovich approximation (describable as first-order Lagrangian perturbation theory), and its second-order generalization. In the last two cases we also created new versions of the approximation by truncation, i.e., by smoothing the initial conditions with various smoothing window shapes and varying their sizes. The primary tool for comparing simulations to approximation schemes was cross-correlation of the evolved mass density fields, testing the extent to which mass was moved to the right place. The Zel'dovich approximation, with initial convolution with a Gaussian e(exp -k(exp 2)/k(sub G(exp 2)), where k(sub G) is adjusted to be just into the nonlinear regime of the evolved model (details in text) worked extremely well. Its second-order generalization worked slightly better. We recommend either n-body simulations or our modified versions of the Zel'dovich approximation, depending upon the purpose. The theoretical implication is that pancaking is implicit in all cosmological gravitational clustering, at least from Gaussian initial conditions, even when subcondensations are present. This in turn provides a natural explanation for the presence of sheets and filaments in the observed galaxy distribution. Use of the approximation scheme can permit extremely rapid generation of large numbers of realizations of model universes with good accuracy down to galaxy group mass scales.

Nonconvex Sparse Logistic Regression With Weakly Convex Regularization

NASA Astrophysics Data System (ADS)

Shen, Xinyue; Gu, Yuantao

2018-06-01

In this work we propose to fit a sparse logistic regression model by a weakly convex regularized nonconvex optimization problem. The idea is based on the finding that a weakly convex function as an approximation of the $\\ell_0$ pseudo norm is able to better induce sparsity than the commonly used $\\ell_1$ norm. For a class of weakly convex sparsity inducing functions, we prove the nonconvexity of the corresponding sparse logistic regression problem, and study its local optimality conditions and the choice of the regularization parameter to exclude trivial solutions. Despite the nonconvexity, a method based on proximal gradient descent is used to solve the general weakly convex sparse logistic regression, and its convergence behavior is studied theoretically. Then the general framework is applied to a specific weakly convex function, and a necessary and sufficient local optimality condition is provided. The solution method is instantiated in this case as an iterative firm-shrinkage algorithm, and its effectiveness is demonstrated in numerical experiments by both randomly generated and real datasets.

Power-law regularities in human language

NASA Astrophysics Data System (ADS)

Mehri, Ali; Lashkari, Sahar Mohammadpour

2016-11-01

Complex structure of human language enables us to exchange very complicated information. This communication system obeys some common nonlinear statistical regularities. We investigate four important long-range features of human language. We perform our calculations for adopted works of seven famous litterateurs. Zipf's law and Heaps' law, which imply well-known power-law behaviors, are established in human language, showing a qualitative inverse relation with each other. Furthermore, the informational content associated with the words ordering, is measured by using an entropic metric. We also calculate fractal dimension of words in the text by using box counting method. The fractal dimension of each word, that is a positive value less than or equal to one, exhibits its spatial distribution in the text. Generally, we can claim that the Human language follows the mentioned power-law regularities. Power-law relations imply the existence of long-range correlations between the word types, to convey an especial idea.

Linearized Alternating Direction Method of Multipliers for Constrained Nonconvex Regularized Optimization

DTIC Science & Technology

2016-11-22

structure of the graph, we replace the ℓ1- norm by the nonconvex Capped -ℓ1 norm , and obtain the Generalized Capped -ℓ1 regularized logistic regression...X. M. Yuan. Linearized augmented lagrangian and alternating direction methods for nuclear norm minimization. Mathematics of Computation, 82(281):301...better approximations of ℓ0- norm theoretically and computationally beyond ℓ1- norm , for example, the compressive sensing (Xiao et al., 2011). The

Regularizing the r-mode Problem for Nonbarotropic Relativistic Stars

NASA Technical Reports Server (NTRS)

Lockitch, Keith H.; Andersson, Nils; Watts, Anna L.

2004-01-01

We present results for r-modes of relativistic nonbarotropic stars. We show that the main differential equation, which is formally singular at lowest order in the slow-rotation expansion, can be regularized if one considers the initial value problem rather than the normal mode problem. However, a more physically motivated way to regularize the problem is to include higher order terms. This allows us to develop a practical approach for solving the problem and we provide results that support earlier conclusions obtained for uniform density stars. In particular, we show that there will exist a single r-mode for each permissible combination of 1 and m. We discuss these results and provide some caveats regarding their usefulness for estimates of gravitational-radiation reaction timescales. The close connection between the seemingly singular relativistic r-mode problem and issues arising because of the presence of co-rotation points in differentially rotating stars is also clarified.

Hierarchical collapse of regular islands via dissipation

NASA Astrophysics Data System (ADS)

Jousseph, C. A. C.; Abdulack, S. A.; Manchein, C.; Beims, M. W.

2018-03-01

In this work we investigate how regular islands localized in a mixed phase-space of generic area-preserving Hamiltonian systems are affected by a small amount of dissipation. Mainly we search for a universality (hierarchy) in the convergence of higher-order resonances and their periods when dissipation increases. One very simple scenario is already known: when subjected to small dissipation, stable periodic points become sinks attracting almost all the surrounding orbits, destroying all invariant curves which divide the phase-space in chaotic and regular domains. However, performing numerical experiments with the paradigmatic Chirikov-Taylor standard mapping we show that this presumably simple scenario can be rather complicated. The first, not trivial, scenario is what happens to chaotic trajectories, since they can be attracted by the sinks or by chaotic attractors, in cases when they exist. We show that this depends very much on how basins of attraction are formed as dissipation increases. In addition, we demonstrate that higher-order resonances are usually first affected by small dissipation when compared to lower-order resonances from the conservative case. Nevertheless, this is not a generic behaviour. We show that a local hierarchical collapse of resonances, as dissipation increases, is related to the area of the islands from the conservative case surrounding the periodic orbits. All observed resonance destructions occur via the bifurcation phenomena and are quantified here by determining the largest finite-time Lyapunov exponent.

Regular source of primary care and emergency department use of children in Victoria.

PubMed

Turbitt, Erin; Freed, Gary Lee

2016-03-01

The aim of this paper was to study the prevalence of a regular source of primary care for Victorian children attending one of four emergency departments (EDs) and to determine associated characteristics, including ED use. Responses were collected via an electronic survey from parents attending EDs with their child (≤9 years of age) for a lower-urgency condition. Single, multiple choice, and Likert scale responses were analysed using bivariate and logistic regression tests. Of the 1146 parents who provided responses, 80% stated their child has a regular source of primary care. Of these, care is mostly received by a general practitioner (GP) (95%) in GP group practices (71%). Approximately 20% have changed where their child receives primary care in the last year. No associations were observed between having a regular source of primary care and frequency of ED attendance in the past 12 months, although parents whose child did not have a regular source of primary care were more likely to view the ED as a more convenient place to receive care than the primary care provider (39% without regular source vs. 18% with regular source; P < 0.0001). Children were less likely to have a regular source of primary care if their parents were younger, had a lower household income, lower education, and were visiting a hospital in a lower socio-economic indexes for areas rank. Policy options to improve continuity of care for children may require investigation. Increasing the prevalence of regular source of primary care for children may in turn reduce ED visits. © 2015 The Authors. Journal of Paediatrics and Child Health © 2015 Paediatrics and Child Health Division (Royal Australasian College of Physicians).

Resolution of the 1D regularized Burgers equation using a spatial wavelet approximation

NASA Technical Reports Server (NTRS)

Liandrat, J.; Tchamitchian, PH.

1990-01-01

The Burgers equation with a small viscosity term, initial and periodic boundary conditions is resolved using a spatial approximation constructed from an orthonormal basis of wavelets. The algorithm is directly derived from the notions of multiresolution analysis and tree algorithms. Before the numerical algorithm is described these notions are first recalled. The method uses extensively the localization properties of the wavelets in the physical and Fourier spaces. Moreover, the authors take advantage of the fact that the involved linear operators have constant coefficients. Finally, the algorithm can be considered as a time marching version of the tree algorithm. The most important point is that an adaptive version of the algorithm exists: it allows one to reduce in a significant way the number of degrees of freedom required for a good computation of the solution. Numerical results and description of the different elements of the algorithm are provided in combination with different mathematical comments on the method and some comparison with more classical numerical algorithms.

Nonpolynomial Lagrangian approach to regular black holes

NASA Astrophysics Data System (ADS)

Colléaux, Aimeric; Chinaglia, Stefano; Zerbini, Sergio

We present a review on Lagrangian models admitting spherically symmetric regular black holes (RBHs), and cosmological bounce solutions. Nonlinear electrodynamics, nonpolynomial gravity, and fluid approaches are explained in details. They consist respectively in a gauge invariant generalization of the Maxwell-Lagrangian, in modifications of the Einstein-Hilbert action via nonpolynomial curvature invariants, and finally in the reconstruction of density profiles able to cure the central singularity of black holes. The nonpolynomial gravity curvature invariants have the special property to be second-order and polynomial in the metric field, in spherically symmetric spacetimes. Along the way, other models and results are discussed, and some general properties that RBHs should satisfy are mentioned. A covariant Sakharov criterion for the absence of singularities in dynamical spherically symmetric spacetimes is also proposed and checked for some examples of such regular metric fields.

25 CFR 11.1206 - Obtaining a regular (non-emergency) order of protection.

Code of Federal Regulations, 2010 CFR

2010-04-01

... COURTS OF INDIAN OFFENSES AND LAW AND ORDER CODE Child Protection and Domestic Violence Procedures § 11... act of domestic violence occurred, the court may issue an order of protection. The order must meet the... committed the act of domestic violence to refrain from acts or threats of violence against the petitioner or...

25 CFR 11.1206 - Obtaining a regular (non-emergency) order of protection.

Code of Federal Regulations, 2011 CFR

2011-04-01

... COURTS OF INDIAN OFFENSES AND LAW AND ORDER CODE Child Protection and Domestic Violence Procedures § 11... act of domestic violence occurred, the court may issue an order of protection. The order must meet the... committed the act of domestic violence to refrain from acts or threats of violence against the petitioner or...

Pawlak Algebra and Approximate Structure on Fuzzy Lattice

PubMed Central

Zhuang, Ying; Liu, Wenqi; Wu, Chin-Chia; Li, Jinhai

2014-01-01

The aim of this paper is to investigate the general approximation structure, weak approximation operators, and Pawlak algebra in the framework of fuzzy lattice, lattice topology, and auxiliary ordering. First, we prove that the weak approximation operator space forms a complete distributive lattice. Then we study the properties of transitive closure of approximation operators and apply them to rough set theory. We also investigate molecule Pawlak algebra and obtain some related properties. PMID:25152922

Pawlak algebra and approximate structure on fuzzy lattice.

PubMed

Zhuang, Ying; Liu, Wenqi; Wu, Chin-Chia; Li, Jinhai

2014-01-01

The aim of this paper is to investigate the general approximation structure, weak approximation operators, and Pawlak algebra in the framework of fuzzy lattice, lattice topology, and auxiliary ordering. First, we prove that the weak approximation operator space forms a complete distributive lattice. Then we study the properties of transitive closure of approximation operators and apply them to rough set theory. We also investigate molecule Pawlak algebra and obtain some related properties.

Accuracy of the Generalized Self-Consistent Method in Modelling the Elastic Behaviour of Periodic Composites

NASA Technical Reports Server (NTRS)

Walker, Kevin P.; Freed, Alan D.; Jordan, Eric H.

1993-01-01

Local stress and strain fields in the unit cell of an infinite, two-dimensional, periodic fibrous lattice have been determined by an integral equation approach. The effect of the fibres is assimilated to an infinite two-dimensional array of fictitious body forces in the matrix constituent phase of the unit cell. By subtracting a volume averaged strain polarization term from the integral equation we effectively embed a finite number of unit cells in a homogenized medium in which the overall stress and strain correspond to the volume averaged stress and strain of the constrained unit cell. This paper demonstrates that the zeroth term in the governing integral equation expansion, which embeds one unit cell in the homogenized medium, corresponds to the generalized self-consistent approximation. By comparing the zeroth term approximation with higher order approximations to the integral equation summation, both the accuracy of the generalized self-consistent composite model and the rate of convergence of the integral summation can be assessed. Two example composites are studied. For a tungsten/copper elastic fibrous composite the generalized self-consistent model is shown to provide accurate, effective, elastic moduli and local field representations. The local elastic transverse stress field within the representative volume element of the generalized self-consistent method is shown to be in error by much larger amounts for a composite with periodically distributed voids, but homogenization leads to a cancelling of errors, and the effective transverse Young's modulus of the voided composite is shown to be in error by only 23% at a void volume fraction of 75%.

Fermion-number violation in regularizations that preserve fermion-number symmetry

NASA Astrophysics Data System (ADS)

Golterman, Maarten; Shamir, Yigal

2003-01-01

There exist both continuum and lattice regularizations of gauge theories with fermions which preserve chiral U(1) invariance (“fermion number”). Such regularizations necessarily break gauge invariance but, in a covariant gauge, one recovers gauge invariance to all orders in perturbation theory by including suitable counterterms. At the nonperturbative level, an apparent conflict then arises between the chiral U(1) symmetry of the regularized theory and the existence of ’t Hooft vertices in the renormalized theory. The only possible resolution of the paradox is that the chiral U(1) symmetry is broken spontaneously in the enlarged Hilbert space of the covariantly gauge-fixed theory. The corresponding Goldstone pole is unphysical. The theory must therefore be defined by introducing a small fermion-mass term that breaks explicitly the chiral U(1) invariance and is sent to zero after the infinite-volume limit has been taken. Using this careful definition (and a lattice regularization) for the calculation of correlation functions in the one-instanton sector, we show that the ’t Hooft vertices are recovered as expected.

Stochastic multi-reference perturbation theory with application to the linearized coupled cluster method

NASA Astrophysics Data System (ADS)

Jeanmairet, Guillaume; Sharma, Sandeep; Alavi, Ali

2017-01-01

In this article we report a stochastic evaluation of the recently proposed multireference linearized coupled cluster theory [S. Sharma and A. Alavi, J. Chem. Phys. 143, 102815 (2015)]. In this method, both the zeroth-order and first-order wavefunctions are sampled stochastically by propagating simultaneously two populations of signed walkers. The sampling of the zeroth-order wavefunction follows a set of stochastic processes identical to the one used in the full configuration interaction quantum Monte Carlo (FCIQMC) method. To sample the first-order wavefunction, the usual FCIQMC algorithm is augmented with a source term that spawns walkers in the sampled first-order wavefunction from the zeroth-order wavefunction. The second-order energy is also computed stochastically but requires no additional overhead outside of the added cost of sampling the first-order wavefunction. This fully stochastic method opens up the possibility of simultaneously treating large active spaces to account for static correlation and recovering the dynamical correlation using perturbation theory. The method is used to study a few benchmark systems including the carbon dimer and aromatic molecules. We have computed the singlet-triplet gaps of benzene and m-xylylene. For m-xylylene, which has proved difficult for standard complete active space self consistent field theory with perturbative correction, we find the singlet-triplet gap to be in good agreement with the experimental values.

Proper time regularization and the QCD chiral phase transition

PubMed Central

Cui, Zhu-Fang; Zhang, Jin-Li; Zong, Hong-Shi

2017-01-01

We study the QCD chiral phase transition at finite temperature and finite quark chemical potential within the two flavor Nambu–Jona-Lasinio (NJL) model, where a generalization of the proper-time regularization scheme is motivated and implemented. We find that in the chiral limit the whole transition line in the phase diagram is of second order, whereas for finite quark masses a crossover is observed. Moreover, if we take into account the influence of quark condensate to the coupling strength (which also provides a possible way of how the effective coupling varies with temperature and quark chemical potential), it is found that a CEP may appear. These findings differ substantially from other NJL results which use alternative regularization schemes, some explanation and discussion are given at the end. This indicates that the regularization scheme can have a dramatic impact on the study of the QCD phase transition within the NJL model. PMID:28401889

New vision based navigation clue for a regular colonoscope's tip

NASA Astrophysics Data System (ADS)

Mekaouar, Anouar; Ben Amar, Chokri; Redarce, Tanneguy

2009-02-01

Regular colonoscopy has always been regarded as a complicated procedure requiring a tremendous amount of skill to be safely performed. In deed, the practitioner needs to contend with both the tortuousness of the colon and the mastering of a colonoscope. So, he has to take the visual data acquired by the scope's tip into account and rely mostly on his common sense and skill to steer it in a fashion promoting a safe insertion of the device's shaft. In that context, we do propose a new navigation clue for the tip of regular colonoscope in order to assist surgeons over a colonoscopic examination. Firstly, we consider a patch of the inner colon depicted in a regular colonoscopy frame. Then we perform a sketchy 3D reconstruction of the corresponding 2D data. Furthermore, a suggested navigation trajectory ensued on the basis of the obtained relief. The visible and invisible lumen cases are considered. Due to its low cost reckoning, such strategy would allow for the intraoperative configuration changes and thus cut back the non-rigidity effect of the colon. Besides, it would have the trend to provide a safe navigation trajectory through the whole colon, since this approach is aiming at keeping the extremity of the instrument as far as possible from the colon wall during navigation. In order to make effective the considered process, we replaced the original manual control system of a regular colonoscope by a motorized one allowing automatic pan and tilt motions of the device's tip.

First-order approximation for the pressure-flow relationship of spontaneously contracting lymphangions.

PubMed

Quick, Christopher M; Venugopal, Arun M; Dongaonkar, Ranjeet M; Laine, Glen A; Stewart, Randolph H

2008-05-01

To return lymph to the great veins of the neck, it must be actively pumped against a pressure gradient. Mean lymph flow in a portion of a lymphatic network has been characterized by an empirical relationship (P(in) - P(out) = -P(p) + R(L)Q(L)), where P(in) - P(out) is the axial pressure gradient and Q(L) is mean lymph flow. R(L) and P(p) are empirical parameters characterizing the effective lymphatic resistance and pump pressure, respectively. The relation of these global empirical parameters to the properties of lymphangions, the segments of a lymphatic vessel bounded by valves, has been problematic. Lymphangions have a structure like blood vessels but cyclically contract like cardiac ventricles; they are characterized by a contraction frequency (f) and the slopes of the end-diastolic pressure-volume relationship [minimum value of resulting elastance (E(min))] and end-systolic pressure-volume relationship [maximum value of resulting elastance (E(max))]. Poiseuille's law provides a first-order approximation relating the pressure-flow relationship to the fundamental properties of a blood vessel. No analogous formula exists for a pumping lymphangion. We therefore derived an algebraic formula predicting lymphangion flow from fundamental physical principles and known lymphangion properties. Quantitative analysis revealed that lymph inertia and resistance to lymph flow are negligible and that lymphangions act like a series of interconnected ventricles. For a single lymphangion, P(p) = P(in) (E(max) - E(min))/E(min) and R(L) = E(max)/f. The formula was tested against a validated, realistic mathematical model of a lymphangion and found to be accurate. Predicted flows were within the range of flows measured in vitro. The present work therefore provides a general solution that makes it possible to relate fundamental lymphangion properties to lymphatic system function.

Variationally consistent approximation scheme for charge transfer

NASA Technical Reports Server (NTRS)

Halpern, A. M.

1978-01-01

The author has developed a technique for testing various charge-transfer approximation schemes for consistency with the requirements of the Kohn variational principle for the amplitude to guarantee that the amplitude is correct to second order in the scattering wave functions. Applied to Born-type approximations for charge transfer it allows the selection of particular groups of first-, second-, and higher-Born-type terms that obey the consistency requirement, and hence yield more reliable approximation to the amplitude.

Uniform analytic approximation of Wigner rotation matrices

NASA Astrophysics Data System (ADS)

Hoffmann, Scott E.

2018-02-01

We derive the leading asymptotic approximation, for low angle θ, of the Wigner rotation matrix elements, dm1m2 j(θ ) , uniform in j, m1, and m2. The result is in terms of a Bessel function of integer order. We numerically investigate the error for a variety of cases and find that the approximation can be useful over a significant range of angles. This approximation has application in the partial wave analysis of wavepacket scattering.

Detecting regular sound changes in linguistics as events of concerted evolution

DOE PAGES

Hruschka, Daniel  J.; Branford, Simon; Smith, Eric  D.; ...

2014-12-18

Background: Concerted evolution is normally used to describe parallel changes at different sites in a genome, but it is also observed in languages where a specific phoneme changes to the same other phoneme in many words in the lexicon—a phenomenon known as regular sound change. We develop a general statistical model that can detect concerted changes in aligned sequence data and apply it to study regular sound changes in the Turkic language family. Results: Linguistic evolution, unlike the genetic substitutional process, is dominated by events of concerted evolutionary change. Our model identified more than 70 historical events of regular soundmore » change that occurred throughout the evolution of the Turkic language family, while simultaneously inferring a dated phylogenetic tree. Including regular sound changes yielded an approximately 4-fold improvement in the characterization of linguistic change over a simpler model of sporadic change, improved phylogenetic inference, and returned more reliable and plausible dates for events on the phylogenies. The historical timings of the concerted changes closely follow a Poisson process model, and the sound transition networks derived from our model mirror linguistic expectations. Conclusions: We demonstrate that a model with no prior knowledge of complex concerted or regular changes can nevertheless infer the historical timings and genealogical placements of events of concerted change from the signals left in contemporary data. Our model can be applied wherever discrete elements—such as genes, words, cultural trends, technologies, or morphological traits—can change in parallel within an organism or other evolving group.« less

Detecting regular sound changes in linguistics as events of concerted evolution.

PubMed

Hruschka, Daniel J; Branford, Simon; Smith, Eric D; Wilkins, Jon; Meade, Andrew; Pagel, Mark; Bhattacharya, Tanmoy

2015-01-05

Concerted evolution is normally used to describe parallel changes at different sites in a genome, but it is also observed in languages where a specific phoneme changes to the same other phoneme in many words in the lexicon—a phenomenon known as regular sound change. We develop a general statistical model that can detect concerted changes in aligned sequence data and apply it to study regular sound changes in the Turkic language family. Linguistic evolution, unlike the genetic substitutional process, is dominated by events of concerted evolutionary change. Our model identified more than 70 historical events of regular sound change that occurred throughout the evolution of the Turkic language family, while simultaneously inferring a dated phylogenetic tree. Including regular sound changes yielded an approximately 4-fold improvement in the characterization of linguistic change over a simpler model of sporadic change, improved phylogenetic inference, and returned more reliable and plausible dates for events on the phylogenies. The historical timings of the concerted changes closely follow a Poisson process model, and the sound transition networks derived from our model mirror linguistic expectations. We demonstrate that a model with no prior knowledge of complex concerted or regular changes can nevertheless infer the historical timings and genealogical placements of events of concerted change from the signals left in contemporary data. Our model can be applied wherever discrete elements—such as genes, words, cultural trends, technologies, or morphological traits—can change in parallel within an organism or other evolving group. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Detecting regular sound changes in linguistics as events of concerted evolution

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

Hruschka, Daniel  J.; Branford, Simon; Smith, Eric  D.

Background: Concerted evolution is normally used to describe parallel changes at different sites in a genome, but it is also observed in languages where a specific phoneme changes to the same other phoneme in many words in the lexicon—a phenomenon known as regular sound change. We develop a general statistical model that can detect concerted changes in aligned sequence data and apply it to study regular sound changes in the Turkic language family. Results: Linguistic evolution, unlike the genetic substitutional process, is dominated by events of concerted evolutionary change. Our model identified more than 70 historical events of regular soundmore » change that occurred throughout the evolution of the Turkic language family, while simultaneously inferring a dated phylogenetic tree. Including regular sound changes yielded an approximately 4-fold improvement in the characterization of linguistic change over a simpler model of sporadic change, improved phylogenetic inference, and returned more reliable and plausible dates for events on the phylogenies. The historical timings of the concerted changes closely follow a Poisson process model, and the sound transition networks derived from our model mirror linguistic expectations. Conclusions: We demonstrate that a model with no prior knowledge of complex concerted or regular changes can nevertheless infer the historical timings and genealogical placements of events of concerted change from the signals left in contemporary data. Our model can be applied wherever discrete elements—such as genes, words, cultural trends, technologies, or morphological traits—can change in parallel within an organism or other evolving group.« less

Block correlated second order perturbation theory with a generalized valence bond reference function.

PubMed

Xu, Enhua; Li, Shuhua

2013-11-07

The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a "multi-orbital" block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Mo̸ller-Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods.

Regularized wave equation migration for imaging and data reconstruction

NASA Astrophysics Data System (ADS)

Kaplan, Sam T.

The reflection seismic experiment results in a measurement (reflection seismic data) of the seismic wavefield. The linear Born approximation to the seismic wavefield leads to a forward modelling operator that we use to approximate reflection seismic data in terms of a scattering potential. We consider approximations to the scattering potential using two methods: the adjoint of the forward modelling operator (migration), and regularized numerical inversion using the forward and adjoint operators. We implement two parameterizations of the forward modelling and migration operators: source-receiver and shot-profile. For both parameterizations, we find requisite Green's function using the split-step approximation. We first develop the forward modelling operator, and then find the adjoint (migration) operator by recognizing a Fredholm integral equation of the first kind. The resulting numerical system is generally under-determined, requiring prior information to find a solution. In source-receiver migration, the parameterization of the scattering potential is understood using the migration imaging condition, and this encourages us to apply sparse prior models to the scattering potential. To that end, we use both a Cauchy prior and a mixed Cauchy-Gaussian prior, finding better resolved estimates of the scattering potential than are given by the adjoint. In shot-profile migration, the parameterization of the scattering potential has its redundancy in multiple active energy sources (i.e. shots). We find that a smallest model regularized inverse representation of the scattering potential gives a more resolved picture of the earth, as compared to the simpler adjoint representation. The shot-profile parameterization allows us to introduce a joint inversion to further improve the estimate of the scattering potential. Moreover, it allows us to introduce a novel data reconstruction algorithm so that limited data can be interpolated/extrapolated. The linearized operators are

An Expansion Formula with Higher-Order Derivatives for Fractional Operators of Variable Order

PubMed Central

Almeida, Ricardo

2013-01-01

We obtain approximation formulas for fractional integrals and derivatives of Riemann-Liouville and Marchaud types with a variable fractional order. The approximations involve integer-order derivatives only. An estimation for the error is given. The efficiency of the approximation method is illustrated with examples. As applications, we show how the obtained results are useful to solve differential equations, and problems of the calculus of variations that depend on fractional derivatives of Marchaud type. PMID:24319382

Approximating smooth functions using algebraic-trigonometric polynomials

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

Sharapudinov, Idris I

2011-01-14

The problem under consideration is that of approximating classes of smooth functions by algebraic-trigonometric polynomials of the form p{sub n}(t)+{tau}{sub m}(t), where p{sub n}(t) is an algebraic polynomial of degree n and {tau}{sub m}(t)=a{sub 0}+{Sigma}{sub k=1}{sup m}a{sub k} cos k{pi}t + b{sub k} sin k{pi}t is a trigonometric polynomial of order m. The precise order of approximation by such polynomials in the classes W{sup r}{sub {infinity}(}M) and an upper bound for similar approximations in the class W{sup r}{sub p}(M) with 4/3

The spatial configuration of ordered polynucleotide chains. II. The poly(rA) helix.

PubMed Central

Olson, W K

1975-01-01

Approximate details of the spatial configuration of the ordered single-stranded poly(rA) molecule in dilute solution have been obtained in a combined theoretical analysis of base stacking and chain flexibility. Only those regularly repeating structures which fulfill the criterion of conformational flexibility (based upon all available experimental and theoretical evidence of preferred bond rotations) and which also exhibit the right-handed base stacking pattern observed in nmr investigations of poly(rA) are deemed suitable single-stranded helices. In addition, the helical geometry of the stacked structures is required to be consistent with the experimentally observed dimensions of both completely ordered and partially ordered poly(rA) chains. Only a single category of poly(rA) helices (very similar in all conformational details to the individual chains of the poly(rA) double-stranded X-ray structure) is thus obtained. Other conformationally feasible polynucleotide helices characterized simply by a parallel and overlapping base stacking arrangement are also discussed. PMID:1052529

Optical tomography by means of regularized MLEM

NASA Astrophysics Data System (ADS)

Majer, Charles L.; Urbanek, Tina; Peter, Jörg

2015-09-01

To solve the inverse problem involved in fluorescence mediated tomography a regularized maximum likelihood expectation maximization (MLEM) reconstruction strategy is proposed. This technique has recently been applied to reconstruct galaxy clusters in astronomy and is adopted here. The MLEM algorithm is implemented as Richardson-Lucy (RL) scheme and includes entropic regularization and a floating default prior. Hence, the strategy is very robust against measurement noise and also avoids converging into noise patterns. Normalized Gaussian filtering with fixed standard deviation is applied for the floating default kernel. The reconstruction strategy is investigated using the XFM-2 homogeneous mouse phantom (Caliper LifeSciences Inc., Hopkinton, MA) with known optical properties. Prior to optical imaging, X-ray CT tomographic data of the phantom were acquire to provide structural context. Phantom inclusions were fit with various fluorochrome inclusions (Cy5.5) for which optical data at 60 projections over 360 degree have been acquired, respectively. Fluorochrome excitation has been accomplished by scanning laser point illumination in transmission mode (laser opposite to camera). Following data acquisition, a 3D triangulated mesh is derived from the reconstructed CT data which is then matched with the various optical projection images through 2D linear interpolation, correlation and Fourier transformation in order to assess translational and rotational deviations between the optical and CT imaging systems. Preliminary results indicate that the proposed regularized MLEM algorithm, when driven with a constant initial condition, yields reconstructed images that tend to be smoother in comparison to classical MLEM without regularization. Once the floating default prior is included this bias was significantly reduced.

Computational aspects of pseudospectral Laguerre approximations

NASA Technical Reports Server (NTRS)

Funaro, Daniele

1989-01-01

Pseudospectral approximations in unbounded domains by Laguerre polynomials lead to ill-conditioned algorithms. Introduced are a scaling function and appropriate numerical procedures in order to limit these unpleasant phenomena.

75 FR 7480 - Farm Credit Administration Board; Sunshine Act; Regular Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-19

... weather in the Washington DC metropolitan area. Date and Time: The regular meeting of the Board will now... INFORMATION: This meeting of the Board will be open to the public (limited space available). In order to...

Genus Ranges of 4-Regular Rigid Vertex Graphs

PubMed Central

Buck, Dorothy; Dolzhenko, Egor; Jonoska, Nataša; Saito, Masahico; Valencia, Karin

2016-01-01

A rigid vertex of a graph is one that has a prescribed cyclic order of its incident edges. We study orientable genus ranges of 4-regular rigid vertex graphs. The (orientable) genus range is a set of genera values over all orientable surfaces into which a graph is embedded cellularly, and the embeddings of rigid vertex graphs are required to preserve the prescribed cyclic order of incident edges at every vertex. The genus ranges of 4-regular rigid vertex graphs are sets of consecutive integers, and we address two questions: which intervals of integers appear as genus ranges of such graphs, and what types of graphs realize a given genus range. For graphs with 2n vertices (n > 1), we prove that all intervals [a, b] for all a < b ≤ n, and singletons [h, h] for some h ≤ n, are realized as genus ranges. For graphs with 2n − 1 vertices (n ≥ 1), we prove that all intervals [a, b] for all a < b ≤ n except [0, n], and [h, h] for some h ≤ n, are realized as genus ranges. We also provide constructions of graphs that realize these ranges. PMID:27807395

Temporal sparsity exploiting nonlocal regularization for 4D computed tomography reconstruction

PubMed Central

Kazantsev, Daniil; Guo, Enyu; Kaestner, Anders; Lionheart, William R. B.; Bent, Julian; Withers, Philip J.; Lee, Peter D.

2016-01-01

X-ray imaging applications in medical and material sciences are frequently limited by the number of tomographic projections collected. The inversion of the limited projection data is an ill-posed problem and needs regularization. Traditional spatial regularization is not well adapted to the dynamic nature of time-lapse tomography since it discards the redundancy of the temporal information. In this paper, we propose a novel iterative reconstruction algorithm with a nonlocal regularization term to account for time-evolving datasets. The aim of the proposed nonlocal penalty is to collect the maximum relevant information in the spatial and temporal domains. With the proposed sparsity seeking approach in the temporal space, the computational complexity of the classical nonlocal regularizer is substantially reduced (at least by one order of magnitude). The presented reconstruction method can be directly applied to various big data 4D (x, y, z+time) tomographic experiments in many fields. We apply the proposed technique to modelled data and to real dynamic X-ray microtomography (XMT) data of high resolution. Compared to the classical spatio-temporal nonlocal regularization approach, the proposed method delivers reconstructed images of improved resolution and higher contrast while remaining significantly less computationally demanding. PMID:27002902

sdg Interacting boson hamiltonian in the seniority scheme

NASA Astrophysics Data System (ADS)

Yoshinaga, N.

1989-03-01

The sdg interacting boson hamiltonian is derived in the seniority scheme. We use the method of Otsuka, Arima and Iachello in order to derive the boson hamiltonian from the fermion hamiltonian. To examine how good is the boson approximation in the zeroth-order, we carry out the exact shell model calculations in a single j-shell. It is found that almost all low-lying levels are reproduced quite well by diagonalizing the sdg interacting boson hamiltonian in the vibrational case. In the deformed case the introduction of g-bosons improves the reproduction of the spectra and of the binding energies which are obtained by diagonalizing the exact shell model hamiltonian. In particular the sdg interacting boson model reproduces well-developed rotational bands.

Global Regularity for the Fractional Euler Alignment System

NASA Astrophysics Data System (ADS)

Do, Tam; Kiselev, Alexander; Ryzhik, Lenya; Tan, Changhui

2018-04-01

We study a pressureless Euler system with a non-linear density-dependent alignment term, originating in the Cucker-Smale swarming models. The alignment term is dissipative in the sense that it tends to equilibrate the velocities. Its density dependence is natural: the alignment rate increases in the areas of high density due to species discomfort. The diffusive term has the order of a fractional Laplacian {(-partial _{xx})^{α/2}, α \\in (0, 1)}. The corresponding Burgers equation with a linear dissipation of this type develops shocks in a finite time. We show that the alignment nonlinearity enhances the dissipation, and the solutions are globally regular for all {α \\in (0, 1)}. To the best of our knowledge, this is the first example of such regularization due to the non-local nonlinear modulation of dissipation.

Construction and accuracy of partial differential equation approximations to the chemical master equation.

PubMed

Grima, Ramon

2011-11-01

The mesoscopic description of chemical kinetics, the chemical master equation, can be exactly solved in only a few simple cases. The analytical intractability stems from the discrete character of the equation, and hence considerable effort has been invested in the development of Fokker-Planck equations, second-order partial differential equation approximations to the master equation. We here consider two different types of higher-order partial differential approximations, one derived from the system-size expansion and the other from the Kramers-Moyal expansion, and derive the accuracy of their predictions for chemical reactive networks composed of arbitrary numbers of unimolecular and bimolecular reactions. In particular, we show that the partial differential equation approximation of order Q from the Kramers-Moyal expansion leads to estimates of the mean number of molecules accurate to order Ω(-(2Q-3)/2), of the variance of the fluctuations in the number of molecules accurate to order Ω(-(2Q-5)/2), and of skewness accurate to order Ω(-(Q-2)). We also show that for large Q, the accuracy in the estimates can be matched only by a partial differential equation approximation from the system-size expansion of approximate order 2Q. Hence, we conclude that partial differential approximations based on the Kramers-Moyal expansion generally lead to considerably more accurate estimates in the mean, variance, and skewness than approximations of the same order derived from the system-size expansion.

A comparative study of Laplacians and Schroedinger- Lichnerowicz-Weitzenboeck identities in Riemannian and antisymplectic geometry

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

Batalin, Igor A.; I.E. Tamm Theory Division, P.N. Lebedev Physics Institute, Russian Academy of Sciences, 53 Leninsky Prospect, Moscow 119991; Bering, Klaus

2009-07-15

We introduce an antisymplectic Dirac operator and antisymplectic gamma matrices. We explore similarities between, on one hand, the Schroedinger-Lichnerowicz formula for spinor bundles in Riemannian spin geometry, which contains a zeroth-order term proportional to the Levi-Civita scalar curvature, and, on the other hand, the nilpotent, Grassmann-odd, second-order {delta} operator in antisymplectic geometry, which, in general, has a zeroth-order term proportional to the odd scalar curvature of an arbitrary antisymplectic and torsion-free connection that is compatible with the measure density. Finally, we discuss the close relationship with the two-loop scalar curvature term in the quantum Hamiltonian for a particle in amore » curved Riemannian space.« less

High order filtering methods for approximating hyberbolic systems of conservation laws

NASA Technical Reports Server (NTRS)

Lafon, F.; Osher, S.

1990-01-01

In the computation of discontinuous solutions of hyperbolic systems of conservation laws, the recently developed essentially non-oscillatory (ENO) schemes appear to be very useful. However, they are computationally costly compared to simple central difference methods. A filtering method which is developed uses simple central differencing of arbitrarily high order accuracy, except when a novel local test indicates the development of spurious oscillations. At these points, the full ENO apparatus is used, maintaining the high order of accuracy, but removing spurious oscillations. Numerical results indicate the success of the method. High order of accuracy was obtained in regions of smooth flow without spurious oscillations for a wide range of problems and a significant speed up of generally a factor of almost three over the full ENO method.

CMB-lensing beyond the Born approximation

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

Marozzi, Giovanni; Fanizza, Giuseppe; Durrer, Ruth

2016-09-01

We investigate the weak lensing corrections to the cosmic microwave background temperature anisotropies considering effects beyond the Born approximation. To this aim, we use the small deflection angle approximation, to connect the lensed and unlensed power spectra, via expressions for the deflection angles up to third order in the gravitational potential. While the small deflection angle approximation has the drawback to be reliable only for multipoles ℓ ∼< 2500, it allows us to consistently take into account the non-Gaussian nature of cosmological perturbation theory beyond the linear level. The contribution to the lensed temperature power spectrum coming from the non-Gaussianmore » nature of the deflection angle at higher order is a new effect which has not been taken into account in the literature so far. It turns out to be the leading contribution among the post-Born lensing corrections. On the other hand, the effect is smaller than corrections coming from non-linearities in the matter power spectrum, and its imprint on CMB lensing is too small to be seen in present experiments.« less

Ca-Rich Carbonate Melts: A Regular-Solution Model, with Applications to Carbonatite Magma + Vapor Equilibria and Carbonate Lavas on Venus

NASA Technical Reports Server (NTRS)

Treiman, Allan H.

1995-01-01

A thermochemical model of the activities of species in carbonate-rich melts would be useful in quantifying chemical equilibria between carbonatite magmas and vapors and in extrapolating liquidus equilibria to unexplored PTX. A regular-solution model of Ca-rich carbonate melts is developed here, using the fact that they are ionic liquids, and can be treated (to a first approximation) as interpenetrating regular solutions of cations and of anions. Thermochemical data on systems of alkali metal cations with carbonate and other anions are drawn from the literature; data on systems with alkaline earth (and other) cations and carbonate (and other) anions are derived here from liquidus phase equilibria. The model is validated in that all available data (at 1 kbar) are consistent with single values for the melting temperature and heat of fusion for calcite, and all liquidi are consistent with the liquids acting as regular solutions. At 1 kbar, the metastable congruent melting temperature of calcite (CaCO3) is inferred to be 1596 K, with (Delta)bar-H(sub fus)(calcite) = 31.5 +/- 1 kJ/mol. Regular solution interaction parameters (W) for Ca(2+) and alkali metal cations are in the range -3 to -12 kJ/sq mol; W for Ca(2+)-Ba(2+) is approximately -11 kJ/sq mol; W for Ca(2+)-Mg(2+) is approximately -40 kJ/sq mol, and W for Ca(2+)-La(3+) is approximately +85 kJ/sq mol. Solutions of carbonate and most anions (including OH(-), F(-), and SO4(2-)) are nearly ideal, with W between 0(ideal) and -2.5 kJ/sq mol. The interaction of carbonate and phosphate ions is strongly nonideal, which is consistent with the suggestion of carbonate-phosphate liquid immiscibility. Interaction of carbonate and sulfide ions is also nonideal and suggestive of carbonate-sulfide liquid immiscibility. Solution of H2O, for all but the most H2O-rich compositions, can be modeled as a disproportionation to hydronium (H3O(+)) and hydroxyl (OH(-)) ions with W for Ca(2+)-H3O(+) (approximately) equals 33 kJ/sq mol. The

Anomalous resonances of an optical microcavity with a hyperbolic metamaterial core

NASA Astrophysics Data System (ADS)

Travkin, Evgenij; Kiel, Thomas; Sadofev, Sergey; Busch, Kurt; Benson, Oliver; Kalusniak, Sascha

2018-05-01

We embed a hyperbolic metamaterial based on stacked layer pairs of epitaxially grown ZnO/ZnO:Ga in a monolithic optical microcavity, and we investigate the arising unique resonant effects experimentally and theoretically. Unlike traditional metals, the semiconductor-based approach allows us to utilize all three permittivity regions of the hyperbolic metamaterial in the near-infrared spectral range. This configuration gives rise to modes of identical orders appearing at different frequencies, a zeroth-order resonance in an all-positive permittivity region, and a continuum of high-order modes. In addition, an unusual lower cutoff frequency is introduced to the resonator mode spectrum. The observed effects expand the possibilities for customization of optical resonators; in particular, the zeroth-order and high-order modes hold strong potential for the realization of deeply subwavelength cavity sizes.

Image deblurring based on nonlocal regularization with a non-convex sparsity constraint

NASA Astrophysics Data System (ADS)

Zhu, Simiao; Su, Zhenming; Li, Lian; Yang, Yi

2018-04-01

In recent years, nonlocal regularization methods for image restoration (IR) have drawn more and more attention due to the promising results obtained when compared to the traditional local regularization methods. Despite the success of this technique, in order to obtain computational efficiency, a convex regularizing functional is exploited in most existing methods, which is equivalent to imposing a convex prior on the nonlocal difference operator output. However, our conducted experiment illustrates that the empirical distribution of the output of the nonlocal difference operator especially in the seminal work of Kheradmand et al. should be characterized with an extremely heavy-tailed distribution rather than a convex distribution. Therefore, in this paper, we propose a nonlocal regularization-based method with a non-convex sparsity constraint for image deblurring. Finally, an effective algorithm is developed to solve the corresponding non-convex optimization problem. The experimental results demonstrate the effectiveness of the proposed method.

Nonlinear image registration with bidirectional metric and reciprocal regularization

PubMed Central

Ying, Shihui; Li, Dan; Xiao, Bin; Peng, Yaxin; Du, Shaoyi; Xu, Meifeng

2017-01-01

Nonlinear registration is an important technique to align two different images and widely applied in medical image analysis. In this paper, we develop a novel nonlinear registration framework based on the diffeomorphic demons, where a reciprocal regularizer is introduced to assume that the deformation between two images is an exact diffeomorphism. In detail, first, we adopt a bidirectional metric to improve the symmetry of the energy functional, whose variables are two reciprocal deformations. Secondly, we slack these two deformations into two independent variables and introduce a reciprocal regularizer to assure the deformations being the exact diffeomorphism. Then, we utilize an alternating iterative strategy to decouple the model into two minimizing subproblems, where a new closed form for the approximate velocity of deformation is calculated. Finally, we compare our proposed algorithm on two data sets of real brain MR images with two relative and conventional methods. The results validate that our proposed method improves accuracy and robustness of registration, as well as the gained bidirectional deformations are actually reciprocal. PMID:28231342

Regularized Dual Averaging Image Reconstruction for Full-Wave Ultrasound Computed Tomography.

PubMed

Matthews, Thomas P; Wang, Kun; Li, Cuiping; Duric, Neb; Anastasio, Mark A

2017-05-01

Ultrasound computed tomography (USCT) holds great promise for breast cancer screening. Waveform inversion-based image reconstruction methods account for higher order diffraction effects and can produce high-resolution USCT images, but are computationally demanding. Recently, a source encoding technique has been combined with stochastic gradient descent (SGD) to greatly reduce image reconstruction times. However, this method bundles the stochastic data fidelity term with the deterministic regularization term. This limitation can be overcome by replacing SGD with a structured optimization method, such as the regularized dual averaging method, that exploits knowledge of the composition of the cost function. In this paper, the dual averaging method is combined with source encoding techniques to improve the effectiveness of regularization while maintaining the reduced reconstruction times afforded by source encoding. It is demonstrated that each iteration can be decomposed into a gradient descent step based on the data fidelity term and a proximal update step corresponding to the regularization term. Furthermore, the regularization term is never explicitly differentiated, allowing nonsmooth regularization penalties to be naturally incorporated. The wave equation is solved by the use of a time-domain method. The effectiveness of this approach is demonstrated through computer simulation and experimental studies. The results suggest that the dual averaging method can produce images with less noise and comparable resolution to those obtained by the use of SGD.

A comprehensive comparison between thermodynamic perturbation theory and first-order mean spherical approximation: Based on discrete potentials with hard core

NASA Astrophysics Data System (ADS)

Zhou, Shiqi; Zhou, Run

2017-08-01

Using the TL (Tang and Lu, 1993) method, Ornstein-Zernike integral equation is solved perturbatively under the mean spherical approximation (MSA) for fluid with potential consisting of a hard sphere plus square-well plus square-shoulder (HS + SW + SS) to obtain first-order analytic expressions of radial distribution function (RDF), second-order direct correlation function, and semi-analytic expressions for common thermodynamic properties. A comprehensive comparison between the first-order MSA and high temperature series expansion (HTSE) to third-, fifth- and seventh-order is performed over a wide parameter range for both a HS + SW and the HS + SW + SS model fluids by using corresponding ;exact; Monte Carlo results as a reference; although the HTSE is carried out up to seventh-order, and not to the first order as the first-order MSA the comparison is considered fair from a calculation complexity perspective. It is found that the performance of the first-order MSA is dramatically model-dependent: as target potentials go from the HS + SW to the HS + SW + SS, (i) there is a dramatic dropping of performance of the first-order MSA expressions in calculating the thermodynamic properties, especially both the excess internal energy and constant volume excess heat capacity of the HS + SW + SS model cannot be predicted even qualitatively correctly. (ii) One tendency is noticed that the first-order MSA gets more reliable with increasing temperatures in dealing with the pressure, excess Helmholtz free energy, excess enthalpy and excess chemical potential. (iii) Concerning the RDF, the first-order MSA is not as disappointing as it displays in the cases of thermodynamics. (iv) In the case of the HS + SW model, the first-order MSA solution is shown to be quantitatively correct in calculating the pressure and excess chemical potential even if the reduced temperatures are as low as 0.8. On the other hand, the seventh-order HTSE is less model-dependent; in most cases of the HS + SW

The impact of comorbid cannabis and methamphetamine use on mental health among regular ecstasy users.

PubMed

Scott, Laura A; Roxburgh, Amanda; Bruno, Raimondo; Matthews, Allison; Burns, Lucy

2012-09-01

Residual effects of ecstasy use induce neurotransmitter changes that make it biologically plausible that extended use of the drug may induce psychological distress. However, there has been only mixed support for this in the literature. The presence of polysubstance use is a confounding factor. The aim of this study was to investigate whether regular cannabis and/or regular methamphetamine use confers additional risk of poor mental health and high levels of psychological distress, beyond regular ecstasy use alone. Three years of data from a yearly, cross-sectional, quantitative survey of Australian regular ecstasy users was examined. Participants were divided into four groups according to whether they regularly (at least monthly) used ecstasy only (n=936), ecstasy and weekly cannabis (n=697), ecstasy and weekly methamphetamine (n=108) or ecstasy, weekly cannabis and weekly methamphetamine (n=180). Self-reported mental health problems and Kessler Psychological Distress Scale (K10) were examined. Approximately one-fifth of participants self-reported at least one mental health problem, most commonly depression and anxiety. The addition of regular cannabis and/or methamphetamine use substantially increases the likelihood of self-reported mental health problems, particularly with regard to paranoia, over regular ecstasy use alone. Regular cannabis use remained significantly associated with self reported mental health problems even when other differences between groups were accounted for. Regular cannabis and methamphetamine use was also associated with earlier initiation to ecstasy use. These findings suggest that patterns of drug use can help identify at risk groups that could benefit from targeted approaches in education and interventions. Given that early initiation to substance use was more common in those with regular cannabis and methamphetamine use and given that this group had a higher likelihood of mental health problems, work around delaying onset of initiation

Monotonically improving approximate answers to relational algebra queries

NASA Technical Reports Server (NTRS)

Smith, Kenneth P.; Liu, J. W. S.

1989-01-01

We present here a query processing method that produces approximate answers to queries posed in standard relational algebra. This method is monotone in the sense that the accuracy of the approximate result improves with the amount of time spent producing the result. This strategy enables us to trade the time to produce the result for the accuracy of the result. An approximate relational model that characterizes appromimate relations and a partial order for comparing them is developed. Relational operators which operate on and return approximate relations are defined.

GIFTed Demons: deformable image registration with local structure-preserving regularization using supervoxels for liver applications

PubMed Central

Gleeson, Fergus V.; Brady, Michael; Schnabel, Julia A.

2018-01-01

Abstract. Deformable image registration, a key component of motion correction in medical imaging, needs to be efficient and provides plausible spatial transformations that reliably approximate biological aspects of complex human organ motion. Standard approaches, such as Demons registration, mostly use Gaussian regularization for organ motion, which, though computationally efficient, rule out their application to intrinsically more complex organ motions, such as sliding interfaces. We propose regularization of motion based on supervoxels, which provides an integrated discontinuity preserving prior for motions, such as sliding. More precisely, we replace Gaussian smoothing by fast, structure-preserving, guided filtering to provide efficient, locally adaptive regularization of the estimated displacement field. We illustrate the approach by applying it to estimate sliding motions at lung and liver interfaces on challenging four-dimensional computed tomography (CT) and dynamic contrast-enhanced magnetic resonance imaging datasets. The results show that guided filter-based regularization improves the accuracy of lung and liver motion correction as compared to Gaussian smoothing. Furthermore, our framework achieves state-of-the-art results on a publicly available CT liver dataset. PMID:29662918

GIFTed Demons: deformable image registration with local structure-preserving regularization using supervoxels for liver applications.

PubMed

Papież, Bartłomiej W; Franklin, James M; Heinrich, Mattias P; Gleeson, Fergus V; Brady, Michael; Schnabel, Julia A

2018-04-01

Deformable image registration, a key component of motion correction in medical imaging, needs to be efficient and provides plausible spatial transformations that reliably approximate biological aspects of complex human organ motion. Standard approaches, such as Demons registration, mostly use Gaussian regularization for organ motion, which, though computationally efficient, rule out their application to intrinsically more complex organ motions, such as sliding interfaces. We propose regularization of motion based on supervoxels, which provides an integrated discontinuity preserving prior for motions, such as sliding. More precisely, we replace Gaussian smoothing by fast, structure-preserving, guided filtering to provide efficient, locally adaptive regularization of the estimated displacement field. We illustrate the approach by applying it to estimate sliding motions at lung and liver interfaces on challenging four-dimensional computed tomography (CT) and dynamic contrast-enhanced magnetic resonance imaging datasets. The results show that guided filter-based regularization improves the accuracy of lung and liver motion correction as compared to Gaussian smoothing. Furthermore, our framework achieves state-of-the-art results on a publicly available CT liver dataset.

Effective field theory dimensional regularization

NASA Astrophysics Data System (ADS)

Lehmann, Dirk; Prézeau, Gary

2002-01-01

A Lorentz-covariant regularization scheme for effective field theories with an arbitrary number of propagating heavy and light particles is given. This regularization scheme leaves the low-energy analytic structure of Greens functions intact and preserves all the symmetries of the underlying Lagrangian. The power divergences of regularized loop integrals are controlled by the low-energy kinematic variables. Simple diagrammatic rules are derived for the regularization of arbitrary one-loop graphs and the generalization to higher loops is discussed.

Statistical Regularities Attract Attention when Task-Relevant.

PubMed

Alamia, Andrea; Zénon, Alexandre

2016-01-01

Visual attention seems essential for learning the statistical regularities in our environment, a process known as statistical learning. However, how attention is allocated when exploring a novel visual scene whose statistical structure is unknown remains unclear. In order to address this question, we investigated visual attention allocation during a task in which we manipulated the conditional probability of occurrence of colored stimuli, unbeknown to the subjects. Participants were instructed to detect a target colored dot among two dots moving along separate circular paths. We evaluated implicit statistical learning, i.e., the effect of color predictability on reaction times (RTs), and recorded eye position concurrently. Attention allocation was indexed by comparing the Mahalanobis distance between the position, velocity and acceleration of the eyes and the two colored dots. We found that learning the conditional probabilities occurred very early during the course of the experiment as shown by the fact that, starting already from the first block, predictable stimuli were detected with shorter RT than unpredictable ones. In terms of attentional allocation, we found that the predictive stimulus attracted gaze only when it was informative about the occurrence of the target but not when it predicted the occurrence of a task-irrelevant stimulus. This suggests that attention allocation was influenced by regularities only when they were instrumental in performing the task. Moreover, we found that the attentional bias towards task-relevant predictive stimuli occurred at a very early stage of learning, concomitantly with the first effects of learning on RT. In conclusion, these results show that statistical regularities capture visual attention only after a few occurrences, provided these regularities are instrumental to perform the task.

Cloze, Discourse, and Approximations to English.

ERIC Educational Resources Information Center

Oller, John W., Jr.

Five orders of approximation to normal English prose were constructed; 5th, 10th, 25th, 50th, and 100th plus. Five cloze tests were then constructed by inserting blanks for deleted words in 5 word segments (5th order), 10 word segments (10th), 25 word segments (25th), 50 word segments (50th), and 100 word segments of five different passages of…

Regularized Transformation-Optics Cloaking for the Helmholtz Equation: From Partial Cloak to Full Cloak

NASA Astrophysics Data System (ADS)

Li, Jingzhi; Liu, Hongyu; Rondi, Luca; Uhlmann, Gunther

2015-04-01

We develop a very general theory on the regularized approximate invisibility cloaking for the wave scattering governed by the Helmholtz equation in any space dimensions via the approach of transformation optics. There are four major ingredients in our proposed theory: (1) The non-singular cloaking medium is obtained by the push-forwarding construction through a transformation that blows up a subset in the virtual space, where is an asymptotic regularization parameter. will degenerate to K 0 as , and in our theory K 0 could be any convex compact set in , or any set whose boundary consists of Lipschitz hypersurfaces, or a finite combination of those sets. (2) A general lossy layer with the material parameters satisfying certain compatibility integral conditions is employed right between the cloaked and cloaking regions. (3) The contents being cloaked could also be extremely general, possibly including, at the same time, generic mediums and, sound-soft, sound-hard and impedance-type obstacles, as well as some sources or sinks. (4) In order to achieve a cloaking device of compact size, particularly for the case when is not "uniformly small", an assembly-by-components, the (ABC) geometry is developed for both the virtual and physical spaces and the blow-up construction is based on concatenating different components. Within the proposed framework, we show that the scattered wave field corresponding to a cloaking problem will converge to u 0 as , with u 0 being the scattered wave field corresponding to a sound-hard K 0. The convergence result is used to theoretically justify the approximate full and partial invisibility cloaks, depending on the geometry of K 0. On the other hand, the convergence results are conducted in a much more general setting than what is needed for the invisibility cloaking, so they are of significant mathematical interest for their own sake. As for applications, we construct three types of full and partial cloaks. Some numerical experiments are

Incident-beam effects in electron-stimulated Auger-electron diffraction

NASA Astrophysics Data System (ADS)

Gao, Y.; Cao, Jianming

1991-04-01

We have examined incident-beam effects in electron-stimulated Auger-electron diffraction (AED) on a cleaved GaAs(110) surface. The results indicate that incident-beam diffraction is significant in an AED experiment, and that the dissipative nature of the incident beam in contributing to the Auger process must be accounted for. We have developed a qualitative model that describes the trend of the polar-angle dependence of the Auger intensity for both the incident and exit beams. In calculating the diffraction features, we used a zeroth-order approximation to simulate the dissipation of the incident beam, which is found to adequately describe the experimental data.

An analytical technique for approximating unsteady aerodynamics in the time domain

NASA Technical Reports Server (NTRS)

Dunn, H. J.

1980-01-01

An analytical technique is presented for approximating unsteady aerodynamic forces in the time domain. The order of elements of a matrix Pade approximation was postulated, and the resulting polynomial coefficients were determined through a combination of least squares estimates for the numerator coefficients and a constrained gradient search for the denominator coefficients which insures stable approximating functions. The number of differential equations required to represent the aerodynamic forces to a given accuracy tends to be smaller than that employed in certain existing techniques where the denominator coefficients are chosen a priori. Results are shown for an aeroelastic, cantilevered, semispan wing which indicate a good fit to the aerodynamic forces for oscillatory motion can be achieved with a matrix Pade approximation having fourth order numerator and second order denominator polynomials.

Highly Accurate Analytical Approximate Solution to a Nonlinear Pseudo-Oscillator

NASA Astrophysics Data System (ADS)

Wu, Baisheng; Liu, Weijia; Lim, C. W.

2017-07-01

A second-order Newton method is presented to construct analytical approximate solutions to a nonlinear pseudo-oscillator in which the restoring force is inversely proportional to the dependent variable. The nonlinear equation is first expressed in a specific form, and it is then solved in two steps, a predictor and a corrector step. In each step, the harmonic balance method is used in an appropriate manner to obtain a set of linear algebraic equations. With only one simple second-order Newton iteration step, a short, explicit, and highly accurate analytical approximate solution can be derived. The approximate solutions are valid for all amplitudes of the pseudo-oscillator. Furthermore, the method incorporates second-order Taylor expansion in a natural way, and it is of significant faster convergence rate.

Enhanced nearfield acoustic holography for larger distances of reconstructions using fixed parameter Tikhonov regularization

DOE PAGES

Chelliah, Kanthasamy; Raman, Ganesh G.; Muehleisen, Ralph T.

2016-07-07

This paper evaluates the performance of various regularization parameter choice methods applied to different approaches of nearfield acoustic holography when a very nearfield measurement is not possible. For a fixed grid resolution, the larger the hologram distance, the larger the error in the naive nearfield acoustic holography reconstructions. These errors can be smoothed out by using an appropriate order of regularization. In conclusion, this study shows that by using a fixed/manual choice of regularization parameter, instead of automated parameter choice methods, reasonably accurate reconstructions can be obtained even when the hologram distance is 16 times larger than the grid resolution.

Approximate Dispersion Relations for Waves on Arbitrary Shear Flows

NASA Astrophysics Data System (ADS)

Ellingsen, S. À.; Li, Y.

2017-12-01

An approximate dispersion relation is derived and presented for linear surface waves atop a shear current whose magnitude and direction can vary arbitrarily with depth. The approximation, derived to first order of deviation from potential flow, is shown to produce good approximations at all wavelengths for a wide range of naturally occuring shear flows as well as widely used model flows. The relation reduces in many cases to a 3-D generalization of the much used approximation by Skop (1987), developed further by Kirby and Chen (1989), but is shown to be more robust, succeeding in situations where the Kirby and Chen model fails. The two approximations incur the same numerical cost and difficulty. While the Kirby and Chen approximation is excellent for a wide range of currents, the exact criteria for its applicability have not been known. We explain the apparently serendipitous success of the latter and derive proper conditions of applicability for both approximate dispersion relations. Our new model has a greater range of applicability. A second order approximation is also derived. It greatly improves accuracy, which is shown to be important in difficult cases. It has an advantage over the corresponding second-order expression proposed by Kirby and Chen that its criterion of accuracy is explicitly known, which is not currently the case for the latter to our knowledge. Our second-order term is also arguably significantly simpler to implement, and more physically transparent, than its sibling due to Kirby and Chen.