Bayesian B-spline mapping for dynamic quantitative traits.

PubMed

Xing, Jun; Li, Jiahan; Yang, Runqing; Zhou, Xiaojing; Xu, Shizhong

2012-04-01

Owing to their ability and flexibility to describe individual gene expression at different time points, random regression (RR) analyses have become a popular procedure for the genetic analysis of dynamic traits whose phenotypes are collected over time. Specifically, when modelling the dynamic patterns of gene expressions in the RR framework, B-splines have been proved successful as an alternative to orthogonal polynomials. In the so-called Bayesian B-spline quantitative trait locus (QTL) mapping, B-splines are used to characterize the patterns of QTL effects and individual-specific time-dependent environmental errors over time, and the Bayesian shrinkage estimation method is employed to estimate model parameters. Extensive simulations demonstrate that (1) in terms of statistical power, Bayesian B-spline mapping outperforms the interval mapping based on the maximum likelihood; (2) for the simulated dataset with complicated growth curve simulated by B-splines, Legendre polynomial-based Bayesian mapping is not capable of identifying the designed QTLs accurately, even when higher-order Legendre polynomials are considered and (3) for the simulated dataset using Legendre polynomials, the Bayesian B-spline mapping can find the same QTLs as those identified by Legendre polynomial analysis. All simulation results support the necessity and flexibility of B-spline in Bayesian mapping of dynamic traits. The proposed method is also applied to a real dataset, where QTLs controlling the growth trajectory of stem diameters in Populus are located.

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

DOE PAGES

Krogel, Jaron T.; Reboredo, Fernando A.

2018-01-25

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

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

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

Krogel, Jaron T.; Reboredo, Fernando A.

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

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

NASA Astrophysics Data System (ADS)

Krogel, Jaron T.; Reboredo, Fernando A.

2018-01-01

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

An isogeometric boundary element method for electromagnetic scattering with compatible B-spline discretizations

NASA Astrophysics Data System (ADS)

Simpson, R. N.; Liu, Z.; Vázquez, R.; Evans, J. A.

2018-06-01

We outline the construction of compatible B-splines on 3D surfaces that satisfy the continuity requirements for electromagnetic scattering analysis with the boundary element method (method of moments). Our approach makes use of Non-Uniform Rational B-splines to represent model geometry and compatible B-splines to approximate the surface current, and adopts the isogeometric concept in which the basis for analysis is taken directly from CAD (geometry) data. The approach allows for high-order approximations and crucially provides a direct link with CAD data structures that allows for efficient design workflows. After outlining the construction of div- and curl-conforming B-splines defined over 3D surfaces we describe their use with the electric and magnetic field integral equations using a Galerkin formulation. We use Bézier extraction to accelerate the computation of NURBS and B-spline terms and employ H-matrices to provide accelerated computations and memory reduction for the dense matrices that result from the boundary integral discretization. The method is verified using the well known Mie scattering problem posed over a perfectly electrically conducting sphere and the classic NASA almond problem. Finally, we demonstrate the ability of the approach to handle models with complex geometry directly from CAD without mesh generation.

Numerical solution of system of boundary value problems using B-spline with free parameter

NASA Astrophysics Data System (ADS)

Gupta, Yogesh

2017-01-01

This paper deals with method of B-spline solution for a system of boundary value problems. The differential equations are useful in various fields of science and engineering. Some interesting real life problems involve more than one unknown function. These result in system of simultaneous differential equations. Such systems have been applied to many problems in mathematics, physics, engineering etc. In present paper, B-spline and B-spline with free parameter methods for the solution of a linear system of second-order boundary value problems are presented. The methods utilize the values of cubic B-spline and its derivatives at nodal points together with the equations of the given system and boundary conditions, ensuing into the linear matrix equation.

B-spline tight frame based force matching method

NASA Astrophysics Data System (ADS)

Yang, Jianbin; Zhu, Guanhua; Tong, Dudu; Lu, Lanyuan; Shen, Zuowei

2018-06-01

In molecular dynamics simulations, compared with popular all-atom force field approaches, coarse-grained (CG) methods are frequently used for the rapid investigations of long time- and length-scale processes in many important biological and soft matter studies. The typical task in coarse-graining is to derive interaction force functions between different CG site types in terms of their distance, bond angle or dihedral angle. In this paper, an ℓ1-regularized least squares model is applied to form the force functions, which makes additional use of the B-spline wavelet frame transform in order to preserve the important features of force functions. The B-spline tight frames system has a simple explicit expression which is useful for representing our force functions. Moreover, the redundancy of the system offers more resilience to the effects of noise and is useful in the case of lossy data. Numerical results for molecular systems involving pairwise non-bonded, three and four-body bonded interactions are obtained to demonstrate the effectiveness of our approach.

Color management with a hammer: the B-spline fitter

NASA Astrophysics Data System (ADS)

Bell, Ian E.; Liu, Bonny H. P.

2003-01-01

To paraphrase Abraham Maslow: If the only tool you have is a hammer, every problem looks like a nail. We have a B-spline fitter customized for 3D color data, and many problems in color management can be solved with this tool. Whereas color devices were once modeled with extensive measurement, look-up tables and trilinear interpolation, recent improvements in hardware have made B-spline models an affordable alternative. Such device characterizations require fewer color measurements than piecewise linear models, and have uses beyond simple interpolation. A B-spline fitter, for example, can act as a filter to remove noise from measurements, leaving a model with guaranteed smoothness. Inversion of the device model can then be carried out consistently and efficiently, as the spline model is well behaved and its derivatives easily computed. Spline-based algorithms also exist for gamut mapping, the composition of maps, and the extrapolation of a gamut. Trilinear interpolation---a degree-one spline---can still be used after nonlinear spline smoothing for high-speed evaluation with robust convergence. Using data from several color devices, this paper examines the use of B-splines as a generic tool for modeling devices and mapping one gamut to another, and concludes with applications to high-dimensional and spectral data.

Spline smoothing of histograms by linear programming

NASA Technical Reports Server (NTRS)

Bennett, J. O.

1972-01-01

An algorithm for an approximating function to the frequency distribution is obtained from a sample of size n. To obtain the approximating function a histogram is made from the data. Next, Euclidean space approximations to the graph of the histogram using central B-splines as basis elements are obtained by linear programming. The approximating function has area one and is nonnegative.

Nonlinear identification using a B-spline neural network and chaotic immune approaches

NASA Astrophysics Data System (ADS)

dos Santos Coelho, Leandro; Pessôa, Marcelo Wicthoff

2009-11-01

One of the important applications of B-spline neural network (BSNN) is to approximate nonlinear functions defined on a compact subset of a Euclidean space in a highly parallel manner. Recently, BSNN, a type of basis function neural network, has received increasing attention and has been applied in the field of nonlinear identification. BSNNs have the potential to "learn" the process model from input-output data or "learn" fault knowledge from past experience. BSNN can be used as function approximators to construct the analytical model for residual generation too. However, BSNN is trained by gradient-based methods that may fall into local minima during the learning procedure. When using feed-forward BSNNs, the quality of approximation depends on the control points (knots) placement of spline functions. This paper describes the application of a modified artificial immune network inspired optimization method - the opt-aiNet - combined with sequences generate by Hénon map to provide a stochastic search to adjust the control points of a BSNN. The numerical results presented here indicate that artificial immune network optimization methods are useful for building good BSNN model for the nonlinear identification of two case studies: (i) the benchmark of Box and Jenkins gas furnace, and (ii) an experimental ball-and-tube system.

Radial Basis Function Based Quadrature over Smooth Surfaces

DTIC Science & Technology

2016-03-24

Radial Basis Functions φ(r) Piecewise Smooth (Conditionally Positive Definite) MN Monomial |r|2m+1 TPS thin plate spline |r|2mln|r| Infinitely Smooth...smooth surfaces using polynomial interpolants, while [27] couples Thin - Plate Spline interpolation (see table 1) with Green’s integral formula [29

Tensorial Basis Spline Collocation Method for Poisson's Equation

NASA Astrophysics Data System (ADS)

Plagne, Laurent; Berthou, Jean-Yves

2000-01-01

This paper aims to describe the tensorial basis spline collocation method applied to Poisson's equation. In the case of a localized 3D charge distribution in vacuum, this direct method based on a tensorial decomposition of the differential operator is shown to be competitive with both iterative BSCM and FFT-based methods. We emphasize the O(h4) and O(h6) convergence of TBSCM for cubic and quintic splines, respectively. We describe the implementation of this method on a distributed memory parallel machine. Performance measurements on a Cray T3E are reported. Our code exhibits high performance and good scalability: As an example, a 27 Gflops performance is obtained when solving Poisson's equation on a 2563 non-uniform 3D Cartesian mesh by using 128 T3E-750 processors. This represents 215 Mflops per processors.

Regional vertical total electron content (VTEC) modeling together with satellite and receiver differential code biases (DCBs) using semi-parametric multivariate adaptive regression B-splines (SP-BMARS)

NASA Astrophysics Data System (ADS)

Durmaz, Murat; Karslioglu, Mahmut Onur

2015-04-01

There are various global and regional methods that have been proposed for the modeling of ionospheric vertical total electron content (VTEC). Global distribution of VTEC is usually modeled by spherical harmonic expansions, while tensor products of compactly supported univariate B-splines can be used for regional modeling. In these empirical parametric models, the coefficients of the basis functions as well as differential code biases (DCBs) of satellites and receivers can be treated as unknown parameters which can be estimated from geometry-free linear combinations of global positioning system observables. In this work we propose a new semi-parametric multivariate adaptive regression B-splines (SP-BMARS) method for the regional modeling of VTEC together with satellite and receiver DCBs, where the parametric part of the model is related to the DCBs as fixed parameters and the non-parametric part adaptively models the spatio-temporal distribution of VTEC. The latter is based on multivariate adaptive regression B-splines which is a non-parametric modeling technique making use of compactly supported B-spline basis functions that are generated from the observations automatically. This algorithm takes advantage of an adaptive scale-by-scale model building strategy that searches for best-fitting B-splines to the data at each scale. The VTEC maps generated from the proposed method are compared numerically and visually with the global ionosphere maps (GIMs) which are provided by the Center for Orbit Determination in Europe (CODE). The VTEC values from SP-BMARS and CODE GIMs are also compared with VTEC values obtained through calibration using local ionospheric model. The estimated satellite and receiver DCBs from the SP-BMARS model are compared with the CODE distributed DCBs. The results show that the SP-BMARS algorithm can be used to estimate satellite and receiver DCBs while adaptively and flexibly modeling the daily regional VTEC.

Genetic evaluation and selection response for growth in meat-type quail through random regression models using B-spline functions and Legendre polynomials.

PubMed

Mota, L F M; Martins, P G M A; Littiere, T O; Abreu, L R A; Silva, M A; Bonafé, C M

2018-04-01

The objective was to estimate (co)variance functions using random regression models (RRM) with Legendre polynomials, B-spline function and multi-trait models aimed at evaluating genetic parameters of growth traits in meat-type quail. A database containing the complete pedigree information of 7000 meat-type quail was utilized. The models included the fixed effects of contemporary group and generation. Direct additive genetic and permanent environmental effects, considered as random, were modeled using B-spline functions considering quadratic and cubic polynomials for each individual segment, and Legendre polynomials for age. Residual variances were grouped in four age classes. Direct additive genetic and permanent environmental effects were modeled using 2 to 4 segments and were modeled by Legendre polynomial with orders of fit ranging from 2 to 4. The model with quadratic B-spline adjustment, using four segments for direct additive genetic and permanent environmental effects, was the most appropriate and parsimonious to describe the covariance structure of the data. The RRM using Legendre polynomials presented an underestimation of the residual variance. Lesser heritability estimates were observed for multi-trait models in comparison with RRM for the evaluated ages. In general, the genetic correlations between measures of BW from hatching to 35 days of age decreased as the range between the evaluated ages increased. Genetic trend for BW was positive and significant along the selection generations. The genetic response to selection for BW in the evaluated ages presented greater values for RRM compared with multi-trait models. In summary, RRM using B-spline functions with four residual variance classes and segments were the best fit for genetic evaluation of growth traits in meat-type quail. In conclusion, RRM should be considered in genetic evaluation of breeding programs.

B-spline based image tracking by detection

NASA Astrophysics Data System (ADS)

Balaji, Bhashyam; Sithiravel, Rajiv; Damini, Anthony; Kirubarajan, Thiagalingam; Rajan, Sreeraman

2016-05-01

Visual image tracking involves the estimation of the motion of any desired targets in a surveillance region using a sequence of images. A standard method of isolating moving targets in image tracking uses background subtraction. The standard background subtraction method is often impacted by irrelevant information in the images, which can lead to poor performance in image-based target tracking. In this paper, a B-Spline based image tracking is implemented. The novel method models the background and foreground using the B-Spline method followed by a tracking-by-detection algorithm. The effectiveness of the proposed algorithm is demonstrated.

Choosing the Optimal Number of B-spline Control Points (Part 1: Methodology and Approximation of Curves)

NASA Astrophysics Data System (ADS)

Harmening, Corinna; Neuner, Hans

2016-09-01

Due to the establishment of terrestrial laser scanner, the analysis strategies in engineering geodesy change from pointwise approaches to areal ones. These areal analysis strategies are commonly built on the modelling of the acquired point clouds. Freeform curves and surfaces like B-spline curves/surfaces are one possible approach to obtain space continuous information. A variety of parameters determines the B-spline's appearance; the B-spline's complexity is mostly determined by the number of control points. Usually, this number of control points is chosen quite arbitrarily by intuitive trial-and-error-procedures. In this paper, the Akaike Information Criterion and the Bayesian Information Criterion are investigated with regard to a justified and reproducible choice of the optimal number of control points of B-spline curves. Additionally, we develop a method which is based on the structural risk minimization of the statistical learning theory. Unlike the Akaike and the Bayesian Information Criteria this method doesn't use the number of parameters as complexity measure of the approximating functions but their Vapnik-Chervonenkis-dimension. Furthermore, it is also valid for non-linear models. Thus, the three methods differ in their target function to be minimized and consequently in their definition of optimality. The present paper will be continued by a second paper dealing with the choice of the optimal number of control points of B-spline surfaces.

Fitting multidimensional splines using statistical variable selection techniques

NASA Technical Reports Server (NTRS)

Smith, P. L.

1982-01-01

This report demonstrates the successful application of statistical variable selection techniques to fit splines. Major emphasis is given to knot selection, but order determination is also discussed. Two FORTRAN backward elimination programs using the B-spline basis were developed, and the one for knot elimination is compared in detail with two other spline-fitting methods and several statistical software packages. An example is also given for the two-variable case using a tensor product basis, with a theoretical discussion of the difficulties of their use.

Penalized spline estimation for functional coefficient regression models.

PubMed

Cao, Yanrong; Lin, Haiqun; Wu, Tracy Z; Yu, Yan

2010-04-01

The functional coefficient regression models assume that the regression coefficients vary with some "threshold" variable, providing appreciable flexibility in capturing the underlying dynamics in data and avoiding the so-called "curse of dimensionality" in multivariate nonparametric estimation. We first investigate the estimation, inference, and forecasting for the functional coefficient regression models with dependent observations via penalized splines. The P-spline approach, as a direct ridge regression shrinkage type global smoothing method, is computationally efficient and stable. With established fixed-knot asymptotics, inference is readily available. Exact inference can be obtained for fixed smoothing parameter λ, which is most appealing for finite samples. Our penalized spline approach gives an explicit model expression, which also enables multi-step-ahead forecasting via simulations. Furthermore, we examine different methods of choosing the important smoothing parameter λ: modified multi-fold cross-validation (MCV), generalized cross-validation (GCV), and an extension of empirical bias bandwidth selection (EBBS) to P-splines. In addition, we implement smoothing parameter selection using mixed model framework through restricted maximum likelihood (REML) for P-spline functional coefficient regression models with independent observations. The P-spline approach also easily allows different smoothness for different functional coefficients, which is enabled by assigning different penalty λ accordingly. We demonstrate the proposed approach by both simulation examples and a real data application.

Algebraic grid generation using tensor product B-splines. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Saunders, B. V.

1985-01-01

Finite difference methods are more successful if the accompanying grid has lines which are smooth and nearly orthogonal. The development of an algorithm which produces such a grid when given the boundary description. Topological considerations in structuring the grid generation mapping are discussed. The concept of the degree of a mapping and how it can be used to determine what requirements are necessary if a mapping is to produce a suitable grid is examined. The grid generation algorithm uses a mapping composed of bicubic B-splines. Boundary coefficients are chosen so that the splines produce Schoenberg's variation diminishing spline approximation to the boundary. Interior coefficients are initially chosen to give a variation diminishing approximation to the transfinite bilinear interpolant of the function mapping the boundary of the unit square onto the boundary grid. The practicality of optimizing the grid by minimizing a functional involving the Jacobian of the grid generation mapping at each interior grid point and the dot product of vectors tangent to the grid lines is investigated. Grids generated by using the algorithm are presented.

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

Geometric and computer-aided spline hob modeling

NASA Astrophysics Data System (ADS)

Brailov, I. G.; Myasoedova, T. M.; Panchuk, K. L.; Krysova, I. V.; Rogoza, YU A.

2018-03-01

The paper considers acquiring the spline hob geometric model. The objective of the research is the development of a mathematical model of spline hob for spline shaft machining. The structure of the spline hob is described taking into consideration the motion in parameters of the machine tool system of cutting edge positioning and orientation. Computer-aided study is performed with the use of CAD and on the basis of 3D modeling methods. Vector representation of cutting edge geometry is accepted as the principal method of spline hob mathematical model development. The paper defines the correlations described by parametric vector functions representing helical cutting edges designed for spline shaft machining with consideration for helical movement in two dimensions. An application for acquiring the 3D model of spline hob is developed on the basis of AutoLISP for AutoCAD environment. The application presents the opportunity for the use of the acquired model for milling process imitation. An example of evaluation, analytical representation and computer modeling of the proposed geometrical model is reviewed. In the mentioned example, a calculation of key spline hob parameters assuring the capability of hobbing a spline shaft of standard design is performed. The polygonal and solid spline hob 3D models are acquired by the use of imitational computer modeling.

A Parallel Nonrigid Registration Algorithm Based on B-Spline for Medical Images.

PubMed

Du, Xiaogang; Dang, Jianwu; Wang, Yangping; Wang, Song; Lei, Tao

2016-01-01

The nonrigid registration algorithm based on B-spline Free-Form Deformation (FFD) plays a key role and is widely applied in medical image processing due to the good flexibility and robustness. However, it requires a tremendous amount of computing time to obtain more accurate registration results especially for a large amount of medical image data. To address the issue, a parallel nonrigid registration algorithm based on B-spline is proposed in this paper. First, the Logarithm Squared Difference (LSD) is considered as the similarity metric in the B-spline registration algorithm to improve registration precision. After that, we create a parallel computing strategy and lookup tables (LUTs) to reduce the complexity of the B-spline registration algorithm. As a result, the computing time of three time-consuming steps including B-splines interpolation, LSD computation, and the analytic gradient computation of LSD, is efficiently reduced, for the B-spline registration algorithm employs the Nonlinear Conjugate Gradient (NCG) optimization method. Experimental results of registration quality and execution efficiency on the large amount of medical images show that our algorithm achieves a better registration accuracy in terms of the differences between the best deformation fields and ground truth and a speedup of 17 times over the single-threaded CPU implementation due to the powerful parallel computing ability of Graphics Processing Unit (GPU).

A Parallel Nonrigid Registration Algorithm Based on B-Spline for Medical Images

PubMed Central

Wang, Yangping; Wang, Song

2016-01-01

The nonrigid registration algorithm based on B-spline Free-Form Deformation (FFD) plays a key role and is widely applied in medical image processing due to the good flexibility and robustness. However, it requires a tremendous amount of computing time to obtain more accurate registration results especially for a large amount of medical image data. To address the issue, a parallel nonrigid registration algorithm based on B-spline is proposed in this paper. First, the Logarithm Squared Difference (LSD) is considered as the similarity metric in the B-spline registration algorithm to improve registration precision. After that, we create a parallel computing strategy and lookup tables (LUTs) to reduce the complexity of the B-spline registration algorithm. As a result, the computing time of three time-consuming steps including B-splines interpolation, LSD computation, and the analytic gradient computation of LSD, is efficiently reduced, for the B-spline registration algorithm employs the Nonlinear Conjugate Gradient (NCG) optimization method. Experimental results of registration quality and execution efficiency on the large amount of medical images show that our algorithm achieves a better registration accuracy in terms of the differences between the best deformation fields and ground truth and a speedup of 17 times over the single-threaded CPU implementation due to the powerful parallel computing ability of Graphics Processing Unit (GPU). PMID:28053653

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

Point Set Denoising Using Bootstrap-Based Radial Basis Function.

PubMed

Liew, Khang Jie; Ramli, Ahmad; Abd Majid, Ahmad

2016-01-01

This paper examines the application of a bootstrap test error estimation of radial basis functions, specifically thin-plate spline fitting, in surface smoothing. The presence of noisy data is a common issue of the point set model that is generated from 3D scanning devices, and hence, point set denoising is one of the main concerns in point set modelling. Bootstrap test error estimation, which is applied when searching for the smoothing parameters of radial basis functions, is revisited. The main contribution of this paper is a smoothing algorithm that relies on a bootstrap-based radial basis function. The proposed method incorporates a k-nearest neighbour search and then projects the point set to the approximated thin-plate spline surface. Therefore, the denoising process is achieved, and the features are well preserved. A comparison of the proposed method with other smoothing methods is also carried out in this study.

Computing global minimizers to a constrained B-spline image registration problem from optimal l1 perturbations to block match data

PubMed Central

Castillo, Edward; Castillo, Richard; Fuentes, David; Guerrero, Thomas

2014-01-01

Purpose: Block matching is a well-known strategy for estimating corresponding voxel locations between a pair of images according to an image similarity metric. Though robust to issues such as image noise and large magnitude voxel displacements, the estimated point matches are not guaranteed to be spatially accurate. However, the underlying optimization problem solved by the block matching procedure is similar in structure to the class of optimization problem associated with B-spline based registration methods. By exploiting this relationship, the authors derive a numerical method for computing a global minimizer to a constrained B-spline registration problem that incorporates the robustness of block matching with the global smoothness properties inherent to B-spline parameterization. Methods: The method reformulates the traditional B-spline registration problem as a basis pursuit problem describing the minimal l1-perturbation to block match pairs required to produce a B-spline fitting error within a given tolerance. The sparsity pattern of the optimal perturbation then defines a voxel point cloud subset on which the B-spline fit is a global minimizer to a constrained variant of the B-spline registration problem. As opposed to traditional B-spline algorithms, the optimization step involving the actual image data is addressed by block matching. Results: The performance of the method is measured in terms of spatial accuracy using ten inhale/exhale thoracic CT image pairs (available for download at www.dir-lab.com) obtained from the COPDgene dataset and corresponding sets of expert-determined landmark point pairs. The results of the validation procedure demonstrate that the method can achieve a high spatial accuracy on a significantly complex image set. Conclusions: The proposed methodology is demonstrated to achieve a high spatial accuracy and is generalizable in that in can employ any displacement field parameterization described as a least squares fit to block match

Multivariate Spline Algorithms for CAGD

NASA Technical Reports Server (NTRS)

Boehm, W.

1985-01-01

Two special polyhedra present themselves for the definition of B-splines: a simplex S and a box or parallelepiped B, where the edges of S project into an irregular grid, while the edges of B project into the edges of a regular grid. More general splines may be found by forming linear combinations of these B-splines, where the three-dimensional coefficients are called the spline control points. Univariate splines are simplex splines, where s = 1, whereas splines over a regular triangular grid are box splines, where s = 2. Two simple facts render the development of the construction of B-splines: (1) any face of a simplex or a box is again a simplex or box but of lower dimension; and (2) any simplex or box can be easily subdivided into smaller simplices or boxes. The first fact gives a geometric approach to Mansfield-like recursion formulas that express a B-spline in B-splines of lower order, where the coefficients depend on x. By repeated recursion, the B-spline will be expressed as B-splines of order 1; i.e., piecewise constants. In the case of a simplex spline, the second fact gives a so-called insertion algorithm that constructs the new control points if an additional knot is inserted.

Curve fitting and modeling with splines using statistical variable selection techniques

NASA Technical Reports Server (NTRS)

Smith, P. L.

1982-01-01

The successful application of statistical variable selection techniques to fit splines is demonstrated. Major emphasis is given to knot selection, but order determination is also discussed. Two FORTRAN backward elimination programs, using the B-spline basis, were developed. The program for knot elimination is compared in detail with two other spline-fitting methods and several statistical software packages. An example is also given for the two-variable case using a tensor product basis, with a theoretical discussion of the difficulties of their use.

Data reduction using cubic rational B-splines

NASA Technical Reports Server (NTRS)

Chou, Jin J.; Piegl, Les A.

1992-01-01

A geometric method is proposed for fitting rational cubic B-spline curves to data that represent smooth curves including intersection or silhouette lines. The algorithm is based on the convex hull and the variation diminishing properties of Bezier/B-spline curves. The algorithm has the following structure: it tries to fit one Bezier segment to the entire data set and if it is impossible it subdivides the data set and reconsiders the subset. After accepting the subset the algorithm tries to find the longest run of points within a tolerance and then approximates this set with a Bezier cubic segment. The algorithm uses this procedure repeatedly to the rest of the data points until all points are fitted. It is concluded that the algorithm delivers fitting curves which approximate the data with high accuracy even in cases with large tolerances.

Algebraic grid adaptation method using non-uniform rational B-spline surface modeling

NASA Technical Reports Server (NTRS)

Yang, Jiann-Cherng; Soni, B. K.

1992-01-01

An algebraic adaptive grid system based on equidistribution law and utilized by the Non-Uniform Rational B-Spline (NURBS) surface for redistribution is presented. A weight function, utilizing a properly weighted boolean sum of various flow field characteristics is developed. Computational examples are presented to demonstrate the success of this technique.

Spline approximation, Part 1: Basic methodology

NASA Astrophysics Data System (ADS)

Ezhov, Nikolaj; Neitzel, Frank; Petrovic, Svetozar

2018-04-01

In engineering geodesy point clouds derived from terrestrial laser scanning or from photogrammetric approaches are almost never used as final results. For further processing and analysis a curve or surface approximation with a continuous mathematical function is required. In this paper the approximation of 2D curves by means of splines is treated. Splines offer quite flexible and elegant solutions for interpolation or approximation of "irregularly" distributed data. Depending on the problem they can be expressed as a function or as a set of equations that depend on some parameter. Many different types of splines can be used for spline approximation and all of them have certain advantages and disadvantages depending on the approximation problem. In a series of three articles spline approximation is presented from a geodetic point of view. In this paper (Part 1) the basic methodology of spline approximation is demonstrated using splines constructed from ordinary polynomials and splines constructed from truncated polynomials. In the forthcoming Part 2 the notion of B-spline will be explained in a unique way, namely by using the concept of convex combinations. The numerical stability of all spline approximation approaches as well as the utilization of splines for deformation detection will be investigated on numerical examples in Part 3.

Nonlinear spline wavefront reconstruction through moment-based Shack-Hartmann sensor measurements.

PubMed

Viegers, M; Brunner, E; Soloviev, O; de Visser, C C; Verhaegen, M

2017-05-15

We propose a spline-based aberration reconstruction method through moment measurements (SABRE-M). The method uses first and second moment information from the focal spots of the SH sensor to reconstruct the wavefront with bivariate simplex B-spline basis functions. The proposed method, since it provides higher order local wavefront estimates with quadratic and cubic basis functions can provide the same accuracy for SH arrays with a reduced number of subapertures and, correspondingly, larger lenses which can be beneficial for application in low light conditions. In numerical experiments the performance of SABRE-M is compared to that of the first moment method SABRE for aberrations of different spatial orders and for different sizes of the SH array. The results show that SABRE-M is superior to SABRE, in particular for the higher order aberrations and that SABRE-M can give equal performance as SABRE on a SH grid of halved sampling.

Accurate B-spline-based 3-D interpolation scheme for digital volume correlation

NASA Astrophysics Data System (ADS)

Ren, Maodong; Liang, Jin; Wei, Bin

2016-12-01

An accurate and efficient 3-D interpolation scheme, based on sampling theorem and Fourier transform technique, is proposed to reduce the sub-voxel matching error caused by intensity interpolation bias in digital volume correlation. First, the influence factors of the interpolation bias are investigated theoretically using the transfer function of an interpolation filter (henceforth filter) in the Fourier domain. A law that the positional error of a filter can be expressed as a function of fractional position and wave number is found. Then, considering the above factors, an optimized B-spline-based recursive filter, combining B-spline transforms and least squares optimization method, is designed to virtually eliminate the interpolation bias in the process of sub-voxel matching. Besides, given each volumetric image containing different wave number ranges, a Gaussian weighting function is constructed to emphasize or suppress certain of wave number ranges based on the Fourier spectrum analysis. Finally, a novel software is developed and series of validation experiments were carried out to verify the proposed scheme. Experimental results show that the proposed scheme can reduce the interpolation bias to an acceptable level.

Splines and control theory

NASA Technical Reports Server (NTRS)

Zhang, Zhimin; Tomlinson, John; Martin, Clyde

1994-01-01

In this work, the relationship between splines and the control theory has been analyzed. We show that spline functions can be constructed naturally from the control theory. By establishing a framework based on control theory, we provide a simple and systematic way to construct splines. We have constructed the traditional spline functions including the polynomial splines and the classical exponential spline. We have also discovered some new spline functions such as trigonometric splines and the combination of polynomial, exponential and trigonometric splines. The method proposed in this paper is easy to implement. Some numerical experiments are performed to investigate properties of different spline approximations.

Comparison of Ionospheric Vertical Total Electron Content modelling approaches using spline based representations

NASA Astrophysics Data System (ADS)

Krypiak-Gregorczyk, Anna; Wielgosz, Pawel; Borkowski, Andrzej; Schmidt, Michael; Erdogan, Eren; Goss, Andreas

2017-04-01

Since electromagnetic measurements show dispersive characteristics, accurate modelling of the ionospheric electron content plays an important role for positioning and navigation applications to mitigate the effect of the ionospheric disturbances. Knowledge about the ionosphere contributes to a better understanding of space weather events as well as to forecast these events to enable protective measures in advance for electronic systems and satellite missions. In the last decades, advances in satellite technologies, data analysis techniques and models together with a rapidly growing number of analysis centres allow modelling the ionospheric electron content with an unprecedented accuracy in (near) real-time. In this sense, the representation of electron content variations in time and space with spline basis functions has gained practical importance in global and regional ionosphere modelling. This is due to their compact support and their flexibility to handle unevenly distributed observations and data gaps. In this contribution, the performances of two ionosphere models from UWM and DGFI-TUM, which are developed using spline functions are evaluated. The VTEC model of DGFI-TUM is based on tensor products of trigonometric B-spline functions in longitude and polynomial B-spline functions in latitude for a global representation. The UWM model uses two dimensional planar thin plate spline (TPS) with the Universal Transverse Mercator representation of ellipsoidal coordinates. In order to provide a smooth VTEC model, the TPS minimizes both, the squared norm of the Hessian matrix and deviations between data points and the model. In the evaluations, the differenced STEC analysis method and Jason-2 altimetry comparisons are applied.

4D-PET reconstruction using a spline-residue model with spatial and temporal roughness penalties

NASA Astrophysics Data System (ADS)

Ralli, George P.; Chappell, Michael A.; McGowan, Daniel R.; Sharma, Ricky A.; Higgins, Geoff S.; Fenwick, John D.

2018-05-01

4D reconstruction of dynamic positron emission tomography (dPET) data can improve the signal-to-noise ratio in reconstructed image sequences by fitting smooth temporal functions to the voxel time-activity-curves (TACs) during the reconstruction, though the optimal choice of function remains an open question. We propose a spline-residue model, which describes TACs as weighted sums of convolutions of the arterial input function with cubic B-spline basis functions. Convolution with the input function constrains the spline-residue model at early time-points, potentially enhancing noise suppression in early time-frames, while still allowing a wide range of TAC descriptions over the entire imaged time-course, thus limiting bias. Spline-residue based 4D-reconstruction is compared to that of a conventional (non-4D) maximum a posteriori (MAP) algorithm, and to 4D-reconstructions based on adaptive-knot cubic B-splines, the spectral model and an irreversible two-tissue compartment (‘2C3K’) model. 4D reconstructions were carried out using a nested-MAP algorithm including spatial and temporal roughness penalties. The algorithms were tested using Monte-Carlo simulated scanner data, generated for a digital thoracic phantom with uptake kinetics based on a dynamic [18F]-Fluromisonidazole scan of a non-small cell lung cancer patient. For every algorithm, parametric maps were calculated by fitting each voxel TAC within a sub-region of the reconstructed images with the 2C3K model. Compared to conventional MAP reconstruction, spline-residue-based 4D reconstruction achieved  >50% improvements for five of the eight combinations of the four kinetics parameters for which parametric maps were created with the bias and noise measures used to analyse them, and produced better results for 5/8 combinations than any of the other reconstruction algorithms studied, while spectral model-based 4D reconstruction produced the best results for 2/8. 2C3K model-based 4D reconstruction generated

Joint image and motion reconstruction for PET using a B-spline motion model.

PubMed

Blume, Moritz; Navab, Nassir; Rafecas, Magdalena

2012-12-21

We present a novel joint image and motion reconstruction method for PET. The method is based on gated data and reconstructs an image together with a motion function. The motion function can be used to transform the reconstructed image to any of the input gates. All available events (from all gates) are used in the reconstruction. The presented method uses a B-spline motion model, together with a novel motion regularization procedure that does not need a regularization parameter (which is usually extremely difficult to adjust). Several image and motion grid levels are used in order to reduce the reconstruction time. In a simulation study, the presented method is compared to a recently proposed joint reconstruction method. While the presented method provides comparable reconstruction quality, it is much easier to use since no regularization parameter has to be chosen. Furthermore, since the B-spline discretization of the motion function depends on fewer parameters than a displacement field, the presented method is considerably faster and consumes less memory than its counterpart. The method is also applied to clinical data, for which a novel purely data-driven gating approach is presented.

Quadratic trigonometric B-spline for image interpolation using GA

PubMed Central

Abbas, Samreen; Irshad, Misbah

2017-01-01

In this article, a new quadratic trigonometric B-spline with control parameters is constructed to address the problems related to two dimensional digital image interpolation. The newly constructed spline is then used to design an image interpolation scheme together with one of the soft computing techniques named as Genetic Algorithm (GA). The idea of GA has been formed to optimize the control parameters in the description of newly constructed spline. The Feature SIMilarity (FSIM), Structure SIMilarity (SSIM) and Multi-Scale Structure SIMilarity (MS-SSIM) indices along with traditional Peak Signal-to-Noise Ratio (PSNR) are employed as image quality metrics to analyze and compare the outcomes of approach offered in this work, with three of the present digital image interpolation schemes. The upshots show that the proposed scheme is better choice to deal with the problems associated to image interpolation. PMID:28640906

Quadratic trigonometric B-spline for image interpolation using GA.

PubMed

Hussain, Malik Zawwar; Abbas, Samreen; Irshad, Misbah

2017-01-01

In this article, a new quadratic trigonometric B-spline with control parameters is constructed to address the problems related to two dimensional digital image interpolation. The newly constructed spline is then used to design an image interpolation scheme together with one of the soft computing techniques named as Genetic Algorithm (GA). The idea of GA has been formed to optimize the control parameters in the description of newly constructed spline. The Feature SIMilarity (FSIM), Structure SIMilarity (SSIM) and Multi-Scale Structure SIMilarity (MS-SSIM) indices along with traditional Peak Signal-to-Noise Ratio (PSNR) are employed as image quality metrics to analyze and compare the outcomes of approach offered in this work, with three of the present digital image interpolation schemes. The upshots show that the proposed scheme is better choice to deal with the problems associated to image interpolation.

An Investigation into Conversion from Non-Uniform Rational B-Spline Boundary Representation Geometry to Constructive Solid Geometry

DTIC Science & Technology

2015-12-01

ARL-SR-0347 ● DEC 2015 US Army Research Laboratory An Investigation into Conversion from Non-Uniform Rational B-Spline Boundary...US Army Research Laboratory An Investigation into Conversion from Non-Uniform Rational B-Spline Boundary Representation Geometry to...from Non-Uniform Rational B-Spline Boundary Representation Geometry to Constructive Solid Geometry 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c

Regional Densification of a Global VTEC Model Based on B-Spline Representations

NASA Astrophysics Data System (ADS)

Erdogan, Eren; Schmidt, Michael; Dettmering, Denise; Goss, Andreas; Seitz, Florian; Börger, Klaus; Brandert, Sylvia; Görres, Barbara; Kersten, Wilhelm F.; Bothmer, Volker; Hinrichs, Johannes; Mrotzek, Niclas

2017-04-01

both directions. The spectral resolution of both model parts is defined by the number of B-spline basis functions introduced for longitude and latitude directions related to appropriate coordinate systems. Furthermore, the TLVM has to be developed under the postulation that the global model part will be computed continuously in near real-time (NRT) and routinely predicted into the future by an algorithm based on deterministic and statistical forecast models. Thus, the additional regional densification model part, which will be computed also in NRT, but possibly only for a specified time duration, must be estimated independently from the global one. For that purpose a data separation procedure has to be developed in order to estimate the unknown series coefficients of both model parts independently. This procedure must also consider additional technique-dependent unknowns such as the Differential Code Biases (DCBs) within GNSS and intersystem biases. In this contribution we will present the concept to set up the TLVM including the data combination and the Kalman filtering procedure; first numerical results will be presented.

Immersogeometric cardiovascular fluid–structure interaction analysis with divergence-conforming B-splines

PubMed Central

Kamensky, David; Hsu, Ming-Chen; Yu, Yue; Evans, John A.; Sacks, Michael S.; Hughes, Thomas J. R.

2016-01-01

This paper uses a divergence-conforming B-spline fluid discretization to address the long-standing issue of poor mass conservation in immersed methods for computational fluid–structure interaction (FSI) that represent the influence of the structure as a forcing term in the fluid subproblem. We focus, in particular, on the immersogeometric method developed in our earlier work, analyze its convergence for linear model problems, then apply it to FSI analysis of heart valves, using divergence-conforming B-splines to discretize the fluid subproblem. Poor mass conservation can manifest as effective leakage of fluid through thin solid barriers. This leakage disrupts the qualitative behavior of FSI systems such as heart valves, which exist specifically to block flow. Divergence-conforming discretizations can enforce mass conservation exactly, avoiding this problem. To demonstrate the practical utility of immersogeometric FSI analysis with divergence-conforming B-splines, we use the methods described in this paper to construct and evaluate a computational model of an in vitro experiment that pumps water through an artificial valve. PMID:28239201

Prostate multimodality image registration based on B-splines and quadrature local energy.

PubMed

Mitra, Jhimli; Martí, Robert; Oliver, Arnau; Lladó, Xavier; Ghose, Soumya; Vilanova, Joan C; Meriaudeau, Fabrice

2012-05-01

Needle biopsy of the prostate is guided by Transrectal Ultrasound (TRUS) imaging. The TRUS images do not provide proper spatial localization of malignant tissues due to the poor sensitivity of TRUS to visualize early malignancy. Magnetic Resonance Imaging (MRI) has been shown to be sensitive for the detection of early stage malignancy, and therefore, a novel 2D deformable registration method that overlays pre-biopsy MRI onto TRUS images has been proposed. The registration method involves B-spline deformations with Normalized Mutual Information (NMI) as the similarity measure computed from the texture images obtained from the amplitude responses of the directional quadrature filter pairs. Registration accuracy of the proposed method is evaluated by computing the Dice Similarity coefficient (DSC) and 95% Hausdorff Distance (HD) values for 20 patients prostate mid-gland slices and Target Registration Error (TRE) for 18 patients only where homologous structures are visible in both the TRUS and transformed MR images. The proposed method and B-splines using NMI computed from intensities provide average TRE values of 2.64 ± 1.37 and 4.43 ± 2.77 mm respectively. Our method shows statistically significant improvement in TRE when compared with B-spline using NMI computed from intensities with Student's t test p = 0.02. The proposed method shows 1.18 times improvement over thin-plate splines registration with average TRE of 3.11 ± 2.18 mm. The mean DSC and the mean 95% HD values obtained with the proposed method of B-spline with NMI computed from texture are 0.943 ± 0.039 and 4.75 ± 2.40 mm respectively. The texture energy computed from the quadrature filter pairs provides better registration accuracy for multimodal images than raw intensities. Low TRE values of the proposed registration method add to the feasibility of it being used during TRUS-guided biopsy.

An Adaptive B-Spline Neural Network and Its Application in Terminal Sliding Mode Control for a Mobile Satcom Antenna Inertially Stabilized Platform.

PubMed

Zhang, Xiaolei; Zhao, Yan; Guo, Kai; Li, Gaoliang; Deng, Nianmao

2017-04-28

The mobile satcom antenna (MSA) enables a moving vehicle to communicate with a geostationary Earth orbit satellite. To realize continuous communication, the MSA should be aligned with the satellite in both sight and polarization all the time. Because of coupling effects, unknown disturbances, sensor noises and unmodeled dynamics existing in the system, the control system should have a strong adaptability. The significant features of terminal sliding mode control method are robustness and finite time convergence, but the robustness is related to the large switching control gain which is determined by uncertain issues and can lead to chattering phenomena. Neural networks can reduce the chattering and approximate nonlinear issues. In this work, a novel B-spline curve-based B-spline neural network (BSNN) is developed. The improved BSNN has the capability of shape changing and self-adaption. In addition, the output of the proposed BSNN is applied to approximate the nonlinear function in the system. The results of simulations and experiments are also compared with those of PID method, non-singularity fast terminal sliding mode (NFTSM) control and radial basis function (RBF) neural network-based NFTSM. It is shown that the proposed method has the best performance, with reliable control precision.

On the spline-based wavelet differentiation matrix

NASA Technical Reports Server (NTRS)

Jameson, Leland

1993-01-01

The differentiation matrix for a spline-based wavelet basis is constructed. Given an n-th order spline basis it is proved that the differentiation matrix is accurate of order 2n + 2 when periodic boundary conditions are assumed. This high accuracy, or superconvergence, is lost when the boundary conditions are no longer periodic. Furthermore, it is shown that spline-based bases generate a class of compact finite difference schemes.

Analytic regularization of uniform cubic B-spline deformation fields.

PubMed

Shackleford, James A; Yang, Qi; Lourenço, Ana M; Shusharina, Nadya; Kandasamy, Nagarajan; Sharp, Gregory C

2012-01-01

Image registration is inherently ill-posed, and lacks a unique solution. In the context of medical applications, it is desirable to avoid solutions that describe physically unsound deformations within the patient anatomy. Among the accepted methods of regularizing non-rigid image registration to provide solutions applicable to medical practice is the penalty of thin-plate bending energy. In this paper, we develop an exact, analytic method for computing the bending energy of a three-dimensional B-spline deformation field as a quadratic matrix operation on the spline coefficient values. Results presented on ten thoracic case studies indicate the analytic solution is between 61-1371x faster than a numerical central differencing solution.

Development of quadrilateral spline thin plate elements using the B-net method

NASA Astrophysics Data System (ADS)

Chen, Juan; Li, Chong-Jun

2013-08-01

The quadrilateral discrete Kirchhoff thin plate bending element DKQ is based on the isoparametric element Q8, however, the accuracy of the isoparametric quadrilateral elements will drop significantly due to mesh distortions. In a previouswork, we constructed an 8-node quadrilateral spline element L8 using the triangular area coordinates and the B-net method, which can be insensitive to mesh distortions and possess the second order completeness in the Cartesian coordinates. In this paper, a thin plate spline element is developed based on the spline element L8 and the refined technique. Numerical examples show that the present element indeed possesses higher accuracy than the DKQ element for distorted meshes.

Generation of global VTEC maps from low latency GNSS observations based on B-spline modelling and Kalman filtering

NASA Astrophysics Data System (ADS)

Erdogan, Eren; Dettmering, Denise; Limberger, Marco; Schmidt, Michael; Seitz, Florian; Börger, Klaus; Brandert, Sylvia; Görres, Barbara; Kersten, Wilhelm F.; Bothmer, Volker; Hinrichs, Johannes; Venzmer, Malte

2015-04-01

In May 2014 DGFI-TUM (the former DGFI) and the German Space Situational Awareness Centre (GSSAC) started to develop an OPerational Tool for Ionospheric Mapping And Prediction (OPTIMAP); since November 2014 the Institute of Astrophysics at the University of Göttingen (IAG) joined the group as the third partner. This project aims on the computation and prediction of maps of the vertical total electron content (VTEC) and the electron density distribution of the ionosphere on a global scale from both various space-geodetic observation techniques such as GNSS and satellite altimetry as well as Sun observations. In this contribution we present first results, i.e. a near-real time processing framework for generating VTEC maps by assimilating GNSS (GPS, GLONASS) based ionospheric data into a two-dimensional global B-spline approach. To be more specific, the spatial variations of VTEC are modelled by trigonometric B-spline functions in longitude and by endpoint-interpolating polynomial B-spline functions in latitude, respectively. Since B-spline functions are compactly supported and highly localizing our approach can handle large data gaps appropriately and, thus, provides a better approximation of data with heterogeneous density and quality compared to the commonly used spherical harmonics. The presented method models temporal variations of VTEC inside a Kalman filter. The unknown parameters of the filter state vector are composed of the B-spline coefficients as well as the satellite and receiver DCBs. To approximate the temporal variation of these state vector components as part of the filter the dynamical model has to be set up. The current implementation of the filter allows to select between a random walk process, a Gauss-Markov process and a dynamic process driven by an empirical ionosphere model, e.g. the International Reference Ionosphere (IRI). For running the model ionospheric input data is acquired from terrestrial GNSS networks through online archive systems

Smoothing Spline ANOVA Decomposition of Arbitrary Splines: An Application to Eye Movements in Reading

PubMed Central

Matuschek, Hannes; Kliegl, Reinhold; Holschneider, Matthias

2015-01-01

The Smoothing Spline ANOVA (SS-ANOVA) requires a specialized construction of basis and penalty terms in order to incorporate prior knowledge about the data to be fitted. Typically, one resorts to the most general approach using tensor product splines. This implies severe constraints on the correlation structure, i.e. the assumption of isotropy of smoothness can not be incorporated in general. This may increase the variance of the spline fit, especially if only a relatively small set of observations are given. In this article, we propose an alternative method that allows to incorporate prior knowledge without the need to construct specialized bases and penalties, allowing the researcher to choose the spline basis and penalty according to the prior knowledge of the observations rather than choosing them according to the analysis to be done. The two approaches are compared with an artificial example and with analyses of fixation durations during reading. PMID:25816246

Isogeometric Bézier dual mortaring: Refineable higher-order spline dual bases and weakly continuous geometry

NASA Astrophysics Data System (ADS)

Zou, Z.; Scott, M. A.; Borden, M. J.; Thomas, D. C.; Dornisch, W.; Brivadis, E.

2018-05-01

In this paper we develop the isogeometric B\\'ezier dual mortar method. It is based on B\\'ezier extraction and projection and is applicable to any spline space which can be represented in B\\'ezier form (i.e., NURBS, T-splines, LR-splines, etc.). The approach weakly enforces the continuity of the solution at patch interfaces and the error can be adaptively controlled by leveraging the refineability of the underlying dual spline basis without introducing any additional degrees of freedom. We also develop weakly continuous geometry as a particular application of isogeometric B\\'ezier dual mortaring. Weakly continuous geometry is a geometry description where the weak continuity constraints are built into properly modified B\\'ezier extraction operators. As a result, multi-patch models can be processed in a solver directly without having to employ a mortaring solution strategy. We demonstrate the utility of the approach on several challenging benchmark problems. Keywords: Mortar methods, Isogeometric analysis, B\\'ezier extraction, B\\'ezier projection

High-frequency health data and spline functions.

PubMed

Martín-Rodríguez, Gloria; Murillo-Fort, Carlos

2005-03-30

Seasonal variations are highly relevant for health service organization. In general, short run movements of medical magnitudes are important features for managers in this field to make adequate decisions. Thus, the analysis of the seasonal pattern in high-frequency health data is an appealing task. The aim of this paper is to propose procedures that allow the analysis of the seasonal component in this kind of data by means of spline functions embedded into a structural model. In the proposed method, useful adaptions of the traditional spline formulation are developed, and the resulting procedures are capable of capturing periodic variations, whether deterministic or stochastic, in a parsimonious way. Finally, these methodological tools are applied to a series of daily emergency service demand in order to capture simultaneous seasonal variations in which periods are different.

Enhanced spatio-temporal alignment of plantar pressure image sequences using B-splines.

PubMed

Oliveira, Francisco P M; Tavares, João Manuel R S

2013-03-01

This article presents an enhanced methodology to align plantar pressure image sequences simultaneously in time and space. The temporal alignment of the sequences is accomplished using B-splines in the time modeling, and the spatial alignment can be attained using several geometric transformation models. The methodology was tested on a dataset of 156 real plantar pressure image sequences (3 sequences for each foot of the 26 subjects) that was acquired using a common commercial plate during barefoot walking. In the alignment of image sequences that were synthetically deformed both in time and space, an outstanding accuracy was achieved with the cubic B-splines. This accuracy was significantly better (p < 0.001) than the one obtained using the best solution proposed in our previous work. When applied to align real image sequences with unknown transformation involved, the alignment based on cubic B-splines also achieved superior results than our previous methodology (p < 0.001). The consequences of the temporal alignment on the dynamic center of pressure (COP) displacement was also assessed by computing the intraclass correlation coefficients (ICC) before and after the temporal alignment of the three image sequence trials of each foot of the associated subject at six time instants. The results showed that, generally, the ICCs related to the medio-lateral COP displacement were greater when the sequences were temporally aligned than the ICCs of the original sequences. Based on the experimental findings, one can conclude that the cubic B-splines are a remarkable solution for the temporal alignment of plantar pressure image sequences. These findings also show that the temporal alignment can increase the consistency of the COP displacement on related acquired plantar pressure image sequences.

Conformal Solid T-spline Construction from Boundary T-spline Representations

DTIC Science & Technology

2012-07-01

TITLE AND SUBTITLE Conformal Solid T-spline Construction from Boundary T-spline Representations 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM...Zhang’s ONR-YIP award N00014-10-1-0698 and an ONR Grant N00014-08-1-0653. The work of T. J.R. Hughes was supported by ONR Grant N00014-08-1-0992, NSF...GOALI CMI-0700807/0700204, NSF CMMI-1101007 and a SINTEF grant UTA10-000374. References 1. M. Aigner, C. Heinrich, B. Jüttler, E. Pilgerstorfer, B

Modelling inflation in transportation, comunication and financial services using B-Spline time series model

NASA Astrophysics Data System (ADS)

Suparti; Prahutama, Alan; Santoso, Rukun

2018-05-01

Inflation is an increase in the price of goods and services in general where the goods and services are the basic needs of society or the decline of the selling power of a country’s currency. Significant inflationary increases occurred in 2013. This increase was contributed by a significant increase in some inflation sectors / groups i.e transportation, communication and financial services; the foodstuff sector, and the housing, water, electricity, gas and fuel sectors. However, significant contributions occurred in the transportation, communications and financial services sectors. In the model of IFIs in the transportation, communication and financial services sector use the B-Spline time series approach, where the predictor variable is Yt, whereas the predictor is a significant lag (in this case Yt-1). In modeling B-spline time series determined the order and the optimum knot point. Optimum knot determination using Generalized Cross Validation (GCV). In inflation modeling for transportation sector, communication and financial services obtained model of B-spline order 2 with 2 points knots produce MAPE less than 50%.

Rational-spline approximation with automatic tension adjustment

NASA Technical Reports Server (NTRS)

Schiess, J. R.; Kerr, P. A.

1984-01-01

An algorithm for weighted least-squares approximation with rational splines is presented. A rational spline is a cubic function containing a distinct tension parameter for each interval defined by two consecutive knots. For zero tension, the rational spline is identical to a cubic spline; for very large tension, the rational spline is a linear function. The approximation algorithm incorporates an algorithm which automatically adjusts the tension on each interval to fulfill a user-specified criterion. Finally, an example is presented comparing results of the rational spline with those of the cubic spline.

Direct Numerical Simulation of Incompressible Pipe Flow Using a B-Spline Spectral Method

NASA Technical Reports Server (NTRS)

Loulou, Patrick; Moser, Robert D.; Mansour, Nagi N.; Cantwell, Brian J.

1997-01-01

A numerical method based on b-spline polynomials was developed to study incompressible flows in cylindrical geometries. A b-spline method has the advantages of possessing spectral accuracy and the flexibility of standard finite element methods. Using this method it was possible to ensure regularity of the solution near the origin, i.e. smoothness and boundedness. Because b-splines have compact support, it is also possible to remove b-splines near the center to alleviate the constraint placed on the time step by an overly fine grid. Using the natural periodicity in the azimuthal direction and approximating the streamwise direction as periodic, so-called time evolving flow, greatly reduced the cost and complexity of the computations. A direct numerical simulation of pipe flow was carried out using the method described above at a Reynolds number of 5600 based on diameter and bulk velocity. General knowledge of pipe flow and the availability of experimental measurements make pipe flow the ideal test case with which to validate the numerical method. Results indicated that high flatness levels of the radial component of velocity in the near wall region are physical; regions of high radial velocity were detected and appear to be related to high speed streaks in the boundary layer. Budgets of Reynolds stress transport equations showed close similarity with those of channel flow. However contrary to channel flow, the log layer of pipe flow is not homogeneous for the present Reynolds number. A topological method based on a classification of the invariants of the velocity gradient tensor was used. Plotting iso-surfaces of the discriminant of the invariants proved to be a good method for identifying vortical eddies in the flow field.

Mammogram registration using the Cauchy-Navier spline

NASA Astrophysics Data System (ADS)

Wirth, Michael A.; Choi, Christopher

2001-07-01

The process of comparative analysis involves inspecting mammograms for characteristic signs of potential cancer by comparing various analogous mammograms. Factors such as the deformable behavior of the breast, changes in breast positioning, and the amount/geometry of compression may contribute to spatial differences between corresponding structures in corresponding mammograms, thereby significantly complicating comparative analysis. Mammogram registration is a process whereby spatial differences between mammograms can be reduced. Presented in this paper is a nonrigid approach to matching corresponding mammograms based on a physical registration model. Many of the earliest approaches to mammogram registration used spatial transformations which were innately rigid or affine in nature. More recently algorithms have incorporated radial basis functions such as the Thin-Plate Spline to match mammograms. The approach presented here focuses on the use of the Cauchy-Navier Spline, a deformable registration model which offers approximate nonrigid registration. The utility of the Cauchy-Navier Spline is illustrated by matching both temporal and bilateral mammograms.

Multivariate Epi-splines and Evolving Function Identification Problems

DTIC Science & Technology

2015-04-15

such extrinsic information as well as observed function and subgradient values often evolve in applications, we establish conditions under which the...previous study [30] dealt with compact intervals of IR. Splines are intimately tied to optimization problems through their variational theory pioneered...approxima- tion. Motivated by applications in curve fitting, regression, probability density estimation, variogram computation, financial curve construction

An algorithm for surface smoothing with rational splines

NASA Technical Reports Server (NTRS)

Schiess, James R.

1987-01-01

Discussed is an algorithm for smoothing surfaces with spline functions containing tension parameters. The bivariate spline functions used are tensor products of univariate rational-spline functions. A distinct tension parameter corresponds to each rectangular strip defined by a pair of consecutive spline knots along either axis. Equations are derived for writing the bivariate rational spline in terms of functions and derivatives at the knots. Estimates of these values are obtained via weighted least squares subject to continuity constraints at the knots. The algorithm is illustrated on a set of terrain elevation data.

A smoothing algorithm using cubic spline functions

NASA Technical Reports Server (NTRS)

Smith, R. E., Jr.; Price, J. M.; Howser, L. M.

1974-01-01

Two algorithms are presented for smoothing arbitrary sets of data. They are the explicit variable algorithm and the parametric variable algorithm. The former would be used where large gradients are not encountered because of the smaller amount of calculation required. The latter would be used if the data being smoothed were double valued or experienced large gradients. Both algorithms use a least-squares technique to obtain a cubic spline fit to the data. The advantage of the spline fit is that the first and second derivatives are continuous. This method is best used in an interactive graphics environment so that the junction values for the spline curve can be manipulated to improve the fit.

Hierarchical Volume Representation with 3{radical}2 Subdivision and Trivariate B-Spline Wavelets

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

Linsen, L; Gray, JT; Pascucci, V

2002-01-11

Multiresolution methods provide a means for representing data at multiple levels of detail. They are typically based on a hierarchical data organization scheme and update rules needed for data value computation. We use a data organization that is based on what we call n{radical}2 subdivision. The main advantage of subdivision, compared to quadtree (n = 2) or octree (n = 3) organizations, is that the number of vertices is only doubled in each subdivision step instead of multiplied by a factor of four or eight, respectively. To update data values we use n-variate B-spline wavelets, which yields better approximations formore » each level of detail. We develop a lifting scheme for n = 2 and n = 3 based on the n{radical}2-subdivision scheme. We obtain narrow masks that could also provide a basis for view-dependent visualization and adaptive refinement.« less

Convergence Rates for Multivariate Smoothing Spline Functions.

DTIC Science & Technology

1982-10-01

GAI (,T) g (T)dT - g In order to show convergence of the series and obtain bounds on the terms, we need to estimate £ Now (1 + Ay v) AyV ( g ,#V...Cox* Technical Summary Report #2437 October 1982 ABSTRACT Given data z i - g (ti ) + ci, 1 4 i 4 n, where g is the unknown function, the ti are unknown...d-dimensional variables in a domain fl, and the ei are i.i.d. random errors, the smoothing spline estimate g n is defined to be the

Alignment of large image series using cubic B-splines tessellation: application to transmission electron microscopy data.

PubMed

Dauguet, Julien; Bock, Davi; Reid, R Clay; Warfield, Simon K

2007-01-01

3D reconstruction from serial 2D microscopy images depends on non-linear alignment of serial sections. For some structures, such as the neuronal circuitry of the brain, very large images at very high resolution are necessary to permit reconstruction. These very large images prevent the direct use of classical registration methods. We propose in this work a method to deal with the non-linear alignment of arbitrarily large 2D images using the finite support properties of cubic B-splines. After initial affine alignment, each large image is split into a grid of smaller overlapping sub-images, which are individually registered using cubic B-splines transformations. Inside the overlapping regions between neighboring sub-images, the coefficients of the knots controlling the B-splines deformations are blended, to create a virtual large grid of knots for the whole image. The sub-images are resampled individually, using the new coefficients, and assembled together into a final large aligned image. We evaluated the method on a series of large transmission electron microscopy images and our results indicate significant improvements compared to both manual and affine alignment.

Non-stationary hydrologic frequency analysis using B-spline quantile regression

NASA Astrophysics Data System (ADS)

Nasri, B.; Bouezmarni, T.; St-Hilaire, A.; Ouarda, T. B. M. J.

2017-11-01

Hydrologic frequency analysis is commonly used by engineers and hydrologists to provide the basic information on planning, design and management of hydraulic and water resources systems under the assumption of stationarity. However, with increasing evidence of climate change, it is possible that the assumption of stationarity, which is prerequisite for traditional frequency analysis and hence, the results of conventional analysis would become questionable. In this study, we consider a framework for frequency analysis of extremes based on B-Spline quantile regression which allows to model data in the presence of non-stationarity and/or dependence on covariates with linear and non-linear dependence. A Markov Chain Monte Carlo (MCMC) algorithm was used to estimate quantiles and their posterior distributions. A coefficient of determination and Bayesian information criterion (BIC) for quantile regression are used in order to select the best model, i.e. for each quantile, we choose the degree and number of knots of the adequate B-spline quantile regression model. The method is applied to annual maximum and minimum streamflow records in Ontario, Canada. Climate indices are considered to describe the non-stationarity in the variable of interest and to estimate the quantiles in this case. The results show large differences between the non-stationary quantiles and their stationary equivalents for an annual maximum and minimum discharge with high annual non-exceedance probabilities.

Evaluation of Two New Smoothing Methods in Equating: The Cubic B-Spline Presmoothing Method and the Direct Presmoothing Method

ERIC Educational Resources Information Center

Cui, Zhongmin; Kolen, Michael J.

2009-01-01

This article considers two new smoothing methods in equipercentile equating, the cubic B-spline presmoothing method and the direct presmoothing method. Using a simulation study, these two methods are compared with established methods, the beta-4 method, the polynomial loglinear method, and the cubic spline postsmoothing method, under three sample…

Statistical evaluation of the influence of the uncertainty budget on B-spline curve approximation

NASA Astrophysics Data System (ADS)

Zhao, Xin; Alkhatib, Hamza; Kargoll, Boris; Neumann, Ingo

2017-12-01

In the field of engineering geodesy, terrestrial laser scanning (TLS) has become a popular method for detecting deformations. This paper analyzes the influence of the uncertainty budget on free-form curves modeled by B-splines. Usually, free-form estimation is based on scanning points assumed to have equal accuracies, which is not realistic. Previous findings demonstrate that the residuals still contain random and systematic uncertainties caused by instrumental, object-related and atmospheric influences. In order to guarantee the quality of derived estimates, it is essential to be aware of all uncertainties and their impact on the estimation. In this paper, a more detailed uncertainty budget is considered, in the context of the "Guide to the Expression of Uncertainty in Measurement" (GUM), which leads to a refined, heteroskedastic variance covariance matrix (VCM) of TLS measurements. Furthermore, the control points of B-spline curves approximating a measured bridge are estimated. Comparisons are made between the estimated B-spline curves using on the one hand a homoskedastic VCM and on the other hand the refined VCM. To assess the statistical significance of the differences displayed by the estimates for the two stochastic models, a nested model misspecification test and a non-nested model selection test are described and applied. The test decisions indicate that the homoskedastic VCM should be replaced by a heteroskedastic VCM in the direction of the suggested VCM. However, the tests also indicate that the considered VCM is still inadequate in light of the given data set and should therefore be improved.

Split spline screw

NASA Technical Reports Server (NTRS)

Vranish, John M. (Inventor)

1993-01-01

A split spline screw type payload fastener assembly, including three identical male and female type split spline sections, is discussed. The male spline sections are formed on the head of a male type spline driver. Each of the split male type spline sections has an outwardly projecting load baring segment including a convex upper surface which is adapted to engage a complementary concave surface of a female spline receptor in the form of a hollow bolt head. Additionally, the male spline section also includes a horizontal spline releasing segment and a spline tightening segment below each load bearing segment. The spline tightening segment consists of a vertical web of constant thickness. The web has at least one flat vertical wall surface which is designed to contact a generally flat vertically extending wall surface tab of the bolt head. Mutual interlocking and unlocking of the male and female splines results upon clockwise and counter clockwise turning of the driver element.

Fully relativistic B-spline R-matrix calculations for electron collisions with xenon

NASA Astrophysics Data System (ADS)

Bartschat, Klaus; Zatsarinny, Oleg

2009-05-01

We have applied our recently developed fully relativistic Dirac B-spline R-matrix (DBSR) code [1] to calculate electron scattering from xenon atoms. Results from a 31-state close-coupling model for the excitation function of the metastable (5p^5 6s) J=0,2 states show excellent agreement with experiment [2], thereby presenting a significant improvement over the most sophisticated previous Breit-Pauli calculations [3,4]. This allows for a detailed and reliable analysis of the resonance structure. The same model is currently being used to calculate electron-impact excitation from the metastable J=2 state. The results will be compared with recent experimental data [5] and predictions from other theoretical models [6,7]. [1] O. Zatsarinny and K. Bartschat, Phys. Rev. A 77 (2008) 062701. [2] S. J. Buckman et al., J. Phys. B 16 (1983) 4219. [3] A. N. Grum-Grzhimailo and K. Bartschat, J. Phys. B 35 (2002) 3479. [4] M. Allan et al., Phys. Rev. A 74 (2006) 030701(R). [5] R. O. Jung et al., Phys. Rev. A 72 (2005) 022723. [6] R. Srivastava et al., Phys. Rev. A 74 (2006) 012715. [7] J. Jiang et al., J. Phys. B 41 (2008) 245204.

Multivariate spline methods in surface fitting

NASA Technical Reports Server (NTRS)

Guseman, L. F., Jr. (Principal Investigator); Schumaker, L. L.

1984-01-01

The use of spline functions in the development of classification algorithms is examined. In particular, a method is formulated for producing spline approximations to bivariate density functions where the density function is decribed by a histogram of measurements. The resulting approximations are then incorporated into a Bayesiaan classification procedure for which the Bayes decision regions and the probability of misclassification is readily computed. Some preliminary numerical results are presented to illustrate the method.

The estimation of time-varying risks in asset pricing modelling using B-Spline method

NASA Astrophysics Data System (ADS)

Nurjannah; Solimun; Rinaldo, Adji

2017-12-01

Asset pricing modelling has been extensively studied in the past few decades to explore the risk-return relationship. The asset pricing literature typically assumed a static risk-return relationship. However, several studies found few anomalies in the asset pricing modelling which captured the presence of the risk instability. The dynamic model is proposed to offer a better model. The main problem highlighted in the dynamic model literature is that the set of conditioning information is unobservable and therefore some assumptions have to be made. Hence, the estimation requires additional assumptions about the dynamics of risk. To overcome this problem, the nonparametric estimators can also be used as an alternative for estimating risk. The flexibility of the nonparametric setting avoids the problem of misspecification derived from selecting a functional form. This paper investigates the estimation of time-varying asset pricing model using B-Spline, as one of nonparametric approach. The advantages of spline method is its computational speed and simplicity, as well as the clarity of controlling curvature directly. The three popular asset pricing models will be investigated namely CAPM (Capital Asset Pricing Model), Fama-French 3-factors model and Carhart 4-factors model. The results suggest that the estimated risks are time-varying and not stable overtime which confirms the risk instability anomaly. The results is more pronounced in Carhart’s 4-factors model.

Spline-Screw Multiple-Rotation Mechanism

NASA Technical Reports Server (NTRS)

Vranish, John M.

1994-01-01

Mechanism functions like combined robotic gripper and nut runner. Spline-screw multiple-rotation mechanism related to spline-screw payload-fastening system described in (GSC-13454). Incorporated as subsystem in alternative version of system. Mechanism functions like combination of robotic gripper and nut runner; provides both secure grip and rotary actuation of other parts of system. Used in system in which no need to make or break electrical connections to payload during robotic installation or removal of payload. More complicated version needed to make and break electrical connections. Mechanism mounted in payload.

The algorithms for rational spline interpolation of surfaces

NASA Technical Reports Server (NTRS)

Schiess, J. R.

1986-01-01

Two algorithms for interpolating surfaces with spline functions containing tension parameters are discussed. Both algorithms are based on the tensor products of univariate rational spline functions. The simpler algorithm uses a single tension parameter for the entire surface. This algorithm is generalized to use separate tension parameters for each rectangular subregion. The new algorithm allows for local control of tension on the interpolating surface. Both algorithms are illustrated and the results are compared with the results of bicubic spline and bilinear interpolation of terrain elevation data.

A Locally Modal B-Spline Based Full-Vector Finite-Element Method with PML for Nonlinear and Lossy Plasmonic Waveguide

NASA Astrophysics Data System (ADS)

Karimi, Hossein; Nikmehr, Saeid; Khodapanah, Ehsan

2016-09-01

In this paper, we develop a B-spline finite-element method (FEM) based on a locally modal wave propagation with anisotropic perfectly matched layers (PMLs), for the first time, to simulate nonlinear and lossy plasmonic waveguides. Conventional approaches like beam propagation method, inherently omit the wave spectrum and do not provide physical insight into nonlinear modes especially in the plasmonic applications, where nonlinear modes are constructed by linear modes with very close propagation constant quantities. Our locally modal B-spline finite element method (LMBS-FEM) does not suffer from the weakness of the conventional approaches. To validate our method, first, propagation of wave for various kinds of linear, nonlinear, lossless and lossy materials of metal-insulator plasmonic structures are simulated using LMBS-FEM in MATLAB and the comparisons are made with FEM-BPM module of COMSOL Multiphysics simulator and B-spline finite-element finite-difference wide angle beam propagation method (BSFEFD-WABPM). The comparisons show that not only our developed numerical approach is computationally more accurate and efficient than conventional approaches but also it provides physical insight into the nonlinear nature of the propagation modes.

Multicategorical Spline Model for Item Response Theory.

ERIC Educational Resources Information Center

Abrahamowicz, Michal; Ramsay, James O.

1992-01-01

A nonparametric multicategorical model for multiple-choice data is proposed as an extension of the binary spline model of J. O. Ramsay and M. Abrahamowicz (1989). Results of two Monte Carlo studies illustrate the model, which approximates probability functions by rational splines. (SLD)

Rational-Spline Subroutines

NASA Technical Reports Server (NTRS)

Schiess, James R.; Kerr, Patricia A.; Smith, Olivia C.

1988-01-01

Smooth curves drawn among plotted data easily. Rational-Spline Approximation with Automatic Tension Adjustment algorithm leads to flexible, smooth representation of experimental data. "Tension" denotes mathematical analog of mechanical tension in spline or other mechanical curve-fitting tool, and "spline" as denotes mathematical generalization of tool. Program differs from usual spline under tension, allows user to specify different values of tension between adjacent pairs of knots rather than constant tension over entire range of data. Subroutines use automatic adjustment scheme that varies tension parameter for each interval until maximum deviation of spline from line joining knots less than or equal to amount specified by user. Procedure frees user from drudgery of adjusting individual tension parameters while still giving control over local behavior of spline.

B-Spline Filtering for Automatic Detection of Calcification Lesions in Mammograms

NASA Astrophysics Data System (ADS)

Bueno, G.; Sánchez, S.; Ruiz, M.

2006-10-01

Breast cancer continues to be an important health problem between women population. Early detection is the only way to improve breast cancer prognosis and significantly reduce women mortality. It is by using CAD systems that radiologist can improve their ability to detect, and classify lesions in mammograms. In this study the usefulness of using B-spline based on a gradient scheme and compared to wavelet and adaptative filtering has been investigated for calcification lesion detection and as part of CAD systems. The technique has been applied to different density tissues. A qualitative validation shows the success of the method.

A scalable block-preconditioning strategy for divergence-conforming B-spline discretizations of the Stokes problem

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

Cortes, Adriano M.; Dalcin, Lisandro; Sarmiento, Adel F.

The recently introduced divergence-conforming B-spline discretizations allow the construction of smooth discrete velocity–pressure pairs for viscous incompressible flows that are at the same time inf–sup stable and pointwise divergence-free. When applied to the discretized Stokes problem, these spaces generate a symmetric and indefinite saddle-point linear system. The iterative method of choice to solve such system is the Generalized Minimum Residual Method. This method lacks robustness, and one remedy is to use preconditioners. For linear systems of saddle-point type, a large family of preconditioners can be obtained by using a block factorization of the system. In this paper, we show howmore » the nesting of “black-box” solvers and preconditioners can be put together in a block triangular strategy to build a scalable block preconditioner for the Stokes system discretized by divergence-conforming B-splines. Lastly, besides the known cavity flow problem, we used for benchmark flows defined on complex geometries: an eccentric annulus and hollow torus of an eccentric annular cross-section.« less

A scalable block-preconditioning strategy for divergence-conforming B-spline discretizations of the Stokes problem

DOE PAGES

Cortes, Adriano M.; Dalcin, Lisandro; Sarmiento, Adel F.; ...

2016-10-19

The recently introduced divergence-conforming B-spline discretizations allow the construction of smooth discrete velocity–pressure pairs for viscous incompressible flows that are at the same time inf–sup stable and pointwise divergence-free. When applied to the discretized Stokes problem, these spaces generate a symmetric and indefinite saddle-point linear system. The iterative method of choice to solve such system is the Generalized Minimum Residual Method. This method lacks robustness, and one remedy is to use preconditioners. For linear systems of saddle-point type, a large family of preconditioners can be obtained by using a block factorization of the system. In this paper, we show howmore » the nesting of “black-box” solvers and preconditioners can be put together in a block triangular strategy to build a scalable block preconditioner for the Stokes system discretized by divergence-conforming B-splines. Lastly, besides the known cavity flow problem, we used for benchmark flows defined on complex geometries: an eccentric annulus and hollow torus of an eccentric annular cross-section.« less

Image Quality Improvement in Adaptive Optics Scanning Laser Ophthalmoscopy Assisted Capillary Visualization Using B-spline-based Elastic Image Registration

PubMed Central

Uji, Akihito; Ooto, Sotaro; Hangai, Masanori; Arichika, Shigeta; Yoshimura, Nagahisa

2013-01-01

Purpose To investigate the effect of B-spline-based elastic image registration on adaptive optics scanning laser ophthalmoscopy (AO-SLO)-assisted capillary visualization. Methods AO-SLO videos were acquired from parafoveal areas in the eyes of healthy subjects and patients with various diseases. After nonlinear image registration, the image quality of capillary images constructed from AO-SLO videos using motion contrast enhancement was compared before and after B-spline-based elastic (nonlinear) image registration performed using ImageJ. For objective comparison of image quality, contrast-to-noise ratios (CNRS) for vessel images were calculated. For subjective comparison, experienced ophthalmologists ranked images on a 5-point scale. Results All AO-SLO videos were successfully stabilized by elastic image registration. CNR was significantly higher in capillary images stabilized by elastic image registration than in those stabilized without registration. The average ratio of CNR in images with elastic image registration to CNR in images without elastic image registration was 2.10 ± 1.73, with no significant difference in the ratio between patients and healthy subjects. Improvement of image quality was also supported by expert comparison. Conclusions Use of B-spline-based elastic image registration in AO-SLO-assisted capillary visualization was effective for enhancing image quality both objectively and subjectively. PMID:24265796

Contour propagation for lung tumor delineation in 4D-CT using tensor-product surface of uniform and non-uniform closed cubic B-splines

NASA Astrophysics Data System (ADS)

Jin, Renchao; Liu, Yongchuan; Chen, Mi; Zhang, Sheng; Song, Enmin

2018-01-01

A robust contour propagation method is proposed to help physicians delineate lung tumors on all phase images of four-dimensional computed tomography (4D-CT) by only manually delineating the contours on a reference phase. The proposed method models the trajectory surface swept by a contour in a respiratory cycle as a tensor-product surface of two closed cubic B-spline curves: a non-uniform B-spline curve which models the contour and a uniform B-spline curve which models the trajectory of a point on the contour. The surface is treated as a deformable entity, and is optimized from an initial surface by moving its control vertices such that the sum of the intensity similarities between the sampling points on the manually delineated contour and their corresponding ones on different phases is maximized. The initial surface is constructed by fitting the manually delineated contour on the reference phase with a closed B-spline curve. In this way, the proposed method can focus the registration on the contour instead of the entire image to prevent the deformation of the contour from being smoothed by its surrounding tissues, and greatly reduce the time consumption while keeping the accuracy of the contour propagation as well as the temporal consistency of the estimated respiratory motions across all phases in 4D-CT. Eighteen 4D-CT cases with 235 gross tumor volume (GTV) contours on the maximal inhale phase and 209 GTV contours on the maximal exhale phase are manually delineated slice by slice. The maximal inhale phase is used as the reference phase, which provides the initial contours. On the maximal exhale phase, the Jaccard similarity coefficient between the propagated GTV and the manually delineated GTV is 0.881 +/- 0.026, and the Hausdorff distance is 3.07 +/- 1.08 mm. The time for propagating the GTV to all phases is 5.55 +/- 6.21 min. The results are better than those of the fast adaptive stochastic gradient descent B-spline method, the 3D  +  t B-spline

Wavelet based free-form deformations for nonrigid registration

NASA Astrophysics Data System (ADS)

Sun, Wei; Niessen, Wiro J.; Klein, Stefan

2014-03-01

In nonrigid registration, deformations may take place on the coarse and fine scales. For the conventional B-splines based free-form deformation (FFD) registration, these coarse- and fine-scale deformations are all represented by basis functions of a single scale. Meanwhile, wavelets have been proposed as a signal representation suitable for multi-scale problems. Wavelet analysis leads to a unique decomposition of a signal into its coarse- and fine-scale components. Potentially, this could therefore be useful for image registration. In this work, we investigate whether a wavelet-based FFD model has advantages for nonrigid image registration. We use a B-splines based wavelet, as defined by Cai and Wang.1 This wavelet is expressed as a linear combination of B-spline basis functions. Derived from the original B-spline function, this wavelet is smooth, differentiable, and compactly supported. The basis functions of this wavelet are orthogonal across scales in Sobolev space. This wavelet was previously used for registration in computer vision, in 2D optical flow problems,2 but it was not compared with the conventional B-spline FFD in medical image registration problems. An advantage of choosing this B-splines based wavelet model is that the space of allowable deformation is exactly equivalent to that of the traditional B-spline. The wavelet transformation is essentially a (linear) reparameterization of the B-spline transformation model. Experiments on 10 CT lung and 18 T1-weighted MRI brain datasets show that wavelet based registration leads to smoother deformation fields than traditional B-splines based registration, while achieving better accuracy.

Modeling of time trends and interactions in vital rates using restricted regression splines.

PubMed

Heuer, C

1997-03-01

For the analysis of time trends in incidence and mortality rates, the age-period-cohort (apc) model has became a widely accepted method. The considered data are arranged in a two-way table by age group and calendar period, which are mostly subdivided into 5- or 10-year intervals. The disadvantage of this approach is the loss of information by data aggregation and the problems of estimating interactions in the two-way layout without replications. In this article we show how splines can be useful when yearly data, i.e., 1-year age groups and 1-year periods, are given. The estimated spline curves are still smooth and represent yearly changes in the time trends. Further, it is straightforward to include interaction terms by the tensor product of the spline functions. If the data are given in a nonrectangular table, e.g., 5-year age groups and 1-year periods, the period and cohort variables can be parameterized by splines, while the age variable is parameterized as fixed effect levels, which leads to a semiparametric apc model. An important methodological issue in developing the nonparametric and semiparametric models is stability of the estimated spline curve at the boundaries. Here cubic regression splines will be used, which are constrained to be linear in the tails. Another point of importance is the nonidentifiability problem due to the linear dependency of the three time variables. This will be handled by decomposing the basis of each spline by orthogonal projection into constant, linear, and nonlinear terms, as suggested by Holford (1983, Biometrics 39, 311-324) for the traditional apc model. The advantage of using splines for yearly data compared to the traditional approach for aggregated data is the more accurate curve estimation for the nonlinear trend changes and the simple way of modeling interactions between the time variables. The method will be demonstrated with hypothetical data as well as with cancer mortality data.

An Examination of New Paradigms for Spline Approximations.

PubMed

Witzgall, Christoph; Gilsinn, David E; McClain, Marjorie A

2006-01-01

Lavery splines are examined in the univariate and bivariate cases. In both instances relaxation based algorithms for approximate calculation of Lavery splines are proposed. Following previous work Gilsinn, et al. [7] addressing the bivariate case, a rotationally invariant functional is assumed. The version of bivariate splines proposed in this paper also aims at irregularly spaced data and uses Hseih-Clough-Tocher elements based on the triangulated irregular network (TIN) concept. In this paper, the univariate case, however, is investigated in greater detail so as to further the understanding of the bivariate case.

Fuzzy B-spline optimization for urban slum three-dimensional reconstruction using ENVISAT satellite data

NASA Astrophysics Data System (ADS)

Marghany, Maged

2014-06-01

A critical challenges in urban aeras is slums. In fact, they are considered a source of crime and disease due to poor-quality housing, unsanitary conditions, poor infrastructures and occupancy security. The poor in the dense urban slums are the most vulnerable to infection due to (i) inadequate and restricted access to safety, drinking water and sufficient quantities of water for personal hygiene; (ii) the lack of removal and treatment of excreta; and (iii) the lack of removal of solid waste. This study aims to investigate the capability of ENVISAT ASAR satellite and Google Earth data for three-dimensional (3-D) slum urban reconstruction in developed countries such as Egypt. The main objective of this work is to utilize some 3-D automatic detection algorithm for urban slum in ENVISAT ASAR and Google Erath images were acquired in Cairo, Egypt using Fuzzy B-spline algorithm. The results show that the fuzzy algorithm is the best indicator for chaotic urban slum as it can discriminate between them from its surrounding environment. The combination of Fuzzy and B-spline then used to reconstruct 3-D of urban slum. The results show that urban slums, road network, and infrastructures are perfectly discriminated. It can therefore be concluded that the fuzzy algorithm is an appropriate algorithm for chaotic urban slum automatic detection in ENVSIAT ASAR and Google Earth data.

A spline-based non-linear diffeomorphism for multimodal prostate registration.

PubMed

Mitra, Jhimli; Kato, Zoltan; Martí, Robert; Oliver, Arnau; Lladó, Xavier; Sidibé, Désiré; Ghose, Soumya; Vilanova, Joan C; Comet, Josep; Meriaudeau, Fabrice

2012-08-01

This paper presents a novel method for non-rigid registration of transrectal ultrasound and magnetic resonance prostate images based on a non-linear regularized framework of point correspondences obtained from a statistical measure of shape-contexts. The segmented prostate shapes are represented by shape-contexts and the Bhattacharyya distance between the shape representations is used to find the point correspondences between the 2D fixed and moving images. The registration method involves parametric estimation of the non-linear diffeomorphism between the multimodal images and has its basis in solving a set of non-linear equations of thin-plate splines. The solution is obtained as the least-squares solution of an over-determined system of non-linear equations constructed by integrating a set of non-linear functions over the fixed and moving images. However, this may not result in clinically acceptable transformations of the anatomical targets. Therefore, the regularized bending energy of the thin-plate splines along with the localization error of established correspondences should be included in the system of equations. The registration accuracies of the proposed method are evaluated in 20 pairs of prostate mid-gland ultrasound and magnetic resonance images. The results obtained in terms of Dice similarity coefficient show an average of 0.980±0.004, average 95% Hausdorff distance of 1.63±0.48 mm and mean target registration and target localization errors of 1.60±1.17 mm and 0.15±0.12 mm respectively. Copyright © 2012 Elsevier B.V. All rights reserved.

Volumetric T-spline Construction Using Boolean Operations

DTIC Science & Technology

2013-07-01

SUBTITLE Volumetric T-spline Construction Using Boolean Operations 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d...Acknowledgements The work of L. Liu and Y. Zhang was supported by ONR-YIP award N00014- 10-1-0698 and an ONR Grant N00014-08-1-0653. T. J.R. Hughes was sup- 16...T-spline Construction Using Boolean Operations 17 ported by ONR Grant N00014-08-1-0992, NSF GOALI CMI-0700807/0700204, NSF CMMI-1101007 and a SINTEF

Gradient-based optimization with B-splines on sparse grids for solving forward-dynamics simulations of three-dimensional, continuum-mechanical musculoskeletal system models.

PubMed

Valentin, J; Sprenger, M; Pflüger, D; Röhrle, O

2018-05-01

Investigating the interplay between muscular activity and motion is the basis to improve our understanding of healthy or diseased musculoskeletal systems. To be able to analyze the musculoskeletal systems, computational models are used. Albeit some severe modeling assumptions, almost all existing musculoskeletal system simulations appeal to multibody simulation frameworks. Although continuum-mechanical musculoskeletal system models can compensate for some of these limitations, they are essentially not considered because of their computational complexity and cost. The proposed framework is the first activation-driven musculoskeletal system model, in which the exerted skeletal muscle forces are computed using 3-dimensional, continuum-mechanical skeletal muscle models and in which muscle activations are determined based on a constraint optimization problem. Numerical feasibility is achieved by computing sparse grid surrogates with hierarchical B-splines, and adaptive sparse grid refinement further reduces the computational effort. The choice of B-splines allows the use of all existing gradient-based optimization techniques without further numerical approximation. This paper demonstrates that the resulting surrogates have low relative errors (less than 0.76%) and can be used within forward simulations that are subject to constraint optimization. To demonstrate this, we set up several different test scenarios in which an upper limb model consisting of the elbow joint, the biceps and triceps brachii, and an external load is subjected to different optimization criteria. Even though this novel method has only been demonstrated for a 2-muscle system, it can easily be extended to musculoskeletal systems with 3 or more muscles. Copyright © 2018 John Wiley & Sons, Ltd.

Smoothing two-dimensional Malaysian mortality data using P-splines indexed by age and year

NASA Astrophysics Data System (ADS)

Kamaruddin, Halim Shukri; Ismail, Noriszura

2014-06-01

Nonparametric regression implements data to derive the best coefficient of a model from a large class of flexible functions. Eilers and Marx (1996) introduced P-splines as a method of smoothing in generalized linear models, GLMs, in which the ordinary B-splines with a difference roughness penalty on coefficients is being used in a single dimensional mortality data. Modeling and forecasting mortality rate is a problem of fundamental importance in insurance company calculation in which accuracy of models and forecasts are the main concern of the industry. The original idea of P-splines is extended to two dimensional mortality data. The data indexed by age of death and year of death, in which the large set of data will be supplied by Department of Statistics Malaysia. The extension of this idea constructs the best fitted surface and provides sensible prediction of the underlying mortality rate in Malaysia mortality case.

MRI non-uniformity correction through interleaved bias estimation and B-spline deformation with a template.

PubMed

Fletcher, E; Carmichael, O; Decarli, C

2012-01-01

We propose a template-based method for correcting field inhomogeneity biases in magnetic resonance images (MRI) of the human brain. At each algorithm iteration, the update of a B-spline deformation between an unbiased template image and the subject image is interleaved with estimation of a bias field based on the current template-to-image alignment. The bias field is modeled using a spatially smooth thin-plate spline interpolation based on ratios of local image patch intensity means between the deformed template and subject images. This is used to iteratively correct subject image intensities which are then used to improve the template-to-image deformation. Experiments on synthetic and real data sets of images with and without Alzheimer's disease suggest that the approach may have advantages over the popular N3 technique for modeling bias fields and narrowing intensity ranges of gray matter, white matter, and cerebrospinal fluid. This bias field correction method has the potential to be more accurate than correction schemes based solely on intrinsic image properties or hypothetical image intensity distributions.

MRI Non-Uniformity Correction Through Interleaved Bias Estimation and B-Spline Deformation with a Template*

PubMed Central

Fletcher, E.; Carmichael, O.; DeCarli, C.

2013-01-01

We propose a template-based method for correcting field inhomogeneity biases in magnetic resonance images (MRI) of the human brain. At each algorithm iteration, the update of a B-spline deformation between an unbiased template image and the subject image is interleaved with estimation of a bias field based on the current template-to-image alignment. The bias field is modeled using a spatially smooth thin-plate spline interpolation based on ratios of local image patch intensity means between the deformed template and subject images. This is used to iteratively correct subject image intensities which are then used to improve the template-to-image deformation. Experiments on synthetic and real data sets of images with and without Alzheimer’s disease suggest that the approach may have advantages over the popular N3 technique for modeling bias fields and narrowing intensity ranges of gray matter, white matter, and cerebrospinal fluid. This bias field correction method has the potential to be more accurate than correction schemes based solely on intrinsic image properties or hypothetical image intensity distributions. PMID:23365843

Spline screw payload fastening system

NASA Technical Reports Server (NTRS)

Vranish, John M. (Inventor)

1993-01-01

A system for coupling an orbital replacement unit (ORU) to a space station structure via the actions of a robot and/or astronaut is described. This system provides mechanical and electrical connections both between the ORU and the space station structure and between the ORU and the ORU and the robot/astronaut hand tool. Alignment and timing features ensure safe, sure handling and precision coupling. This includes a first female type spline connector selectively located on the space station structure, a male type spline connector positioned on the orbital replacement unit so as to mate with and connect to the first female type spline connector, and a second female type spline connector located on the orbital replacement unit. A compliant drive rod interconnects the second female type spline connector and the male type spline connector. A robotic special end effector is used for mating with and driving the second female type spline connector. Also included are alignment tabs exteriorally located on the orbital replacement unit for berthing with the space station structure. The first and second female type spline connectors each include a threaded bolt member having a captured nut member located thereon which can translate up and down the bolt but are constrained from rotation thereabout, the nut member having a mounting surface with at least one first type electrical connector located on the mounting surface for translating with the nut member. At least one complementary second type electrical connector on the orbital replacement unit mates with at least one first type electrical connector on the mounting surface of the nut member. When the driver on the robotic end effector mates with the second female type spline connector and rotates, the male type spline connector and the first female type spline connector lock together, the driver and the second female type spline connector lock together, and the nut members translate up the threaded bolt members carrying the

Sequential and simultaneous SLAR block adjustment. [spline function analysis for mapping

NASA Technical Reports Server (NTRS)

Leberl, F.

1975-01-01

Two sequential methods of planimetric SLAR (Side Looking Airborne Radar) block adjustment, with and without splines, and three simultaneous methods based on the principles of least squares are evaluated. A limited experiment with simulated SLAR images indicates that sequential block formation with splines followed by external interpolative adjustment is superior to the simultaneous methods such as planimetric block adjustment with similarity transformations. The use of the sequential block formation is recommended, since it represents an inexpensive tool for satisfactory point determination from SLAR images.

Spline-based procedures for dose-finding studies with active control

PubMed Central

Helms, Hans-Joachim; Benda, Norbert; Zinserling, Jörg; Kneib, Thomas; Friede, Tim

2015-01-01

In a dose-finding study with an active control, several doses of a new drug are compared with an established drug (the so-called active control). One goal of such studies is to characterize the dose–response relationship and to find the smallest target dose concentration d*, which leads to the same efficacy as the active control. For this purpose, the intersection point of the mean dose–response function with the expected efficacy of the active control has to be estimated. The focus of this paper is a cubic spline-based method for deriving an estimator of the target dose without assuming a specific dose–response function. Furthermore, the construction of a spline-based bootstrap CI is described. Estimator and CI are compared with other flexible and parametric methods such as linear spline interpolation as well as maximum likelihood regression in simulation studies motivated by a real clinical trial. Also, design considerations for the cubic spline approach with focus on bias minimization are presented. Although the spline-based point estimator can be biased, designs can be chosen to minimize and reasonably limit the maximum absolute bias. Furthermore, the coverage probability of the cubic spline approach is satisfactory, especially for bias minimal designs. © 2014 The Authors. Statistics in Medicine Published by John Wiley & Sons Ltd. PMID:25319931

Analyzing degradation data with a random effects spline regression model

DOE PAGES

Fugate, Michael Lynn; Hamada, Michael Scott; Weaver, Brian Phillip

2017-03-17

This study proposes using a random effects spline regression model to analyze degradation data. Spline regression avoids having to specify a parametric function for the true degradation of an item. A distribution for the spline regression coefficients captures the variation of the true degradation curves from item to item. We illustrate the proposed methodology with a real example using a Bayesian approach. The Bayesian approach allows prediction of degradation of a population over time and estimation of reliability is easy to perform.

Analyzing degradation data with a random effects spline regression model

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

Fugate, Michael Lynn; Hamada, Michael Scott; Weaver, Brian Phillip

This study proposes using a random effects spline regression model to analyze degradation data. Spline regression avoids having to specify a parametric function for the true degradation of an item. A distribution for the spline regression coefficients captures the variation of the true degradation curves from item to item. We illustrate the proposed methodology with a real example using a Bayesian approach. The Bayesian approach allows prediction of degradation of a population over time and estimation of reliability is easy to perform.

Theory, computation, and application of exponential splines

NASA Technical Reports Server (NTRS)

Mccartin, B. J.

1981-01-01

A generalization of the semiclassical cubic spline known in the literature as the exponential spline is discussed. In actuality, the exponential spline represents a continuum of interpolants ranging from the cubic spline to the linear spline. A particular member of this family is uniquely specified by the choice of certain tension parameters. The theoretical underpinnings of the exponential spline are outlined. This development roughly parallels the existing theory for cubic splines. The primary extension lies in the ability of the exponential spline to preserve convexity and monotonicity present in the data. Next, the numerical computation of the exponential spline is discussed. A variety of numerical devices are employed to produce a stable and robust algorithm. An algorithm for the selection of tension parameters that will produce a shape preserving approximant is developed. A sequence of selected curve-fitting examples are presented which clearly demonstrate the advantages of exponential splines over cubic splines.

2-Dimensional B-Spline Algorithms with Applications to Ray Tracing in Media of Spatially-Varying Refractive Index

DTIC Science & Technology

2007-08-01

In the approach, photon trajectories are computed using a solution of the Eikonal equation (ray-tracing methods) rather than linear trajectories. The...coupling the radiative transport solution into heat transfer and damage models. 15. SUBJECT TERMS: B-Splines, Ray-Tracing, Eikonal Equation...multi-layer biological tissue model. In the approach, photon trajectories are computed using a solution of the Eikonal equation (ray-tracing methods

PetIGA-MF: A multi-field high-performance toolbox for structure-preserving B-splines spaces

DOE PAGES

Sarmiento, Adel; Cortes, Adriano; Garcia, Daniel; ...

2016-10-07

We describe the development of a high-performance solution framework for isogeometric discrete differential forms based on B-splines: PetIGA-MF. Built on top of PetIGA, PetIGA-MF is a general multi-field discretization tool. To test the capabilities of our implementation, we solve different viscous flow problems such as Darcy, Stokes, Brinkman, and Navier-Stokes equations. Several convergence benchmarks based on manufactured solutions are presented assuring optimal convergence rates of the approximations, showing the accuracy and robustness of our solver.

Illumination estimation via thin-plate spline interpolation.

PubMed

Shi, Lilong; Xiong, Weihua; Funt, Brian

2011-05-01

Thin-plate spline interpolation is used to interpolate the chromaticity of the color of the incident scene illumination across a training set of images. Given the image of a scene under unknown illumination, the chromaticity of the scene illumination can be found from the interpolated function. The resulting illumination-estimation method can be used to provide color constancy under changing illumination conditions and automatic white balancing for digital cameras. A thin-plate spline interpolates over a nonuniformly sampled input space, which in this case is a training set of image thumbnails and associated illumination chromaticities. To reduce the size of the training set, incremental k medians are applied. Tests on real images demonstrate that the thin-plate spline method can estimate the color of the incident illumination quite accurately, and the proposed training set pruning significantly decreases the computation.

Thin-plate spline quadrature of geodetic integrals

NASA Technical Reports Server (NTRS)

Vangysen, Herman

1989-01-01

Thin-plate spline functions (known for their flexibility and fidelity in representing experimental data) are especially well-suited for the numerical integration of geodetic integrals in the area where the integration is most sensitive to the data, i.e., in the immediate vicinity of the evaluation point. Spline quadrature rules are derived for the contribution of a circular innermost zone to Stoke's formula, to the formulae of Vening Meinesz, and to the recursively evaluated operator L(n) in the analytical continuation solution of Molodensky's problem. These rules are exact for interpolating thin-plate splines. In cases where the integration data are distributed irregularly, a system of linear equations needs to be solved for the quadrature coefficients. Formulae are given for the terms appearing in these equations. In case the data are regularly distributed, the coefficients may be determined once-and-for-all. Examples are given of some fixed-point rules. With such rules successive evaluation, within a circular disk, of the terms in Molodensky's series becomes relatively easy. The spline quadrature technique presented complements other techniques such as ring integration for intermediate integration zones.

Smoothing data series by means of cubic splines: quality of approximation and introduction of a repeating spline approach

NASA Astrophysics Data System (ADS)

Wüst, Sabine; Wendt, Verena; Linz, Ricarda; Bittner, Michael

2017-09-01

Cubic splines with equidistant spline sampling points are a common method in atmospheric science, used for the approximation of background conditions by means of filtering superimposed fluctuations from a data series. What is defined as background or superimposed fluctuation depends on the specific research question. The latter also determines whether the spline or the residuals - the subtraction of the spline from the original time series - are further analysed.Based on test data sets, we show that the quality of approximation of the background state does not increase continuously with an increasing number of spline sampling points and/or decreasing distance between two spline sampling points. Splines can generate considerable artificial oscillations in the background and the residuals.We introduce a repeating spline approach which is able to significantly reduce this phenomenon. We apply it not only to the test data but also to TIMED-SABER temperature data and choose the distance between two spline sampling points in a way that is sensitive for a large spectrum of gravity waves.

Automatic and accurate reconstruction of distal humerus contours through B-Spline fitting based on control polygon deformation.

PubMed

Mostafavi, Kamal; Tutunea-Fatan, O Remus; Bordatchev, Evgueni V; Johnson, James A

2014-12-01

The strong advent of computer-assisted technologies experienced by the modern orthopedic surgery prompts for the expansion of computationally efficient techniques to be built on the broad base of computer-aided engineering tools that are readily available. However, one of the common challenges faced during the current developmental phase continues to remain the lack of reliable frameworks to allow a fast and precise conversion of the anatomical information acquired through computer tomography to a format that is acceptable to computer-aided engineering software. To address this, this study proposes an integrated and automatic framework capable to extract and then postprocess the original imaging data to a common planar and closed B-Spline representation. The core of the developed platform relies on the approximation of the discrete computer tomography data by means of an original two-step B-Spline fitting technique based on successive deformations of the control polygon. In addition to its rapidity and robustness, the developed fitting technique was validated to produce accurate representations that do not deviate by more than 0.2 mm with respect to alternate representations of the bone geometry that were obtained through different-contact-based-data acquisition or data processing methods. © IMechE 2014.

Automatic optimal filament segmentation with sub-pixel accuracy using generalized linear models and B-spline level-sets.

PubMed

Xiao, Xun; Geyer, Veikko F; Bowne-Anderson, Hugo; Howard, Jonathon; Sbalzarini, Ivo F

2016-08-01

Biological filaments, such as actin filaments, microtubules, and cilia, are often imaged using different light-microscopy techniques. Reconstructing the filament curve from the acquired images constitutes the filament segmentation problem. Since filaments have lower dimensionality than the image itself, there is an inherent trade-off between tracing the filament with sub-pixel accuracy and avoiding noise artifacts. Here, we present a globally optimal filament segmentation method based on B-spline vector level-sets and a generalized linear model for the pixel intensity statistics. We show that the resulting optimization problem is convex and can hence be solved with global optimality. We introduce a simple and efficient algorithm to compute such optimal filament segmentations, and provide an open-source implementation as an ImageJ/Fiji plugin. We further derive an information-theoretic lower bound on the filament segmentation error, quantifying how well an algorithm could possibly do given the information in the image. We show that our algorithm asymptotically reaches this bound in the spline coefficients. We validate our method in comprehensive benchmarks, compare with other methods, and show applications from fluorescence, phase-contrast, and dark-field microscopy. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

RATIONAL SPLINE SUBROUTINES

NASA Technical Reports Server (NTRS)

Schiess, J. R.

1994-01-01

Scientific data often contains random errors that make plotting and curve-fitting difficult. The Rational-Spline Approximation with Automatic Tension Adjustment algorithm lead to a flexible, smooth representation of experimental data. The user sets the conditions for each consecutive pair of knots:(knots are user-defined divisions in the data set) to apply no tension; to apply fixed tension; or to determine tension with a tension adjustment algorithm. The user also selects the number of knots, the knot abscissas, and the allowed maximum deviations from line segments. The selection of these quantities depends on the actual data and on the requirements of a particular application. This program differs from the usual spline under tension in that it allows the user to specify different tension values between each adjacent pair of knots rather than a constant tension over the entire data range. The subroutines use an automatic adjustment scheme that varies the tension parameter for each interval until the maximum deviation of the spline from the line joining the knots is less than or equal to a user-specified amount. This procedure frees the user from the drudgery of adjusting individual tension parameters while still giving control over the local behavior of the spline The Rational Spline program was written completely in FORTRAN for implementation on a CYBER 850 operating under NOS. It has a central memory requirement of approximately 1500 words. The program was released in 1988.

BSR: B-spline atomic R-matrix codes

NASA Astrophysics Data System (ADS)

Zatsarinny, Oleg

2006-02-01

BSR is a general program to calculate atomic continuum processes using the B-spline R-matrix method, including electron-atom and electron-ion scattering, and radiative processes such as bound-bound transitions, photoionization and polarizabilities. The calculations can be performed in LS-coupling or in an intermediate-coupling scheme by including terms of the Breit-Pauli Hamiltonian. New version program summaryTitle of program: BSR Catalogue identifier: ADWY Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADWY Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Computers on which the program has been tested: Microway Beowulf cluster; Compaq Beowulf cluster; DEC Alpha workstation; DELL PC Operating systems under which the new version has been tested: UNIX, Windows XP Programming language used: FORTRAN 95 Memory required to execute with typical data: Typically 256-512 Mwords. Since all the principal dimensions are allocatable, the available memory defines the maximum complexity of the problem No. of bits in a word: 8 No. of processors used: 1 Has the code been vectorized or parallelized?: no No. of lines in distributed program, including test data, etc.: 69 943 No. of bytes in distributed program, including test data, etc.: 746 450 Peripherals used: scratch disk store; permanent disk store Distribution format: tar.gz Nature of physical problem: This program uses the R-matrix method to calculate electron-atom and electron-ion collision processes, with options to calculate radiative data, photoionization, etc. The calculations can be performed in LS-coupling or in an intermediate-coupling scheme, with options to include Breit-Pauli terms in the Hamiltonian. Method of solution: The R-matrix method is used [P.G. Burke, K.A. Berrington, Atomic and Molecular Processes: An R-Matrix Approach, IOP Publishing, Bristol, 1993; P.G. Burke, W.D. Robb, Adv. At. Mol. Phys. 11 (1975) 143; K.A. Berrington, W.B. Eissner, P.H. Norrington, Comput

A meshless method using radial basis functions for numerical solution of the two-dimensional KdV-Burgers equation

NASA Astrophysics Data System (ADS)

Zabihi, F.; Saffarian, M.

2016-07-01

The aim of this article is to obtain the numerical solution of the two-dimensional KdV-Burgers equation. We construct the solution by using a different approach, that is based on using collocation points. The solution is based on using the thin plate splines radial basis function, which builds an approximated solution with discretizing the time and the space to small steps. We use a predictor-corrector scheme to avoid solving the nonlinear system. The results of numerical experiments are compared with analytical solutions to confirm the accuracy and efficiency of the presented scheme.

Quadratic spline subroutine package

USGS Publications Warehouse

Rasmussen, Lowell A.

1982-01-01

A continuous piecewise quadratic function with continuous first derivative is devised for approximating a single-valued, but unknown, function represented by a set of discrete points. The quadratic is proposed as a treatment intermediate between using the angular (but reliable, easily constructed and manipulated) piecewise linear function and using the smoother (but occasionally erratic) cubic spline. Neither iteration nor the solution of a system of simultaneous equations is necessary to determining the coefficients. Several properties of the quadratic function are given. A set of five short FORTRAN subroutines is provided for generating the coefficients (QSC), finding function value and derivatives (QSY), integrating (QSI), finding extrema (QSE), and computing arc length and the curvature-squared integral (QSK). (USGS)

A cubic spline approximation for problems in fluid mechanics

NASA Technical Reports Server (NTRS)

Rubin, S. G.; Graves, R. A., Jr.

1975-01-01

A cubic spline approximation is presented which is suited for many fluid-mechanics problems. This procedure provides a high degree of accuracy, even with a nonuniform mesh, and leads to an accurate treatment of derivative boundary conditions. The truncation errors and stability limitations of several implicit and explicit integration schemes are presented. For two-dimensional flows, a spline-alternating-direction-implicit method is evaluated. The spline procedure is assessed, and results are presented for the one-dimensional nonlinear Burgers' equation, as well as the two-dimensional diffusion equation and the vorticity-stream function system describing the viscous flow in a driven cavity. Comparisons are made with analytic solutions for the first two problems and with finite-difference calculations for the cavity flow.

G/SPLINES: A hybrid of Friedman's Multivariate Adaptive Regression Splines (MARS) algorithm with Holland's genetic algorithm

NASA Technical Reports Server (NTRS)

Rogers, David

1991-01-01

G/SPLINES are a hybrid of Friedman's Multivariable Adaptive Regression Splines (MARS) algorithm with Holland's Genetic Algorithm. In this hybrid, the incremental search is replaced by a genetic search. The G/SPLINE algorithm exhibits performance comparable to that of the MARS algorithm, requires fewer least squares computations, and allows significantly larger problems to be considered.

Coupled B-snake grids and constrained thin-plate splines for analysis of 2-D tissue deformations from tagged MRI.

PubMed

Amini, A A; Chen, Y; Curwen, R W; Mani, V; Sun, J

1998-06-01

Magnetic resonance imaging (MRI) is unique in its ability to noninvasively and selectively alter tissue magnetization and create tagged patterns within a deforming body such as the heart muscle. The resulting patterns define a time-varying curvilinear coordinate system on the tissue, which we track with coupled B-snake grids. B-spline bases provide local control of shape, compact representation, and parametric continuity. Efficient spline warps are proposed which warp an area in the plane such that two embedded snake grids obtained from two tagged frames are brought into registration, interpolating a dense displacement vector field. The reconstructed vector field adheres to the known displacement information at the intersections, forces corresponding snakes to be warped into one another, and for all other points in the plane, where no information is available, a C1 continuous vector field is interpolated. The implementation proposed in this paper improves on our previous variational-based implementation and generalizes warp methods to include biologically relevant contiguous open curves, in addition to standard landmark points. The methods are validated with a cardiac motion simulator, in addition to in-vivo tagging data sets.

A B-spline image registration based CAD scheme to evaluate drug treatment response of ovarian cancer patients

NASA Astrophysics Data System (ADS)

Tan, Maxine; Li, Zheng; Moore, Kathleen; Thai, Theresa; Ding, Kai; Liu, Hong; Zheng, Bin

2016-03-01

Ovarian cancer is the second most common cancer amongst gynecologic malignancies, and has the highest death rate. Since the majority of ovarian cancer patients (>75%) are diagnosed in the advanced stage with tumor metastasis, chemotherapy is often required after surgery to remove the primary ovarian tumors. In order to quickly assess patient response to the chemotherapy in the clinical trials, two sets of CT examinations are taken pre- and post-therapy (e.g., after 6 weeks). Treatment efficacy is then evaluated based on Response Evaluation Criteria in Solid Tumors (RECIST) guideline, whereby tumor size is measured by the longest diameter on one CT image slice and only a subset of selected tumors are tracked. However, this criterion cannot fully represent the volumetric changes of the tumors and might miss potentially problematic unmarked tumors. Thus, we developed a new CAD approach to measure and analyze volumetric tumor growth/shrinkage using a cubic B-spline deformable image registration method. In this initial study, on 14 sets of pre- and post-treatment CT scans, we registered the two consecutive scans using cubic B-spline registration in a multiresolution (from coarse to fine) framework. We used Mattes mutual information metric as the similarity criterion and the L-BFGS-B optimizer. The results show that our method can quantify volumetric changes in the tumors more accurately than RECIST, and also detect (highlight) potentially problematic regions that were not originally targeted by radiologists. Despite the encouraging results of this preliminary study, further validation of scheme performance is required using large and diverse datasets in future.

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

NASA Astrophysics Data System (ADS)

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

2016-04-01

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

Landmark-based elastic registration using approximating thin-plate splines.

PubMed

Rohr, K; Stiehl, H S; Sprengel, R; Buzug, T M; Weese, J; Kuhn, M H

2001-06-01

We consider elastic image registration based on a set of corresponding anatomical point landmarks and approximating thin-plate splines. This approach is an extension of the original interpolating thin-plate spline approach and allows to take into account landmark localization errors. The extension is important for clinical applications since landmark extraction is always prone to error. Our approach is based on a minimizing functional and can cope with isotropic as well as anisotropic landmark errors. In particular, in the latter case it is possible to include different types of landmarks, e.g., unique point landmarks as well as arbitrary edge points. Also, the scheme is general with respect to the image dimension and the order of smoothness of the underlying functional. Optimal affine transformations as well as interpolating thin-plate splines are special cases of this scheme. To localize landmarks we use a semi-automatic approach which is based on three-dimensional (3-D) differential operators. Experimental results are presented for two-dimensional as well as 3-D tomographic images of the human brain.

The computation of Laplacian smoothing splines with examples

NASA Technical Reports Server (NTRS)

Wendelberger, J. G.

1982-01-01

Laplacian smoothing splines (LSS) are presented as generalizations of graduation, cubic and thin plate splines. The method of generalized cross validation (GCV) to choose the smoothing parameter is described. The GCV is used in the algorithm for the computation of LSS's. An outline of a computer program which implements this algorithm is presented along with a description of the use of the program. Examples in one, two and three dimensions demonstrate how to obtain estimates of function values with confidence intervals and estimates of first and second derivatives. Probability plots are used as a diagnostic tool to check for model inadequacy.

Gear Spline Coupling Program

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

Guo, Yi; Errichello, Robert

2013-08-29

An analytical model is developed to evaluate the design of a spline coupling. For a given torque and shaft misalignment, the model calculates the number of teeth in contact, tooth loads, stiffnesses, stresses, and safety factors. The analytic model provides essential spline coupling design and modeling information and could be easily integrated into gearbox design and simulation tools.

A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error.

PubMed

Plumley, Joshua A; Dannenberg, J J

2011-06-01

We evaluate the performance of ten functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D, and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-density functional theory (non-DFT) molecular orbital (MO) calculations and to experimental results. Several of the smaller basis sets lead to qualitatively incorrect geometries when optimized on a normal potential energy surface (PES). This problem disappears when the optimization is performed on a counterpoise (CP) corrected PES. The calculated interaction energies (ΔEs) with the largest basis sets vary from -4.42 (B97D) to -5.19 (B2PLYPD) kcal/mol for the different functionals. Small basis sets generally predict stronger interactions than the large ones. We found that, because of error compensation, the smaller basis sets gave the best results (in comparison to experimental and high-level non-DFT MO calculations) when combined with a functional that predicts a weak interaction with the largest basis set. As many applications are complex systems and require economical calculations, we suggest the following functional/basis set combinations in order of increasing complexity and cost: (1) D95(d,p) with B3LYP, B97D, M06, or MPWB1k; (2) 6-311G(d,p) with B3LYP; (3) D95++(d,p) with B3LYP, B97D, or MPWB1K; (4) 6-311++G(d,p) with B3LYP or B97D; and (5) aug-cc-pVDZ with M05-2X, M06-2X, or X3LYP. Copyright © 2011 Wiley Periodicals, Inc.

Nonrigid Image Registration in Digital Subtraction Angiography Using Multilevel B-Spline

PubMed Central

2013-01-01

We address the problem of motion artifact reduction in digital subtraction angiography (DSA) using image registration techniques. Most of registration algorithms proposed for application in DSA, have been designed for peripheral and cerebral angiography images in which we mainly deal with global rigid motions. These algorithms did not yield good results when applied to coronary angiography images because of complex nonrigid motions that exist in this type of angiography images. Multiresolution and iterative algorithms are proposed to cope with this problem, but these algorithms are associated with high computational cost which makes them not acceptable for real-time clinical applications. In this paper we propose a nonrigid image registration algorithm for coronary angiography images that is significantly faster than multiresolution and iterative blocking methods and outperforms competing algorithms evaluated on the same data sets. This algorithm is based on a sparse set of matched feature point pairs and the elastic registration is performed by means of multilevel B-spline image warping. Experimental results with several clinical data sets demonstrate the effectiveness of our approach. PMID:23971026

Modeling respiratory mechanics in the MCAT and spline-based MCAT phantoms

NASA Astrophysics Data System (ADS)

Segars, W. P.; Lalush, D. S.; Tsui, B. M. W.

2001-02-01

Respiratory motion can cause artifacts in myocardial SPECT and computed tomography (CT). The authors incorporate models of respiratory mechanics into the current 4D MCAT and into the next generation spline-based MCAT phantoms. In order to simulate respiratory motion in the current MCAT phantom, the geometric solids for the diaphragm, heart, ribs, and lungs were altered through manipulation of parameters defining them. Affine transformations were applied to the control points defining the same respiratory structures in the spline-based MCAT phantom to simulate respiratory motion. The Non-Uniform Rational B-Spline (NURBS) surfaces for the lungs and body outline were constructed in such a way as to be linked to the surrounding ribs. Expansion and contraction of the thoracic cage then coincided with expansion and contraction of the lungs and body. The changes both phantoms underwent were spline-interpolated over time to create time continuous 4D respiratory models. The authors then used the geometry-based and spline-based MCAT phantoms in an initial simulation study of the effects of respiratory motion on myocardial SPECT. The simulated reconstructed images demonstrated distinct artifacts in the inferior region of the myocardium. It is concluded that both respiratory models can be effective tools for researching effects of respiratory motion.

Automatic optimal filament segmentation with sub-pixel accuracy using generalized linear models and B-spline level-sets

PubMed Central

Xiao, Xun; Geyer, Veikko F.; Bowne-Anderson, Hugo; Howard, Jonathon; Sbalzarini, Ivo F.

2016-01-01

Biological filaments, such as actin filaments, microtubules, and cilia, are often imaged using different light-microscopy techniques. Reconstructing the filament curve from the acquired images constitutes the filament segmentation problem. Since filaments have lower dimensionality than the image itself, there is an inherent trade-off between tracing the filament with sub-pixel accuracy and avoiding noise artifacts. Here, we present a globally optimal filament segmentation method based on B-spline vector level-sets and a generalized linear model for the pixel intensity statistics. We show that the resulting optimization problem is convex and can hence be solved with global optimality. We introduce a simple and efficient algorithm to compute such optimal filament segmentations, and provide an open-source implementation as an ImageJ/Fiji plugin. We further derive an information-theoretic lower bound on the filament segmentation error, quantifying how well an algorithm could possibly do given the information in the image. We show that our algorithm asymptotically reaches this bound in the spline coefficients. We validate our method in comprehensive benchmarks, compare with other methods, and show applications from fluorescence, phase-contrast, and dark-field microscopy. PMID:27104582

Automatic lung lobe segmentation of COPD patients using iterative B-spline fitting

NASA Astrophysics Data System (ADS)

Shamonin, D. P.; Staring, M.; Bakker, M. E.; Xiao, C.; Stolk, J.; Reiber, J. H. C.; Stoel, B. C.

2012-02-01

We present an automatic lung lobe segmentation algorithm for COPD patients. The method enhances fissures, removes unlikely fissure candidates, after which a B-spline is fitted iteratively through the remaining candidate objects. The iterative fitting approach circumvents the need to classify each object as being part of the fissure or being noise, and allows the fissure to be detected in multiple disconnected parts. This property is beneficial for good performance in patient data, containing incomplete and disease-affected fissures. The proposed algorithm is tested on 22 COPD patients, resulting in accurate lobe-based densitometry, and a median overlap of the fissure (defined 3 voxels wide) with an expert ground truth of 0.65, 0.54 and 0.44 for the three main fissures. This compares to complete lobe overlaps of 0.99, 0.98, 0.98, 0.97 and 0.87 for the five main lobes, showing promise for lobe segmentation on data of patients with moderate to severe COPD.

A Comparison of the Behavior of Functional/Basis Set Combinations for Hydrogen-Bonding in the Water Dimer with Emphasis on Basis Set Superposition Error

PubMed Central

Plumley, Joshua A.; Dannenberg, J. J.

2011-01-01

We evaluate the performance of nine functionals (B3LYP, M05, M05-2X, M06, M06-2X, B2PLYP, B2PLYPD, X3LYP, B97D and MPWB1K) in combination with 16 basis sets ranging in complexity from 6-31G(d) to aug-cc-pV5Z for the calculation of the H-bonded water dimer with the goal of defining which combinations of functionals and basis sets provide a combination of economy and accuracy for H-bonded systems. We have compared the results to the best non-DFT molecular orbital calculations and to experimental results. Several of the smaller basis sets lead to qualitatively incorrect geometries when optimized on a normal potential energy surface (PES). This problem disappears when the optimization is performed on a counterpoise corrected PES. The calculated ΔE's with the largest basis sets vary from -4.42 (B97D) to -5.19 (B2PLYPD) kcal/mol for the different functionals. Small basis sets generally predict stronger interactions than the large ones. We found that, due to error compensation, the smaller basis sets gave the best results (in comparison to experimental and high level non-DFT MO calculations) when combined with a functional that predicts a weak interaction with the largest basis set. Since many applications are complex systems and require economical calculations, we suggest the following functional/basis set combinations in order of increasing complexity and cost: 1) D95(d,p) with B3LYP, B97D, M06 or MPWB1k; 2) 6-311G(d,p) with B3LYP; 3) D95++(d,p) with B3LYP, B97D or MPWB1K; 4)6-311++G(d,p) with B3LYP or B97D; and 5) aug-cc-pVDZ with M05-2X, M06-2X or X3LYP. PMID:21328398

The numerical study and comparison of radial basis functions in applications of the dual reciprocity boundary element method to convection-diffusion problems

NASA Astrophysics Data System (ADS)

Chanthawara, Krittidej; Kaennakham, Sayan; Toutip, Wattana

2016-02-01

The methodology of Dual Reciprocity Boundary Element Method (DRBEM) is applied to the convection-diffusion problems and investigating its performance is our first objective of the work. Seven types of Radial Basis Functions (RBF); Linear, Thin-plate Spline, Cubic, Compactly Supported, Inverse Multiquadric, Quadratic, and that proposed by [12], were closely investigated in order to numerically compare their effectiveness drawbacks etc. and this is taken as our second objective. A sufficient number of simulations were performed covering as many aspects as possible. Varidated against both exacts and other numerical works, the final results imply strongly that the Thin-Plate Spline and Linear type of RBF are superior to others in terms of both solutions' quality and CPU-time spent while the Inverse Multiquadric seems to poorly yield the results. It is also found that DRBEM can perform relatively well at moderate level of convective force and as anticipated becomes unstable when the problem becomes more convective-dominated, as normally found in all classical mesh-dependence methods.

Spline function approximation techniques for image geometric distortion representation. [for registration of multitemporal remote sensor imagery

NASA Technical Reports Server (NTRS)

Anuta, P. E.

1975-01-01

Least squares approximation techniques were developed for use in computer aided correction of spatial image distortions for registration of multitemporal remote sensor imagery. Polynomials were first used to define image distortion over the entire two dimensional image space. Spline functions were then investigated to determine if the combination of lower order polynomials could approximate a higher order distortion with less computational difficulty. Algorithms for generating approximating functions were developed and applied to the description of image distortion in aircraft multispectral scanner imagery. Other applications of the techniques were suggested for earth resources data processing areas other than geometric distortion representation.

A mass-conserving mixed Fourier-Galerkin B-Spline-collocation method for Direct Numerical Simulation of the variable-density Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Reuter, Bryan; Oliver, Todd; Lee, M. K.; Moser, Robert

2017-11-01

We present an algorithm for a Direct Numerical Simulation of the variable-density Navier-Stokes equations based on the velocity-vorticity approach introduced by Kim, Moin, and Moser (1987). In the current work, a Helmholtz decomposition of the momentum is performed. Evolution equations for the curl and the Laplacian of the divergence-free portion are formulated by manipulation of the momentum equations and the curl-free portion is reconstructed by enforcing continuity. The solution is expanded in Fourier bases in the homogeneous directions and B-Spline bases in the inhomogeneous directions. Discrete equations are obtained through a mixed Fourier-Galerkin and collocation weighted residual method. The scheme is designed such that the numerical solution conserves mass locally and globally by ensuring the discrete divergence projection is exact through the use of higher order splines in the inhomogeneous directions. The formulation is tested on multiple variable-density flow problems.

Quadratures with multiple nodes, power orthogonality, and moment-preserving spline approximation

NASA Astrophysics Data System (ADS)

Milovanovic, Gradimir V.

2001-01-01

Quadrature formulas with multiple nodes, power orthogonality, and some applications of such quadratures to moment-preserving approximation by defective splines are considered. An account on power orthogonality (s- and [sigma]-orthogonal polynomials) and generalized Gaussian quadratures with multiple nodes, including stable algorithms for numerical construction of the corresponding polynomials and Cotes numbers, are given. In particular, the important case of Chebyshev weight is analyzed. Finally, some applications in moment-preserving approximation of functions by defective splines are discussed.

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional calculation model

NASA Astrophysics Data System (ADS)

Legler, C. R.; Brown, N. R.; Dunbar, R. A.; Harness, M. D.; Nguyen, K.; Oyewole, O.; Collier, W. B.

2015-06-01

The Scaled Quantum Mechanical (SQM) method of scaling calculated force constants to predict theoretically calculated vibrational frequencies is expanded to include a broad array of polarized and augmented basis sets based on the split valence 6-31G and 6-311G basis sets with the B3LYP density functional. Pulay's original choice of a single polarized 6-31G(d) basis coupled with a B3LYP functional remains the most computationally economical choice for scaled frequency calculations. But it can be improved upon with additional polarization functions and added diffuse functions for complex molecular systems. The new scale factors for the B3LYP density functional and the 6-31G, 6-31G(d), 6-31G(d,p), 6-31G+(d,p), 6-31G++(d,p), 6-311G, 6-311G(d), 6-311G(d,p), 6-311G+(d,p), 6-311G++(d,p), 6-311G(2d,p), 6-311G++(2d,p), 6-311G++(df,p) basis sets are shown. The double d polarized models did not perform as well and the source of the decreased accuracy was investigated. An alternate system of generating internal coordinates that uses the out-of plane wagging coordinate whenever it is possible; makes vibrational assignments via potential energy distributions more meaningful. Automated software to produce SQM scaled vibrational calculations from different molecular orbital packages is presented.

Item Response Theory with Estimation of the Latent Population Distribution Using Spline-Based Densities

ERIC Educational Resources Information Center

Woods, Carol M.; Thissen, David

2006-01-01

The purpose of this paper is to introduce a new method for fitting item response theory models with the latent population distribution estimated from the data using splines. A spline-based density estimation system provides a flexible alternative to existing procedures that use a normal distribution, or a different functional form, for the…

Predicting protein concentrations with ELISA microarray assays, monotonic splines and Monte Carlo simulation

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

Daly, Don S.; Anderson, Kevin K.; White, Amanda M.

Background: A microarray of enzyme-linked immunosorbent assays, or ELISA microarray, predicts simultaneously the concentrations of numerous proteins in a small sample. These predictions, however, are uncertain due to processing error and biological variability. Making sound biological inferences as well as improving the ELISA microarray process require require both concentration predictions and creditable estimates of their errors. Methods: We present a statistical method based on monotonic spline statistical models, penalized constrained least squares fitting (PCLS) and Monte Carlo simulation (MC) to predict concentrations and estimate prediction errors in ELISA microarray. PCLS restrains the flexible spline to a fit of assay intensitymore » that is a monotone function of protein concentration. With MC, both modeling and measurement errors are combined to estimate prediction error. The spline/PCLS/MC method is compared to a common method using simulated and real ELISA microarray data sets. Results: In contrast to the rigid logistic model, the flexible spline model gave credible fits in almost all test cases including troublesome cases with left and/or right censoring, or other asymmetries. For the real data sets, 61% of the spline predictions were more accurate than their comparable logistic predictions; especially the spline predictions at the extremes of the prediction curve. The relative errors of 50% of comparable spline and logistic predictions differed by less than 20%. Monte Carlo simulation rendered acceptable asymmetric prediction intervals for both spline and logistic models while propagation of error produced symmetric intervals that diverged unrealistically as the standard curves approached horizontal asymptotes. Conclusions: The spline/PCLS/MC method is a flexible, robust alternative to a logistic/NLS/propagation-of-error method to reliably predict protein concentrations and estimate their errors. The spline method simplifies model selection and

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

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

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

In this paper we show that it is possible to use an iterative eigensolver in conjunction with Halverson and Poirier’s symmetrized Gaussian (SG) basis [T. Halverson and B. Poirier, J. Chem. Phys. 137, 224101 (2012)] to compute accurate vibrational energy levels of molecules with as many as five atoms. This is done, without storing and manipulating large matrices, by solving a regular eigenvalue problem that makes it possible to exploit direct-product structure. These ideas are combined with a new procedure for selecting which basis functions to use. The SG basis we work with is orders of magnitude smaller than themore » basis made by using a classical energy criterion. We find significant convergence errors in previous calculations with SG bases. For sum-of-product Hamiltonians, SG bases large enough to compute accurate levels are orders of magnitude larger than even simple pruned bases composed of products of harmonic oscillator functions.« less

A stochastic approach to estimate the uncertainty of dose mapping caused by uncertainties in b-spline registration

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

Hub, Martina; Thieke, Christian; Kessler, Marc L.

2012-04-15

Purpose: In fractionated radiation therapy, image guidance with daily tomographic imaging becomes more and more clinical routine. In principle, this allows for daily computation of the delivered dose and for accumulation of these daily dose distributions to determine the actually delivered total dose to the patient. However, uncertainties in the mapping of the images can translate into errors of the accumulated total dose, depending on the dose gradient. In this work, an approach to estimate the uncertainty of mapping between medical images is proposed that identifies areas bearing a significant risk of inaccurate dose accumulation. Methods: This method accounts formore » the geometric uncertainty of image registration and the heterogeneity of the dose distribution, which is to be mapped. Its performance is demonstrated in context of dose mapping based on b-spline registration. It is based on evaluation of the sensitivity of dose mapping to variations of the b-spline coefficients combined with evaluation of the sensitivity of the registration metric with respect to the variations of the coefficients. It was evaluated based on patient data that was deformed based on a breathing model, where the ground truth of the deformation, and hence the actual true dose mapping error, is known. Results: The proposed approach has the potential to distinguish areas of the image where dose mapping is likely to be accurate from other areas of the same image, where a larger uncertainty must be expected. Conclusions: An approach to identify areas where dose mapping is likely to be inaccurate was developed and implemented. This method was tested for dose mapping, but it may be applied in context of other mapping tasks as well.« less

A stochastic approach to estimate the uncertainty of dose mapping caused by uncertainties in b-spline registration

PubMed Central

Hub, Martina; Thieke, Christian; Kessler, Marc L.; Karger, Christian P.

2012-01-01

Purpose: In fractionated radiation therapy, image guidance with daily tomographic imaging becomes more and more clinical routine. In principle, this allows for daily computation of the delivered dose and for accumulation of these daily dose distributions to determine the actually delivered total dose to the patient. However, uncertainties in the mapping of the images can translate into errors of the accumulated total dose, depending on the dose gradient. In this work, an approach to estimate the uncertainty of mapping between medical images is proposed that identifies areas bearing a significant risk of inaccurate dose accumulation. Methods: This method accounts for the geometric uncertainty of image registration and the heterogeneity of the dose distribution, which is to be mapped. Its performance is demonstrated in context of dose mapping based on b-spline registration. It is based on evaluation of the sensitivity of dose mapping to variations of the b-spline coefficients combined with evaluation of the sensitivity of the registration metric with respect to the variations of the coefficients. It was evaluated based on patient data that was deformed based on a breathing model, where the ground truth of the deformation, and hence the actual true dose mapping error, is known. Results: The proposed approach has the potential to distinguish areas of the image where dose mapping is likely to be accurate from other areas of the same image, where a larger uncertainty must be expected. Conclusions: An approach to identify areas where dose mapping is likely to be inaccurate was developed and implemented. This method was tested for dose mapping, but it may be applied in context of other mapping tasks as well. PMID:22482640

Isogeometric Divergence-conforming B-splines for the Darcy-Stokes-Brinkman Equations

DTIC Science & Technology

2012-01-01

dimensionality ofQ0,h using T-splines [5]. However, a proof of mesh-independent discrete stability remains absent with this choice of pressure space ... the boundary ∂K +/− of element K+/−. With the above notation established, let us define the following bilinear form: a ∗h(w,v) = np∑ i=1 ( (2ν∇sw,∇sv...8.3 Two- Dimensional Problem with a Singular Solution To examine how our discretization performs in

Gearbox Reliability Collaborative Analytic Formulation for the Evaluation of Spline Couplings

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

Guo, Yi; Keller, Jonathan; Errichello, Robert

2013-12-01

Gearboxes in wind turbines have not been achieving their expected design life; however, they commonly meet and exceed the design criteria specified in current standards in the gear, bearing, and wind turbine industry as well as third-party certification criteria. The cost of gearbox replacements and rebuilds, as well as the down time associated with these failures, has elevated the cost of wind energy. The National Renewable Energy Laboratory (NREL) Gearbox Reliability Collaborative (GRC) was established by the U.S. Department of Energy in 2006; its key goal is to understand the root causes of premature gearbox failures and improve their reliabilitymore » using a combined approach of dynamometer testing, field testing, and modeling. As part of the GRC program, this paper investigates the design of the spline coupling often used in modern wind turbine gearboxes to connect the planetary and helical gear stages. Aside from transmitting the driving torque, another common function of the spline coupling is to allow the sun to float between the planets. The amount the sun can float is determined by the spline design and the sun shaft flexibility subject to the operational loads. Current standards address spline coupling design requirements in varying detail. This report provides additional insight beyond these current standards to quickly evaluate spline coupling designs.« less

Non-rigid image registration using a statistical spline deformation model.

PubMed

Loeckx, Dirk; Maes, Frederik; Vandermeulen, Dirk; Suetens, Paul

2003-07-01

We propose a statistical spline deformation model (SSDM) as a method to solve non-rigid image registration. Within this model, the deformation is expressed using a statistically trained B-spline deformation mesh. The model is trained by principal component analysis of a training set. This approach allows to reduce the number of degrees of freedom needed for non-rigid registration by only retaining the most significant modes of variation observed in the training set. User-defined transformation components, like affine modes, are merged with the principal components into a unified framework. Optimization proceeds along the transformation components rather then along the individual spline coefficients. The concept of SSDM's is applied to the temporal registration of thorax CR-images using pattern intensity as the registration measure. Our results show that, using 30 training pairs, a reduction of 33% is possible in the number of degrees of freedom without deterioration of the result. The same accuracy as without SSDM's is still achieved after a reduction up to 66% of the degrees of freedom.

How to fly an aircraft with control theory and splines

NASA Technical Reports Server (NTRS)

Karlsson, Anders

1994-01-01

When trying to fly an aircraft as smoothly as possible it is a good idea to use the derivatives of the pilot command instead of using the actual control. This idea was implemented with splines and control theory, in a system that tries to model an aircraft. Computer calculations in Matlab show that it is impossible to receive enough smooth control signals by this way. This is due to the fact that the splines not only try to approximate the test function, but also its derivatives. A perfect traction is received but we have to pay in very peaky control signals and accelerations.

Spectroscopic ellipsometry data inversion using constrained splines and application to characterization of ZnO with various morphologies

NASA Astrophysics Data System (ADS)

Gilliot, Mickaël; Hadjadj, Aomar; Stchakovsky, Michel

2017-11-01

An original method of ellipsometric data inversion is proposed based on the use of constrained splines. The imaginary part of the dielectric function is represented by a series of splines, constructed with particular constraints on slopes at the node boundaries to avoid well-know oscillations of natural splines. The nodes are used as fit parameters. The real part is calculated using Kramers-Kronig relations. The inversion can be performed in successive inversion steps with increasing resolution. This method is used to characterize thin zinc oxide layers obtained by a sol-gel and spin-coating process, with a particular recipe yielding very thin layers presenting nano-porosity. Such layers have particular optical properties correlated with thickness, morphological and structural properties. The use of the constrained spline method is particularly efficient for such materials which may not be easily represented by standard dielectric function models.

Edge detection based on adaptive threshold b-spline wavelet for optical sub-aperture measuring

NASA Astrophysics Data System (ADS)

Zhang, Shiqi; Hui, Mei; Liu, Ming; Zhao, Zhu; Dong, Liquan; Liu, Xiaohua; Zhao, Yuejin

2015-08-01

In the research of optical synthetic aperture imaging system, phase congruency is the main problem and it is necessary to detect sub-aperture phase. The edge of the sub-aperture system is more complex than that in the traditional optical imaging system. And with the existence of steep slope for large-aperture optical component, interference fringe may be quite dense when interference imaging. Deep phase gradient may cause a loss of phase information. Therefore, it's urgent to search for an efficient edge detection method. Wavelet analysis as a powerful tool is widely used in the fields of image processing. Based on its properties of multi-scale transform, edge region is detected with high precision in small scale. Longing with the increase of scale, noise is reduced in contrary. So it has a certain suppression effect on noise. Otherwise, adaptive threshold method which sets different thresholds in various regions can detect edge points from noise. Firstly, fringe pattern is obtained and cubic b-spline wavelet is adopted as the smoothing function. After the multi-scale wavelet decomposition of the whole image, we figure out the local modulus maxima in gradient directions. However, it also contains noise, and thus adaptive threshold method is used to select the modulus maxima. The point which greater than threshold value is boundary point. Finally, we use corrosion and expansion deal with the resulting image to get the consecutive boundary of image.

A geometric modeler based on a dual-geometry representation polyhedra and rational b-splines

NASA Technical Reports Server (NTRS)

Klosterman, A. L.

1984-01-01

For speed and data base reasons, solid geometric modeling of large complex practical systems is usually approximated by a polyhedra representation. Precise parametric surface and implicit algebraic modelers are available but it is not yet practical to model the same level of system complexity with these precise modelers. In response to this contrast the GEOMOD geometric modeling system was built so that a polyhedra abstraction of the geometry would be available for interactive modeling without losing the precise definition of the geometry. Part of the reason that polyhedra modelers are effective is that all bounded surfaces can be represented in a single canonical format (i.e., sets of planar polygons). This permits a very simple and compact data structure. Nonuniform rational B-splines are currently the best representation to describe a very large class of geometry precisely with one canonical format. The specific capabilities of the modeler are described.

Stock price forecasting for companies listed on Tehran stock exchange using multivariate adaptive regression splines model and semi-parametric splines technique

NASA Astrophysics Data System (ADS)

Rounaghi, Mohammad Mahdi; Abbaszadeh, Mohammad Reza; Arashi, Mohammad

2015-11-01

One of the most important topics of interest to investors is stock price changes. Investors whose goals are long term are sensitive to stock price and its changes and react to them. In this regard, we used multivariate adaptive regression splines (MARS) model and semi-parametric splines technique for predicting stock price in this study. The MARS model as a nonparametric method is an adaptive method for regression and it fits for problems with high dimensions and several variables. semi-parametric splines technique was used in this study. Smoothing splines is a nonparametric regression method. In this study, we used 40 variables (30 accounting variables and 10 economic variables) for predicting stock price using the MARS model and using semi-parametric splines technique. After investigating the models, we select 4 accounting variables (book value per share, predicted earnings per share, P/E ratio and risk) as influencing variables on predicting stock price using the MARS model. After fitting the semi-parametric splines technique, only 4 accounting variables (dividends, net EPS, EPS Forecast and P/E Ratio) were selected as variables effective in forecasting stock prices.

Non-lambertian reflectance modeling and shape recovery of faces using tensor splines.

PubMed

Kumar, Ritwik; Barmpoutis, Angelos; Banerjee, Arunava; Vemuri, Baba C

2011-03-01

Modeling illumination effects and pose variations of a face is of fundamental importance in the field of facial image analysis. Most of the conventional techniques that simultaneously address both of these problems work with the Lambertian assumption and thus fall short of accurately capturing the complex intensity variation that the facial images exhibit or recovering their 3D shape in the presence of specularities and cast shadows. In this paper, we present a novel Tensor-Spline-based framework for facial image analysis. We show that, using this framework, the facial apparent BRDF field can be accurately estimated while seamlessly accounting for cast shadows and specularities. Further, using local neighborhood information, the same framework can be exploited to recover the 3D shape of the face (to handle pose variation). We quantitatively validate the accuracy of the Tensor Spline model using a more general model based on the mixture of single-lobed spherical functions. We demonstrate the effectiveness of our technique by presenting extensive experimental results for face relighting, 3D shape recovery, and face recognition using the Extended Yale B and CMU PIE benchmark data sets.

On the "Optimal" Choice of Trial Functions for Modelling Potential Fields

NASA Astrophysics Data System (ADS)

Michel, Volker

2015-04-01

There are many trial functions (e.g. on the sphere) available which can be used for the modelling of a potential field. Among them are orthogonal polynomials such as spherical harmonics and radial basis functions such as spline or wavelet basis functions. Their pros and cons have been widely discussed in the last decades. We present an algorithm, the Regularized Functional Matching Pursuit (RFMP), which is able to choose trial functions of different kinds in order to combine them to a stable approximation of a potential field. One main advantage of the RFMP is that the constructed approximation inherits the advantages of the different basis systems. By including spherical harmonics, coarse global structures can be represented in a sparse way. However, the additional use of spline basis functions allows a stable handling of scattered data grids. Furthermore, the inclusion of wavelets and scaling functions yields a multiscale analysis of the potential. In addition, ill-posed inverse problems (like a downward continuation or the inverse gravimetric problem) can be regularized with the algorithm. We show some numerical examples to demonstrate the possibilities which the RFMP provides.

Joint surface modeling with thin-plate splines.

PubMed

Boyd, S K; Ronsky, J L; Lichti, D D; Salkauskas, K; Chapman, M A; Salkauskas, D

1999-10-01

Mathematical joint surface models based on experimentally determined data points can be used to investigate joint characteristics such as curvature, congruency, cartilage thickness, joint contact areas, as well as to provide geometric information well suited for finite element analysis. Commonly, surface modeling methods are based on B-splines, which involve tensor products. These methods have had success; however, they are limited due to the complex organizational aspect of working with surface patches, and modeling unordered, scattered experimental data points. An alternative method for mathematical joint surface modeling is presented based on the thin-plate spline (TPS). It has the advantage that it does not involve surface patches, and can model scattered data points without experimental data preparation. An analytical surface was developed and modeled with the TPS to quantify its interpolating and smoothing characteristics. Some limitations of the TPS include discontinuity of curvature at exactly the experimental surface data points, and numerical problems dealing with data sets in excess of 2000 points. However, suggestions for overcoming these limitations are presented. Testing the TPS with real experimental data, the patellofemoral joint of a cat was measured with multistation digital photogrammetry and modeled using the TPS to determine cartilage thicknesses and surface curvature. The cartilage thickness distribution ranged between 100 to 550 microns on the patella, and 100 to 300 microns on the femur. It was found that the TPS was an effective tool for modeling joint surfaces because no preparation of the experimental data points was necessary, and the resulting unique function representing the entire surface does not involve surface patches. A detailed algorithm is presented for implementation of the TPS.

Interior tomography from differential phase contrast data via Hilbert transform based on spline functions

NASA Astrophysics Data System (ADS)

Yang, Qingsong; Cong, Wenxiang; Wang, Ge

2016-10-01

X-ray phase contrast imaging is an important mode due to its sensitivity to subtle features of soft biological tissues. Grating-based differential phase contrast (DPC) imaging is one of the most promising phase imaging techniques because it works with a normal x-ray tube of a large focal spot at a high flux rate. However, a main obstacle before this paradigm shift is the fabrication of large-area gratings of a small period and a high aspect ratio. Imaging large objects with a size-limited grating results in data truncation which is a new type of the interior problem. While the interior problem was solved for conventional x-ray CT through analytic extension, compressed sensing and iterative reconstruction, the difficulty for interior reconstruction from DPC data lies in that the implementation of the system matrix requires the differential operation on the detector array, which is often inaccurate and unstable in the case of noisy data. Here, we propose an iterative method based on spline functions. The differential data are first back-projected to the image space. Then, a system matrix is calculated whose components are the Hilbert transforms of the spline bases. The system matrix takes the whole image as an input and outputs the back-projected interior data. Prior information normally assumed for compressed sensing is enforced to iteratively solve this inverse problem. Our results demonstrate that the proposed algorithm can successfully reconstruct an interior region of interest (ROI) from the differential phase data through the ROI.

Near real-time estimation of ionosphere vertical total electron content from GNSS satellites using B-splines in a Kalman filter

NASA Astrophysics Data System (ADS)

Erdogan, Eren; Schmidt, Michael; Seitz, Florian; Durmaz, Murat

2017-02-01

Although the number of terrestrial global navigation satellite system (GNSS) receivers supported by the International GNSS Service (IGS) is rapidly growing, the worldwide rather inhomogeneously distributed observation sites do not allow the generation of high-resolution global ionosphere products. Conversely, with the regionally enormous increase in highly precise GNSS data, the demands on (near) real-time ionosphere products, necessary in many applications such as navigation, are growing very fast. Consequently, many analysis centers accepted the responsibility of generating such products. In this regard, the primary objective of our work is to develop a near real-time processing framework for the estimation of the vertical total electron content (VTEC) of the ionosphere using proper models that are capable of a global representation adapted to the real data distribution. The global VTEC representation developed in this work is based on a series expansion in terms of compactly supported B-spline functions, which allow for an appropriate handling of the heterogeneous data distribution, including data gaps. The corresponding series coefficients and additional parameters such as differential code biases of the GNSS satellites and receivers constitute the set of unknown parameters. The Kalman filter (KF), as a popular recursive estimator, allows processing of the data immediately after acquisition and paves the way of sequential (near) real-time estimation of the unknown parameters. To exploit the advantages of the chosen data representation and the estimation procedure, the B-spline model is incorporated into the KF under the consideration of necessary constraints. Based on a preprocessing strategy, the developed approach utilizes hourly batches of GPS and GLONASS observations provided by the IGS data centers with a latency of 1 h in its current realization. Two methods for validation of the results are performed, namely the self consistency analysis and a comparison

Motion artifact detection and correction in functional near-infrared spectroscopy: a new hybrid method based on spline interpolation method and Savitzky-Golay filtering.

PubMed

Jahani, Sahar; Setarehdan, Seyed K; Boas, David A; Yücel, Meryem A

2018-01-01

Motion artifact contamination in near-infrared spectroscopy (NIRS) data has become an important challenge in realizing the full potential of NIRS for real-life applications. Various motion correction algorithms have been used to alleviate the effect of motion artifacts on the estimation of the hemodynamic response function. While smoothing methods, such as wavelet filtering, are excellent in removing motion-induced sharp spikes, the baseline shifts in the signal remain after this type of filtering. Methods, such as spline interpolation, on the other hand, can properly correct baseline shifts; however, they leave residual high-frequency spikes. We propose a hybrid method that takes advantage of different correction algorithms. This method first identifies the baseline shifts and corrects them using a spline interpolation method or targeted principal component analysis. The remaining spikes, on the other hand, are corrected by smoothing methods: Savitzky-Golay (SG) filtering or robust locally weighted regression and smoothing. We have compared our new approach with the existing correction algorithms in terms of hemodynamic response function estimation using the following metrics: mean-squared error, peak-to-peak error ([Formula: see text]), Pearson's correlation ([Formula: see text]), and the area under the receiver operator characteristic curve. We found that spline-SG hybrid method provides reasonable improvements in all these metrics with a relatively short computational time. The dataset and the code used in this study are made available online for the use of all interested researchers.

Trajectory control of an articulated robot with a parallel drive arm based on splines under tension

NASA Astrophysics Data System (ADS)

Yi, Seung-Jong

Today's industrial robots controlled by mini/micro computers are basically simple positioning devices. The positioning accuracy depends on the mathematical description of the robot configuration to place the end-effector at the desired position and orientation within the workspace and on following the specified path which requires the trajectory planner. In addition, the consideration of joint velocity, acceleration, and jerk trajectories are essential for trajectory planning of industrial robots to obtain smooth operation. The newly designed 6 DOF articulated robot with a parallel drive arm mechanism which permits the joint actuators to be placed in the same horizontal line to reduce the arm inertia and to increase load capacity and stiffness is selected. First, the forward kinematic and inverse kinematic problems are examined. The forward kinematic equations are successfully derived based on Denavit-Hartenberg notation with independent joint angle constraints. The inverse kinematic problems are solved using the arm-wrist partitioned approach with independent joint angle constraints. Three types of curve fitting methods used in trajectory planning, i.e., certain degree polynomial functions, cubic spline functions, and cubic spline functions under tension, are compared to select the best possible method to satisfy both smooth joint trajectories and positioning accuracy for a robot trajectory planner. Cubic spline functions under tension is the method selected for the new trajectory planner. This method is implemented for a 6 DOF articulated robot with a parallel drive arm mechanism to improve the smoothness of the joint trajectories and the positioning accuracy of the manipulator. Also, this approach is compared with existing trajectory planners, 4-3-4 polynomials and cubic spline functions, via circular arc motion simulations. The new trajectory planner using cubic spline functions under tension is implemented into the microprocessor based robot controller and

12 CFR 261b.1 - Basis and scope.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 12 Banks and Banking 3 2010-01-01 2010-01-01 false Basis and scope. 261b.1 Section 261b.1 Banks... REGARDING PUBLIC OBSERVATION OF MEETINGS § 261b.1 Basis and scope. This part is issued by the Board of... public is entitled to the fullest practicable information regarding the decision making processes of the...

Clustered mixed nonhomogeneous Poisson process spline models for the analysis of recurrent event panel data.

PubMed

Nielsen, J D; Dean, C B

2008-09-01

A flexible semiparametric model for analyzing longitudinal panel count data arising from mixtures is presented. Panel count data refers here to count data on recurrent events collected as the number of events that have occurred within specific follow-up periods. The model assumes that the counts for each subject are generated by mixtures of nonhomogeneous Poisson processes with smooth intensity functions modeled with penalized splines. Time-dependent covariate effects are also incorporated into the process intensity using splines. Discrete mixtures of these nonhomogeneous Poisson process spline models extract functional information from underlying clusters representing hidden subpopulations. The motivating application is an experiment to test the effectiveness of pheromones in disrupting the mating pattern of the cherry bark tortrix moth. Mature moths arise from hidden, but distinct, subpopulations and monitoring the subpopulation responses was of interest. Within-cluster random effects are used to account for correlation structures and heterogeneity common to this type of data. An estimating equation approach to inference requiring only low moment assumptions is developed and the finite sample properties of the proposed estimating functions are investigated empirically by simulation.

Thin-plate spline analysis of mandibular shape changes induced by functional appliances in Class II malocclusion : A long-term evaluation.

PubMed

Franchi, Lorenzo; Pavoni, Chiara; Faltin, Kurt; Bigliazzi, Renato; Gazzani, Francesca; Cozza, Paola

2016-09-01

The purpose of this work was to evaluate the long-term morphological mandibular changes induced by functional treatment of Class II malocclusion with mandibular retrusion. Forty patients (20 females, 20 males) with Class II malocclusion consecutively treated with either a Bionator or an Activator followed by fixed appliances were compared with a control group of 40 subjects (19 females, 21 males) with untreated Class II malocclusion. Lateral cephalograms were available at the start of treatment (T1, mean age 9.9 years), at the end of treatment with functional appliances (T2, mean age 12.2 years), and for long-term follow-up (T3, mean age 18.3 years). Mandibular shape changes were analyzed on lateral cephalograms of the subjects in both groups via thin-plate spline (TPS) analysis. Shape differences were statistically analyzed by conducting permutation tests on Goodall F statistics. In the long term, both the treated and control groups exhibited significant longitudinal mandibular shape changes characterized by upward and forward dislocation of point Co associated with a vertical extension in the gonial region and backward dislocation of point B. Functional appliances induced mandible's significant posterior morphogenetic rotation over the short term. The treated and control groups demonstrated similar mandibular shape over the long term.

Potential Representation - Global vs. Local Trial Functions

NASA Astrophysics Data System (ADS)

Michel, Volker

2014-05-01

Many systems of trial functions are available for representing potential fields on the sphere or parts of the sphere. We distinguish global trial functions (such as spherical harmonics) from localized trial functions (such as spline basis functions, scaling functions, wavelets, and Slepian functions). All these systems have their own pros and cons. We discuss the advantages and disadvantages of several selected systems of trial functions and propose criteria for their applicability. Moreover, we present an algorithm which is able to combine different types of trial functions. This yields a sparser solution which combines the features of the different basis systems which are used.

Contour interpolated radial basis functions with spline boundary correction for fast 3D reconstruction of the human articular cartilage from MR images

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

Javaid, Zarrar; Unsworth, Charles P., E-mail: c.unsworth@auckland.ac.nz; Boocock, Mark G.

2016-03-15

Purpose: The aim of this work is to demonstrate a new image processing technique that can provide a “near real-time” 3D reconstruction of the articular cartilage of the human knee from MR images which is user friendly. This would serve as a point-of-care 3D visualization tool which would benefit a consultant radiologist in the visualization of the human articular cartilage. Methods: The authors introduce a novel fusion of an adaptation of the contour method known as “contour interpolation (CI)” with radial basis functions (RBFs) which they describe as “CI-RBFs.” The authors also present a spline boundary correction which further enhancesmore » volume estimation of the method. A subject cohort consisting of 17 right nonpathological knees (ten female and seven male) is assessed to validate the quality of the proposed method. The authors demonstrate how the CI-RBF method dramatically reduces the number of data points required for fitting an implicit surface to the entire cartilage, thus, significantly improving the speed of reconstruction over the comparable RBF reconstruction method of Carr. The authors compare the CI-RBF method volume estimation to a typical commercial package (3D DOCTOR), Carr’s RBF method, and a benchmark manual method for the reconstruction of the femoral, tibial, and patellar cartilages. Results: The authors demonstrate how the CI-RBF method significantly reduces the number of data points (p-value < 0.0001) required for fitting an implicit surface to the cartilage, by 48%, 31%, and 44% for the patellar, tibial, and femoral cartilages, respectively. Thus, significantly improving the speed of reconstruction (p-value < 0.0001) by 39%, 40%, and 44% for the patellar, tibial, and femoral cartilages over the comparable RBF model of Carr providing a near real-time reconstruction of 6.49, 8.88, and 9.43 min for the patellar, tibial, and femoral cartilages, respectively. In addition, it is demonstrated how the CI-RBF method matches the

Comparison between splines and fractional polynomials for multivariable model building with continuous covariates: a simulation study with continuous response.

PubMed

Binder, Harald; Sauerbrei, Willi; Royston, Patrick

2013-06-15

In observational studies, many continuous or categorical covariates may be related to an outcome. Various spline-based procedures or the multivariable fractional polynomial (MFP) procedure can be used to identify important variables and functional forms for continuous covariates. This is the main aim of an explanatory model, as opposed to a model only for prediction. The type of analysis often guides the complexity of the final model. Spline-based procedures and MFP have tuning parameters for choosing the required complexity. To compare model selection approaches, we perform a simulation study in the linear regression context based on a data structure intended to reflect realistic biomedical data. We vary the sample size, variance explained and complexity parameters for model selection. We consider 15 variables. A sample size of 200 (1000) and R(2)  = 0.2 (0.8) is the scenario with the smallest (largest) amount of information. For assessing performance, we consider prediction error, correct and incorrect inclusion of covariates, qualitative measures for judging selected functional forms and further novel criteria. From limited information, a suitable explanatory model cannot be obtained. Prediction performance from all types of models is similar. With a medium amount of information, MFP performs better than splines on several criteria. MFP better recovers simpler functions, whereas splines better recover more complex functions. For a large amount of information and no local structure, MFP and the spline procedures often select similar explanatory models. Copyright © 2012 John Wiley & Sons, Ltd.

Spline curve matching with sparse knot sets

Treesearch

Sang-Mook Lee; A. Lynn Abbott; Neil A. Clark; Philip A. Araman

2004-01-01

This paper presents a new curve matching method for deformable shapes using two-dimensional splines. In contrast to the residual error criterion, which is based on relative locations of corresponding knot points such that is reliable primarily for dense point sets, we use deformation energy of thin-plate-spline mapping between sparse knot points and normalized local...

Aerodynamic influence coefficient method using singularity splines

NASA Technical Reports Server (NTRS)

Mercer, J. E.; Weber, J. A.; Lesferd, E. P.

1974-01-01

A numerical lifting surface formulation, including computed results for planar wing cases is presented. This formulation, referred to as the vortex spline scheme, combines the adaptability to complex shapes offered by paneling schemes with the smoothness and accuracy of loading function methods. The formulation employes a continuous distribution of singularity strength over a set of panels on a paneled wing. The basic distributions are independent, and each satisfied all the continuity conditions required of the final solution. These distributions are overlapped both spanwise and chordwise. Boundary conditions are satisfied in a least square error sense over the surface using a finite summing technique to approximate the integral. The current formulation uses the elementary horseshoe vortex as the basic singularity and is therefore restricted to linearized potential flow. As part of the study, a non planar development was considered, but the numerical evaluation of the lifting surface concept was restricted to planar configurations. Also, a second order sideslip analysis based on an asymptotic expansion was investigated using the singularity spline formulation.

From Data to Assessments and Decisions: Epi-Spline Technology

DTIC Science & Technology

2014-05-08

From Data to Assessments and Decisions: Epi-Spline Technology∗ Johannes O. Royset Roger J-B Wets Department of Operations Research Department of...2014 ∗This material is based upon work supported in part by the U. S. Army Research Laboratory and the U. S. Army Research Office under grant numbers...ADDRESS(ES) Naval Postgraduate School,Department of Operations Research ,Monterey,CA,93943 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING

Noise correction on LANDSAT images using a spline-like algorithm

NASA Technical Reports Server (NTRS)

Vijaykumar, N. L. (Principal Investigator); Dias, L. A. V.

1985-01-01

Many applications using LANDSAT images face a dilemma: the user needs a certain scene (for example, a flooded region), but that particular image may present interference or noise in form of horizontal stripes. During automatic analysis, this interference or noise may cause false readings of the region of interest. In order to minimize this interference or noise, many solutions are used, for instane, that of using the average (simple or weighted) values of the neighboring vertical points. In the case of high interference (more than one adjacent line lost) the method of averages may not suit the desired purpose. The solution proposed is to use a spline-like algorithm (weighted splines). This type of interpolation is simple to be computer implemented, fast, uses only four points in each interval, and eliminates the necessity of solving a linear equation system. In the normal mode of operation, the first and second derivatives of the solution function are continuous and determined by data points, as in cubic splines. It is possible, however, to impose the values of the first derivatives, in order to account for shapr boundaries, without increasing the computational effort. Some examples using the proposed method are also shown.

Generalized neurofuzzy network modeling algorithms using Bézier-Bernstein polynomial functions and additive decomposition.

PubMed

Hong, X; Harris, C J

2000-01-01

This paper introduces a new neurofuzzy model construction algorithm for nonlinear dynamic systems based upon basis functions that are Bézier-Bernstein polynomial functions. This paper is generalized in that it copes with n-dimensional inputs by utilising an additive decomposition construction to overcome the curse of dimensionality associated with high n. This new construction algorithm also introduces univariate Bézier-Bernstein polynomial functions for the completeness of the generalized procedure. Like the B-spline expansion based neurofuzzy systems, Bézier-Bernstein polynomial function based neurofuzzy networks hold desirable properties such as nonnegativity of the basis functions, unity of support, and interpretability of basis function as fuzzy membership functions, moreover with the additional advantages of structural parsimony and Delaunay input space partition, essentially overcoming the curse of dimensionality associated with conventional fuzzy and RBF networks. This new modeling network is based on additive decomposition approach together with two separate basis function formation approaches for both univariate and bivariate Bézier-Bernstein polynomial functions used in model construction. The overall network weights are then learnt using conventional least squares methods. Numerical examples are included to demonstrate the effectiveness of this new data based modeling approach.

[Non-rigid medical image registration based on mutual information and thin-plate spline].

PubMed

Cao, Guo-gang; Luo, Li-min

2009-01-01

To get precise and complete details, the contrast in different images is needed in medical diagnosis and computer assisted treatment. The image registration is the basis of contrast, but the regular rigid registration does not satisfy the clinic requirements. A non-rigid medical image registration method based on mutual information and thin-plate spline was present. Firstly, registering two images globally based on mutual information; secondly, dividing reference image and global-registered image into blocks and registering them; then getting the thin-plate spline transformation according to the shift of blocks' center; finally, applying the transformation to the global-registered image. The results show that the method is more precise than the global rigid registration based on mutual information and it reduces the complexity of getting control points and satisfy the clinic requirements better by getting control points of the thin-plate transformation automatically.

Weighted cubic and biharmonic splines

NASA Astrophysics Data System (ADS)

Kvasov, Boris; Kim, Tae-Wan

2017-01-01

In this paper we discuss the design of algorithms for interpolating discrete data by using weighted cubic and biharmonic splines in such a way that the monotonicity and convexity of the data are preserved. We formulate the problem as a differential multipoint boundary value problem and consider its finite-difference approximation. Two algorithms for automatic selection of shape control parameters (weights) are presented. For weighted biharmonic splines the resulting system of linear equations can be efficiently solved by combining Gaussian elimination with successive over-relaxation method or finite-difference schemes in fractional steps. We consider basic computational aspects and illustrate main features of this original approach.

Quasi interpolation with Voronoi splines.

PubMed

Mirzargar, Mahsa; Entezari, Alireza

2011-12-01

We present a quasi interpolation framework that attains the optimal approximation-order of Voronoi splines for reconstruction of volumetric data sampled on general lattices. The quasi interpolation framework of Voronoi splines provides an unbiased reconstruction method across various lattices. Therefore this framework allows us to analyze and contrast the sampling-theoretic performance of general lattices, using signal reconstruction, in an unbiased manner. Our quasi interpolation methodology is implemented as an efficient FIR filter that can be applied online or as a preprocessing step. We present visual and numerical experiments that demonstrate the improved accuracy of reconstruction across lattices, using the quasi interpolation framework. © 2011 IEEE

Meshfree truncated hierarchical refinement for isogeometric analysis

NASA Astrophysics Data System (ADS)

Atri, H. R.; Shojaee, S.

2018-05-01

In this paper truncated hierarchical B-spline (THB-spline) is coupled with reproducing kernel particle method (RKPM) to blend advantages of the isogeometric analysis and meshfree methods. Since under certain conditions, the isogeometric B-spline and NURBS basis functions are exactly represented by reproducing kernel meshfree shape functions, recursive process of producing isogeometric bases can be omitted. More importantly, a seamless link between meshfree methods and isogeometric analysis can be easily defined which provide an authentic meshfree approach to refine the model locally in isogeometric analysis. This procedure can be accomplished using truncated hierarchical B-splines to construct new bases and adaptively refine them. It is also shown that the THB-RKPM method can provide efficient approximation schemes for numerical simulations and represent a promising performance in adaptive refinement of partial differential equations via isogeometric analysis. The proposed approach for adaptive locally refinement is presented in detail and its effectiveness is investigated through well-known benchmark examples.

Automatic human body modeling for vision-based motion capture system using B-spline parameterization of the silhouette

NASA Astrophysics Data System (ADS)

Jaume-i-Capó, Antoni; Varona, Javier; González-Hidalgo, Manuel; Mas, Ramon; Perales, Francisco J.

2012-02-01

Human motion capture has a wide variety of applications, and in vision-based motion capture systems a major issue is the human body model and its initialization. We present a computer vision algorithm for building a human body model skeleton in an automatic way. The algorithm is based on the analysis of the human shape. We decompose the body into its main parts by computing the curvature of a B-spline parameterization of the human contour. This algorithm has been applied in a context where the user is standing in front of a camera stereo pair. The process is completed after the user assumes a predefined initial posture so as to identify the main joints and construct the human model. Using this model, the initialization problem of a vision-based markerless motion capture system of the human body is solved.

Nonlinear bias compensation of ZiYuan-3 satellite imagery with cubic splines

NASA Astrophysics Data System (ADS)

Cao, Jinshan; Fu, Jianhong; Yuan, Xiuxiao; Gong, Jianya

2017-11-01

Like many high-resolution satellites such as the ALOS, MOMS-2P, QuickBird, and ZiYuan1-02C satellites, the ZiYuan-3 satellite suffers from different levels of attitude oscillations. As a result of such oscillations, the rational polynomial coefficients (RPCs) obtained using a terrain-independent scenario often have nonlinear biases. In the sensor orientation of ZiYuan-3 imagery based on a rational function model (RFM), these nonlinear biases cannot be effectively compensated by an affine transformation. The sensor orientation accuracy is thereby worse than expected. In order to eliminate the influence of attitude oscillations on the RFM-based sensor orientation, a feasible nonlinear bias compensation approach for ZiYuan-3 imagery with cubic splines is proposed. In this approach, no actual ground control points (GCPs) are required to determine the cubic splines. First, the RPCs are calculated using a three-dimensional virtual control grid generated based on a physical sensor model. Second, one cubic spline is used to model the residual errors of the virtual control points in the row direction and another cubic spline is used to model the residual errors in the column direction. Then, the estimated cubic splines are used to compensate the nonlinear biases in the RPCs. Finally, the affine transformation parameters are used to compensate the residual biases in the RPCs. Three ZiYuan-3 images were tested. The experimental results showed that before the nonlinear bias compensation, the residual errors of the independent check points were nonlinearly biased. Even if the number of GCPs used to determine the affine transformation parameters was increased from 4 to 16, these nonlinear biases could not be effectively compensated. After the nonlinear bias compensation with the estimated cubic splines, the influence of the attitude oscillations could be eliminated. The RFM-based sensor orientation accuracies of the three ZiYuan-3 images reached 0.981 pixels, 0.890 pixels, and 1

GEE-Smoothing Spline in Semiparametric Model with Correlated Nominal Data

NASA Astrophysics Data System (ADS)

Ibrahim, Noor Akma; Suliadi

2010-11-01

In this paper we propose GEE-Smoothing spline in the estimation of semiparametric models with correlated nominal data. The method can be seen as an extension of parametric generalized estimating equation to semiparametric models. The nonparametric component is estimated using smoothing spline specifically the natural cubic spline. We use profile algorithm in the estimation of both parametric and nonparametric components. The properties of the estimators are evaluated using simulation studies.

Spline-Screw Payload-Fastening System

NASA Technical Reports Server (NTRS)

Vranish, John M.

1994-01-01

Payload handed off securely between robot and vehicle or structure. Spline-screw payload-fastening system includes mating female and male connector mechanisms. Clockwise (or counter-clockwise) rotation of splined male driver on robotic end effector causes connection between robot and payload to tighten (or loosen) and simultaneously causes connection between payload and structure to loosen (or tighten). Includes mechanisms like those described in "Tool-Changing Mechanism for Robot" (GSC-13435) and "Self-Aligning Mechanical and Electrical Coupling" (GSC-13430). Designed for use in outer space, also useful on Earth in applications needed for secure handling and secure mounting of equipment modules during storage, transport, and/or operation. Particularly useful in machine or robotic applications.

Spline-based Rayleigh-Ritz methods for the approximation of the natural modes of vibration for flexible beams with tip bodies

NASA Technical Reports Server (NTRS)

Rosen, I. G.

1985-01-01

Rayleigh-Ritz methods for the approximation of the natural modes for a class of vibration problems involving flexible beams with tip bodies using subspaces of piecewise polynomial spline functions are developed. An abstract operator theoretic formulation of the eigenvalue problem is derived and spectral properties investigated. The existing theory for spline-based Rayleigh-Ritz methods applied to elliptic differential operators and the approximation properties of interpolatory splines are useed to argue convergence and establish rates of convergence. An example and numerical results are discussed.

Influence of scanning parameters on the estimation accuracy of control points of B-spline surfaces

NASA Astrophysics Data System (ADS)

Aichinger, Julia; Schwieger, Volker

2018-04-01

This contribution deals with the influence of scanning parameters like scanning distance, incidence angle, surface quality and sampling width on the average estimated standard deviations of the position of control points from B-spline surfaces which are used to model surfaces from terrestrial laser scanning data. The influence of the scanning parameters is analyzed by the Monte Carlo based variance analysis. The samples were generated for non-correlated and correlated data, leading to the samples generated by Latin hypercube and replicated Latin hypercube sampling algorithms. Finally, the investigations show that the most influential scanning parameter is the distance from the laser scanner to the object. The angle of incidence shows a significant effect for distances of 50 m and longer, while the surface quality contributes only negligible effects. The sampling width has no influence. Optimal scanning parameters can be found in the smallest possible object distance at an angle of incidence close to 0° in the highest surface quality. The consideration of correlations improves the estimation accuracy and underlines the importance of complete stochastic models for TLS measurements.

Density functional theory calculations of the lowest energy quintet and triplet states of model hemes: role of functional, basis set, and zero-point energy corrections.

PubMed

Khvostichenko, Daria; Choi, Andrew; Boulatov, Roman

2008-04-24

We investigated the effect of several computational variables, including the choice of the basis set, application of symmetry constraints, and zero-point energy (ZPE) corrections, on the structural parameters and predicted ground electronic state of model 5-coordinate hemes (iron(II) porphines axially coordinated by a single imidazole or 2-methylimidazole). We studied the performance of B3LYP and B3PW91 with eight Pople-style basis sets (up to 6-311+G*) and B97-1, OLYP, and TPSS functionals with 6-31G and 6-31G* basis sets. Only hybrid functionals B3LYP, B3PW91, and B97-1 reproduced the quintet ground state of the model hemes. With a given functional, the choice of the basis set caused up to 2.7 kcal/mol variation of the quintet-triplet electronic energy gap (DeltaEel), in several cases, resulting in the inversion of the sign of DeltaEel. Single-point energy calculations with triple-zeta basis sets of the Pople (up to 6-311G++(2d,2p)), Ahlrichs (TZVP and TZVPP), and Dunning (cc-pVTZ) families showed the same trend. The zero-point energy of the quintet state was approximately 1 kcal/mol lower than that of the triplet, and accounting for ZPE corrections was crucial for establishing the ground state if the electronic energy of the triplet state was approximately 1 kcal/mol less than that of the quintet. Within a given model chemistry, effects of symmetry constraints and of a "tense" structure of the iron porphine fragment coordinated to 2-methylimidazole on DeltaEel were limited to 0.3 kcal/mol. For both model hemes the best agreement with crystallographic structural data was achieved with small 6-31G and 6-31G* basis sets. Deviation of the computed frequency of the Fe-Im stretching mode from the experimental value with the basis set decreased in the order: nonaugmented basis sets, basis sets with polarization functions, and basis sets with polarization and diffuse functions. Contraction of Pople-style basis sets (double-zeta or triple-zeta) affected the results

Modeling of digital mammograms using bicubic spline functions and additive noise

NASA Astrophysics Data System (ADS)

Graffigne, Christine; Maintournam, Aboubakar; Strauss, Anne

1998-09-01

The purpose of our work is the microcalcifications detection on digital mammograms. In order to do so, we model the grey levels of digital mammograms by the sum of a surface trend (bicubic spline function) and an additive noise or texture. We also introduce a robust estimation method in order to overcome the bias introduced by the microcalcifications. After the estimation we consider the subtraction image values as noise. If the noise is not correlated, we adjust its distribution probability by the Pearson's system of densities. It allows us to threshold accurately the images of subtraction and therefore to detect the microcalcifications. If the noise is correlated, a unilateral autoregressive process is used and its coefficients are again estimated by the least squares method. We then consider non overlapping windows on the residues image. In each window the texture residue is computed and compared with an a priori threshold. This provides correct localization of the microcalcifications clusters. However this technique is definitely more time consuming that then automatic threshold assuming uncorrelated noise and does not lead to significantly better results. As a conclusion, even if the assumption of uncorrelated noise is not correct, the automatic thresholding based on the Pearson's system performs quite well on most of our images.

Sequential deconvolution from wave-front sensing using bivariate simplex splines

NASA Astrophysics Data System (ADS)

Guo, Shiping; Zhang, Rongzhi; Li, Jisheng; Zou, Jianhua; Xu, Rong; Liu, Changhai

2015-05-01

Deconvolution from wave-front sensing (DWFS) is an imaging compensation technique for turbulence degraded images based on simultaneous recording of short exposure images and wave-front sensor data. This paper employs the multivariate splines method for the sequential DWFS: a bivariate simplex splines based average slopes measurement model is built firstly for Shack-Hartmann wave-front sensor; next, a well-conditioned least squares estimator for the spline coefficients is constructed using multiple Shack-Hartmann measurements; then, the distorted wave-front is uniquely determined by the estimated spline coefficients; the object image is finally obtained by non-blind deconvolution processing. Simulated experiments in different turbulence strength show that our method performs superior image restoration results and noise rejection capability especially when extracting the multidirectional phase derivatives.

Cubic spline anchored grid pattern algorithm for high-resolution detection of subsurface cavities by the IR-CAT method

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

Kassab, A.J.; Pollard, J.E.

An algorithm is presented for the high-resolution detection of irregular-shaped subsurface cavities within irregular-shaped bodies by the IR-CAT method. The theoretical basis of the algorithm is rooted in the solution of an inverse geometric steady-state heat conduction problem. A Cauchy boundary condition is prescribed at the exposed surface, and the inverse geometric heat conduction problem is formulated by specifying the thermal condition at the inner cavities walls, whose unknown geometries are to be detected. The location of the inner cavities is initially estimated, and the domain boundaries are discretized. Linear boundary elements are used in conjunction with cubic splines formore » high resolution of the cavity walls. An anchored grid pattern (AGP) is established to constrain the cubic spline knots that control the inner cavity geometry to evolve along the AGP at each iterative step. A residual is defined measuring the difference between imposed and computed boundary conditions. A Newton-Raphson method with a Broyden update is used to automate the detection of inner cavity walls. During the iterative procedure, the movement of the inner cavity walls is restricted to physically realistic intermediate solutions. Numerical simulation demonstrates the superior resolution of the cubic spline AGP algorithm over the linear spline-based AGP in the detection of an irregular-shaped cavity. Numerical simulation is also used to test the sensitivity of the linear and cubic spline AGP algorithms by simulating bias and random error in measured surface temperature. The proposed AGP algorithm is shown to satisfactorily detect cavities with these simulated data.« less

Stable Local Volatility Calibration Using Kernel Splines

NASA Astrophysics Data System (ADS)

Coleman, Thomas F.; Li, Yuying; Wang, Cheng

2010-09-01

We propose an optimization formulation using L1 norm to ensure accuracy and stability in calibrating a local volatility function for option pricing. Using a regularization parameter, the proposed objective function balances the calibration accuracy with the model complexity. Motivated by the support vector machine learning, the unknown local volatility function is represented by a kernel function generating splines and the model complexity is controlled by minimizing the 1-norm of the kernel coefficient vector. In the context of the support vector regression for function estimation based on a finite set of observations, this corresponds to minimizing the number of support vectors for predictability. We illustrate the ability of the proposed approach to reconstruct the local volatility function in a synthetic market. In addition, based on S&P 500 market index option data, we demonstrate that the calibrated local volatility surface is simple and resembles the observed implied volatility surface in shape. Stability is illustrated by calibrating local volatility functions using market option data from different dates.

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations.

PubMed

Hardy, David J; Wolff, Matthew A; Xia, Jianlin; Schulten, Klaus; Skeel, Robert D

2016-03-21

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle-mesh Ewald method falls short.

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Hardy, David J.; Wolff, Matthew A.; Xia, Jianlin; Schulten, Klaus; Skeel, Robert D.

2016-03-01

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation method (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle-mesh Ewald method falls short.

MRI signal intensity based B-spline nonrigid registration for pre- and intraoperative imaging during prostate brachytherapy.

PubMed

Oguro, Sota; Tokuda, Junichi; Elhawary, Haytham; Haker, Steven; Kikinis, Ron; Tempany, Clare M C; Hata, Nobuhiko

2009-11-01

To apply an intensity-based nonrigid registration algorithm to MRI-guided prostate brachytherapy clinical data and to assess its accuracy. A nonrigid registration of preoperative MRI to intraoperative MRI images was carried out in 16 cases using a Basis-Spline algorithm in a retrospective manner. The registration was assessed qualitatively by experts' visual inspection and quantitatively by measuring the Dice similarity coefficient (DSC) for total gland (TG), central gland (CG), and peripheral zone (PZ), the mutual information (MI) metric, and the fiducial registration error (FRE) between corresponding anatomical landmarks for both the nonrigid and a rigid registration method. All 16 cases were successfully registered in less than 5 min. After the nonrigid registration, DSC values for TG, CG, PZ were 0.91, 0.89, 0.79, respectively, the MI metric was -0.19 +/- 0.07 and FRE presented a value of 2.3 +/- 1.8 mm. All the metrics were significantly better than in the case of rigid registration, as determined by one-sided t-tests. The intensity-based nonrigid registration method using clinical data was demonstrated to be feasible and showed statistically improved metrics when compare to only rigid registration. The method is a valuable tool to integrate pre- and intraoperative images for brachytherapy.

B97-3c: A revised low-cost variant of the B97-D density functional method

NASA Astrophysics Data System (ADS)

Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas; Grimme, Stefan

2018-02-01

A revised version of the well-established B97-D density functional approximation with general applicability for chemical properties of large systems is proposed. Like B97-D, it is based on Becke's power-series ansatz from 1997 and is explicitly parametrized by including the standard D3 semi-classical dispersion correction. The orbitals are expanded in a modified valence triple-zeta Gaussian basis set, which is available for all elements up to Rn. Remaining basis set errors are mostly absorbed in the modified B97 parametrization, while an established atom-pairwise short-range potential is applied to correct for the systematically too long bonds of main group elements which are typical for most semi-local density functionals. The new composite scheme (termed B97-3c) completes the hierarchy of "low-cost" electronic structure methods, which are all mainly free of basis set superposition error and account for most interactions in a physically sound and asymptotically correct manner. B97-3c yields excellent molecular and condensed phase geometries, similar to most hybrid functionals evaluated in a larger basis set expansion. Results on the comprehensive GMTKN55 energy database demonstrate its good performance for main group thermochemistry, kinetics, and non-covalent interactions, when compared to functionals of the same class. This also transfers to metal-organic reactions, which is a major area of applicability for semi-local functionals. B97-3c can be routinely applied to hundreds of atoms on a single processor and we suggest it as a robust computational tool, in particular, for more strongly correlated systems where our previously published "3c" schemes might be problematic.

The use of an analytic Hamiltonian matrix for solving the hydrogenic atom

NASA Astrophysics Data System (ADS)

Bhatti, Mohammad

2001-10-01

The non-relativistic Hamiltonian corresponding to the Shrodinger equation is converted into analytic Hamiltonian matrix using the kth order B-splines functions. The Galerkin method is applied to the solution of the Shrodinger equation for bound states of hydrogen-like systems. The program Mathematica is used to create analytic matrix elements and exact integration is performed over the knot-sequence of B-splines and the resulting generalized eigenvalue problem is solved on a specified numerical grid. The complete basis set and the energy spectrum is obtained for the coulomb potential for hydrogenic systems with Z less than 100 with B-splines of order eight. Another application is given to test the Thomas-Reiche-Kuhn sum rule for the hydrogenic systems.

Characterizing vaccine-associated risks using cubic smoothing splines.

PubMed

Brookhart, M Alan; Walker, Alexander M; Lu, Yun; Polakowski, Laura; Li, Jie; Paeglow, Corrie; Puenpatom, Tosmai; Izurieta, Hector; Daniel, Gregory W

2012-11-15

Estimating risks associated with the use of childhood vaccines is challenging. The authors propose a new approach for studying short-term vaccine-related risks. The method uses a cubic smoothing spline to flexibly estimate the daily risk of an event after vaccination. The predicted incidence rates from the spline regression are then compared with the expected rates under a log-linear trend that excludes the days surrounding vaccination. The 2 models are then used to estimate the excess cumulative incidence attributable to the vaccination during the 42-day period after vaccination. Confidence intervals are obtained using a model-based bootstrap procedure. The method is applied to a study of known effects (positive controls) and expected noneffects (negative controls) of the measles, mumps, and rubella and measles, mumps, rubella, and varicella vaccines among children who are 1 year of age. The splines revealed well-resolved spikes in fever, rash, and adenopathy diagnoses, with the maximum incidence occurring between 9 and 11 days after vaccination. For the negative control outcomes, the spline model yielded a predicted incidence more consistent with the modeled day-specific risks, although there was evidence of increased risk of diagnoses of congenital malformations after vaccination, possibly because of a "provider visit effect." The proposed approach may be useful for vaccine safety surveillance.

Aerodynamic influence coefficient method using singularity splines.

NASA Technical Reports Server (NTRS)

Mercer, J. E.; Weber, J. A.; Lesferd, E. P.

1973-01-01

A new numerical formulation with computed results, is presented. This formulation combines the adaptability to complex shapes offered by paneling schemes with the smoothness and accuracy of the loading function methods. The formulation employs a continuous distribution of singularity strength over a set of panels on a paneled wing. The basic distributions are independent, and each satisfies all of the continuity conditions required of the final solution. These distributions are overlapped both spanwise and chordwise (termed 'spline'). Boundary conditions are satisfied in a least square error sense over the surface using a finite summing technique to approximate the integral.

Design Evaluation of Wind Turbine Spline Couplings Using an Analytical Model: Preprint

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

Guo, Y.; Keller, J.; Wallen, R.

2015-02-01

Articulated splines are commonly used in the planetary stage of wind turbine gearboxes for transmitting the driving torque and improving load sharing. Direct measurement of spline loads and performance is extremely challenging because of limited accessibility. This paper presents an analytical model for the analysis of articulated spline coupling designs. For a given torque and shaft misalignment, this analytical model quickly yields insights into relationships between the spline design parameters and resulting loads; bending, contact, and shear stresses; and safety factors considering various heat treatment methods. Comparisons of this analytical model against previously published computational approaches are also presented.

Neural networks for function approximation in nonlinear control

NASA Technical Reports Server (NTRS)

Linse, Dennis J.; Stengel, Robert F.

1990-01-01

Two neural network architectures are compared with a classical spline interpolation technique for the approximation of functions useful in a nonlinear control system. A standard back-propagation feedforward neural network and a cerebellar model articulation controller (CMAC) neural network are presented, and their results are compared with a B-spline interpolation procedure that is updated using recursive least-squares parameter identification. Each method is able to accurately represent a one-dimensional test function. Tradeoffs between size requirements, speed of operation, and speed of learning indicate that neural networks may be practical for identification and adaptation in a nonlinear control environment.

A structural basis for antigen presentation by the MHC class Ib molecule, Qa-1b.

PubMed

Zeng, Li; Sullivan, Lucy C; Vivian, Julian P; Walpole, Nicholas G; Harpur, Christopher M; Rossjohn, Jamie; Clements, Craig S; Brooks, Andrew G

2012-01-01

The primary function of the monomorphic MHC class Ib molecule Qa-1(b) is to present peptides derived from the leader sequences of other MHC class I molecules for recognition by the CD94-NKG2 receptors expressed by NK and T cells. Whereas the mode of peptide presentation by its ortholog HLA-E, and subsequent recognition by CD94-NKG2A, is known, the molecular basis of Qa-1(b) function is unclear. We have assessed the interaction between Qa-1(b) and CD94-NKG2A and shown that they interact with an affinity of 17 μM. Furthermore, we have determined the structure of Qa-1(b) bound to the leader sequence peptide, Qdm (AMAPRTLLL), to a resolution of 1.9 Å and compared it with that of HLA-E. The crystal structure provided a basis for understanding the restricted peptide repertoire of Qa-1(b). Whereas the Qa-1(b-AMAPRTLLL) complex was similar to that of HLA-E, significant sequence and structural differences were observed between the respective Ag-binding clefts. However, the conformation of the Qdm peptide bound by Qa-1(b) was very similar to that of peptide bound to HLA-E. Although a number of conserved innate receptors can recognize heterologous ligands from other species, the structural differences between Qa-1(b) and HLA-E manifested in CD94-NKG2A ligand recognition being species specific despite similarities in peptide sequence and conformation. Collectively, our data illustrate the structural homology between Qa-1(b) and HLA-E and provide a structural basis for understanding peptide repertoire selection and the specificity of the interaction of Qa-1(b) with CD94-NKG2 receptors.

Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations

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

Hardy, David J., E-mail: dhardy@illinois.edu; Schulten, Klaus; Wolff, Matthew A.

2016-03-21

The multilevel summation method for calculating electrostatic interactions in molecular dynamics simulations constructs an approximation to a pairwise interaction kernel and its gradient, which can be evaluated at a cost that scales linearly with the number of atoms. The method smoothly splits the kernel into a sum of partial kernels of increasing range and decreasing variability with the longer-range parts interpolated from grids of increasing coarseness. Multilevel summation is especially appropriate in the context of dynamics and minimization, because it can produce continuous gradients. This article explores the use of B-splines to increase the accuracy of the multilevel summation methodmore » (for nonperiodic boundaries) without incurring additional computation other than a preprocessing step (whose cost also scales linearly). To obtain accurate results efficiently involves technical difficulties, which are overcome by a novel preprocessing algorithm. Numerical experiments demonstrate that the resulting method offers substantial improvements in accuracy and that its performance is competitive with an implementation of the fast multipole method in general and markedly better for Hamiltonian formulations of molecular dynamics. The improvement is great enough to establish multilevel summation as a serious contender for calculating pairwise interactions in molecular dynamics simulations. In particular, the method appears to be uniquely capable for molecular dynamics in two situations, nonperiodic boundary conditions and massively parallel computation, where the fast Fourier transform employed in the particle–mesh Ewald method falls short.« less

Weighted spline based integration for reconstruction of freeform wavefront.

PubMed

Pant, Kamal K; Burada, Dali R; Bichra, Mohamed; Ghosh, Amitava; Khan, Gufran S; Sinzinger, Stefan; Shakher, Chandra

2018-02-10

In the present work, a spline-based integration technique for the reconstruction of a freeform wavefront from the slope data has been implemented. The slope data of a freeform surface contain noise due to their machining process and that introduces reconstruction error. We have proposed a weighted cubic spline based least square integration method (WCSLI) for the faithful reconstruction of a wavefront from noisy slope data. In the proposed method, the measured slope data are fitted into a piecewise polynomial. The fitted coefficients are determined by using a smoothing cubic spline fitting method. The smoothing parameter locally assigns relative weight to the fitted slope data. The fitted slope data are then integrated using the standard least squares technique to reconstruct the freeform wavefront. Simulation studies show the improved result using the proposed technique as compared to the existing cubic spline-based integration (CSLI) and the Southwell methods. The proposed reconstruction method has been experimentally implemented to a subaperture stitching-based measurement of a freeform wavefront using a scanning Shack-Hartmann sensor. The boundary artifacts are minimal in WCSLI which improves the subaperture stitching accuracy and demonstrates an improved Shack-Hartmann sensor for freeform metrology application.

Validating the Kinematic Wave Approach for Rapid Soil Erosion Assessment and Improved BMP Site Selection to Enhance Training Land Sustainability

DTIC Science & Technology

2014-02-01

installation based on a Euclidean distance allocation and assigned that installation’s threshold values. The second approach used a thin - plate spline ...installation critical nLS+ thresholds involved spatial interpolation. A thin - plate spline radial basis functions (RBF) was selected as the...the interpolation of installation results using a thin - plate spline radial basis function technique. 6.5 OBJECTIVE #5: DEVELOP AND

Spline screw multiple rotations mechanism

NASA Technical Reports Server (NTRS)

Vranish, John M. (Inventor)

1993-01-01

A system for coupling two bodies together and for transmitting torque from one body to another with mechanical timing and sequencing is reported. The mechanical timing and sequencing is handled so that the following criteria are met: (1) the bodies are handled in a safe manner and nothing floats loose in space, (2) electrical connectors are engaged as long as possible so that the internal processes can be monitored throughout by sensors, and (3) electrical and mechanical power and signals are coupled. The first body has a splined driver for providing the input torque. The second body has a threaded drive member capable of rotation and limited translation. The embedded drive member will mate with and fasten to the splined driver. The second body has an embedded bevel gear member capable of rotation and limited translation. This bevel gear member is coaxial with the threaded drive member. A compression spring provides a preload on the rotating threaded member, and a thrust bearing is used for limiting the translation of the bevel gear member so that when the bevel gear member reaches the upward limit of its translation the two bodies are fully coupled and the bevel gear member then rotates due to the input torque transmitted from the splined driver through the threaded drive member to the bevel gear member. An output bevel gear with an attached output drive shaft is embedded in the second body and meshes with the threaded rotating bevel gear member to transmit the input torque to the output drive shaft.

MRI Signal Intensity Based B-Spline Nonrigid Registration for Pre- and Intraoperative Imaging During Prostate Brachytherapy

PubMed Central

Oguro, Sota; Tokuda, Junichi; Elhawary, Haytham; Haker, Steven; Kikinis, Ron; Tempany, Clare M.C.; Hata, Nobuhiko

2009-01-01

Purpose To apply an intensity-based nonrigid registration algorithm to MRI-guided prostate brachytherapy clinical data and to assess its accuracy. Materials and Methods A nonrigid registration of preoperative MRI to intraoperative MRI images was carried out in 16 cases using a Basis-Spline algorithm in a retrospective manner. The registration was assessed qualitatively by experts’ visual inspection and quantitatively by measuring the Dice similarity coefficient (DSC) for total gland (TG), central gland (CG), and peripheral zone (PZ), the mutual information (MI) metric, and the fiducial registration error (FRE) between corresponding anatomical landmarks for both the nonrigid and a rigid registration method. Results All 16 cases were successfully registered in less than 5 min. After the nonrigid registration, DSC values for TG, CG, PZ were 0.91, 0.89, 0.79, respectively, the MI metric was −0.19 ± 0.07 and FRE presented a value of 2.3 ± 1.8 mm. All the metrics were significantly better than in the case of rigid registration, as determined by one-sided t-tests. Conclusion The intensity-based nonrigid registration method using clinical data was demonstrated to be feasible and showed statistically improved metrics when compare to only rigid registration. The method is a valuable tool to integrate pre- and intraoperative images for brachytherapy. PMID:19856437

Spline based least squares integration for two-dimensional shape or wavefront reconstruction

DOE PAGES

Huang, Lei; Xue, Junpeng; Gao, Bo; ...

2016-12-21

In this paper, we present a novel method to handle two-dimensional shape or wavefront reconstruction from its slopes. The proposed integration method employs splines to fit the measured slope data with piecewise polynomials and uses the analytical polynomial functions to represent the height changes in a lateral spacing with the pre-determined spline coefficients. The linear least squares method is applied to estimate the height or wavefront as a final result. Numerical simulations verify that the proposed method has less algorithm errors than two other existing methods used for comparison. Especially at the boundaries, the proposed method has better performance. Themore » noise influence is studied by adding white Gaussian noise to the slope data. Finally, experimental data from phase measuring deflectometry are tested to demonstrate the feasibility of the new method in a practical measurement.« less

Spline based least squares integration for two-dimensional shape or wavefront reconstruction

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

Huang, Lei; Xue, Junpeng; Gao, Bo

In this paper, we present a novel method to handle two-dimensional shape or wavefront reconstruction from its slopes. The proposed integration method employs splines to fit the measured slope data with piecewise polynomials and uses the analytical polynomial functions to represent the height changes in a lateral spacing with the pre-determined spline coefficients. The linear least squares method is applied to estimate the height or wavefront as a final result. Numerical simulations verify that the proposed method has less algorithm errors than two other existing methods used for comparison. Especially at the boundaries, the proposed method has better performance. Themore » noise influence is studied by adding white Gaussian noise to the slope data. Finally, experimental data from phase measuring deflectometry are tested to demonstrate the feasibility of the new method in a practical measurement.« less

Cortical surface registration using spherical thin-plate spline with sulcal lines and mean curvature as features.

PubMed

Park, Hyunjin; Park, Jun-Sung; Seong, Joon-Kyung; Na, Duk L; Lee, Jong-Min

2012-04-30

Analysis of cortical patterns requires accurate cortical surface registration. Many researchers map the cortical surface onto a unit sphere and perform registration of two images defined on the unit sphere. Here we have developed a novel registration framework for the cortical surface based on spherical thin-plate splines. Small-scale composition of spherical thin-plate splines was used as the geometric interpolant to avoid folding in the geometric transform. Using an automatic algorithm based on anisotropic skeletons, we extracted seven sulcal lines, which we then incorporated as landmark information. Mean curvature was chosen as an additional feature for matching between spherical maps. We employed a two-term cost function to encourage matching of both sulcal lines and the mean curvature between the spherical maps. Application of our registration framework to fifty pairwise registrations of T1-weighted MRI scans resulted in improved registration accuracy, which was computed from sulcal lines. Our registration approach was tested as an additional procedure to improve an existing surface registration algorithm. Our registration framework maintained an accurate registration over the sulcal lines while significantly increasing the cross-correlation of mean curvature between the spherical maps being registered. Copyright © 2012 Elsevier B.V. All rights reserved.

Linear spline multilevel models for summarising childhood growth trajectories: A guide to their application using examples from five birth cohorts.

PubMed

Howe, Laura D; Tilling, Kate; Matijasevich, Alicia; Petherick, Emily S; Santos, Ana Cristina; Fairley, Lesley; Wright, John; Santos, Iná S; Barros, Aluísio Jd; Martin, Richard M; Kramer, Michael S; Bogdanovich, Natalia; Matush, Lidia; Barros, Henrique; Lawlor, Debbie A

2016-10-01

Childhood growth is of interest in medical research concerned with determinants and consequences of variation from healthy growth and development. Linear spline multilevel modelling is a useful approach for deriving individual summary measures of growth, which overcomes several data issues (co-linearity of repeat measures, the requirement for all individuals to be measured at the same ages and bias due to missing data). Here, we outline the application of this methodology to model individual trajectories of length/height and weight, drawing on examples from five cohorts from different generations and different geographical regions with varying levels of economic development. We describe the unique features of the data within each cohort that have implications for the application of linear spline multilevel models, for example, differences in the density and inter-individual variation in measurement occasions, and multiple sources of measurement with varying measurement error. After providing example Stata syntax and a suggested workflow for the implementation of linear spline multilevel models, we conclude with a discussion of the advantages and disadvantages of the linear spline approach compared with other growth modelling methods such as fractional polynomials, more complex spline functions and other non-linear models. © The Author(s) 2013.

Linear spline multilevel models for summarising childhood growth trajectories: A guide to their application using examples from five birth cohorts

PubMed Central

Tilling, Kate; Matijasevich, Alicia; Petherick, Emily S; Santos, Ana Cristina; Fairley, Lesley; Wright, John; Santos, Iná S.; Barros, Aluísio JD; Martin, Richard M; Kramer, Michael S; Bogdanovich, Natalia; Matush, Lidia; Barros, Henrique; Lawlor, Debbie A

2013-01-01

Childhood growth is of interest in medical research concerned with determinants and consequences of variation from healthy growth and development. Linear spline multilevel modelling is a useful approach for deriving individual summary measures of growth, which overcomes several data issues (co-linearity of repeat measures, the requirement for all individuals to be measured at the same ages and bias due to missing data). Here, we outline the application of this methodology to model individual trajectories of length/height and weight, drawing on examples from five cohorts from different generations and different geographical regions with varying levels of economic development. We describe the unique features of the data within each cohort that have implications for the application of linear spline multilevel models, for example, differences in the density and inter-individual variation in measurement occasions, and multiple sources of measurement with varying measurement error. After providing example Stata syntax and a suggested workflow for the implementation of linear spline multilevel models, we conclude with a discussion of the advantages and disadvantages of the linear spline approach compared with other growth modelling methods such as fractional polynomials, more complex spline functions and other non-linear models. PMID:24108269

Use B-spline interpolation fitting baseline for low concentration 2, 6-di-tertbutyl p-cresol determination in jet fuels by differential pulse voltammetry

NASA Astrophysics Data System (ADS)

Wen, D. S.; Wen, H.; Shi, Y. G.; Su, B.; Li, Z. C.; Fan, G. Z.

2018-01-01

The B-spline interpolation fitting baseline in electrochemical analysis by differential pulse voltammetry was established for determining the lower concentration 2,6-di-tert-butyl p-cresol(BHT) in Jet Fuel that was less than 5.0 mg/L in the condition of the presence of the 6-tert-butyl-2,4-xylenol.The experimental results has shown that the relative errors are less than 2.22%, the sum of standard deviations less than 0.134mg/L, the correlation coefficient more than 0.9851. If the 2,6-ditert-butyl p-cresol concentration is higher than 5.0mg/L, linear fitting baseline method would be more applicable and simpler.

Micro-scale blood particulate dynamics using a non-uniform rational B-spline-based isogeometric analysis.

PubMed

Chivukula, V; Mousel, J; Lu, J; Vigmostad, S

2014-12-01

The current research presents a novel method in which blood particulates - biconcave red blood cells (RBCs) and spherical cells are modeled using isogeometric analysis, specifically Non-Uniform Rational B-Splines (NURBS) in 3-D. The use of NURBS ensures that even with a coarse representation, the geometry of the blood particulates maintains an accurate description when subjected to large deformations. The fundamental advantage of this method is the coupling of the geometrical description and the stress analysis of the cell membrane into a single, unified framework. Details on the modeling approach, implementation of boundary conditions and the membrane mechanics analysis using isogeometric modeling are presented, along with validation cases for spherical and biconcave cells. Using NURBS - based isogeometric analysis, the behavior of individual cells in fluid flow is presented and analyzed in different flow regimes using as few as 176 elements for a spherical cell and 220 elements for a biconcave RBC. This work provides a framework for modeling a large number of 3-D deformable biological cells, each with its own geometric description and membrane properties. To the best knowledge of the authors, this is the first application of the NURBS - based isogeometric analysis to model and simulate blood particulates in flow in 3D. Copyright © 2014 John Wiley & Sons, Ltd.

Corner smoothing of 2D milling toolpath using b-spline curve by optimizing the contour error and the feedrate

NASA Astrophysics Data System (ADS)

Özcan, Abdullah; Rivière-Lorphèvre, Edouard; Ducobu, François

2018-05-01

In part manufacturing, efficient process should minimize the cycle time needed to reach the prescribed quality on the part. In order to optimize it, the machining time needs to be as low as possible and the quality needs to meet some requirements. For a 2D milling toolpath defined by sharp corners, the programmed feedrate is different from the reachable feedrate due to kinematic limits of the motor drives. This phenomena leads to a loss of productivity. Smoothing the toolpath allows to reduce significantly the machining time but the dimensional accuracy should not be neglected. Therefore, a way to address the problem of optimizing a toolpath in part manufacturing is to take into account the manufacturing time and the part quality. On one hand, maximizing the feedrate will minimize the manufacturing time and, on the other hand, the maximum of the contour error needs to be set under a threshold to meet the quality requirements. This paper presents a method to optimize sharp corner smoothing using b-spline curves by adjusting the control points defining the curve. The objective function used in the optimization process is based on the contour error and the difference between the programmed feedrate and an estimation of the reachable feedrate. The estimation of the reachable feedrate is based on geometrical information. Some simulation results are presented in the paper and the machining times are compared in each cases.

On the usefulness of gradient information in multi-objective deformable image registration using a B-spline-based dual-dynamic transformation model: comparison of three optimization algorithms

NASA Astrophysics Data System (ADS)

Pirpinia, Kleopatra; Bosman, Peter A. N.; Sonke, Jan-Jakob; van Herk, Marcel; Alderliesten, Tanja

2015-03-01

The use of gradient information is well-known to be highly useful in single-objective optimization-based image registration methods. However, its usefulness has not yet been investigated for deformable image registration from a multi-objective optimization perspective. To this end, within a previously introduced multi-objective optimization framework, we use a smooth B-spline-based dual-dynamic transformation model that allows us to derive gradient information analytically, while still being able to account for large deformations. Within the multi-objective framework, we previously employed a powerful evolutionary algorithm (EA) that computes and advances multiple outcomes at once, resulting in a set of solutions (a so-called Pareto front) that represents efficient trade-offs between the objectives. With the addition of the B-spline-based transformation model, we studied the usefulness of gradient information in multiobjective deformable image registration using three different optimization algorithms: the (gradient-less) EA, a gradientonly algorithm, and a hybridization of these two. We evaluated the algorithms to register highly deformed images: 2D MRI slices of the breast in prone and supine positions. Results demonstrate that gradient-based multi-objective optimization significantly speeds up optimization in the initial stages of optimization. However, allowing sufficient computational resources, better results could still be obtained with the EA. Ultimately, the hybrid EA found the best overall approximation of the optimal Pareto front, further indicating that adding gradient-based optimization for multiobjective optimization-based deformable image registration can indeed be beneficial

Robust Spatial Approximation of Laser Scanner Point Clouds by Means of Free-form Curve Approaches in Deformation Analysis

NASA Astrophysics Data System (ADS)

Bureick, Johannes; Alkhatib, Hamza; Neumann, Ingo

2016-03-01

In many geodetic engineering applications it is necessary to solve the problem of describing a measured data point cloud, measured, e. g. by laser scanner, by means of free-form curves or surfaces, e. g., with B-Splines as basis functions. The state of the art approaches to determine B-Splines yields results which are seriously manipulated by the occurrence of data gaps and outliers. Optimal and robust B-Spline fitting depend, however, on optimal selection of the knot vector. Hence we combine in our approach Monte-Carlo methods and the location and curvature of the measured data in order to determine the knot vector of the B-Spline in such a way that no oscillating effects at the edges of data gaps occur. We introduce an optimized approach based on computed weights by means of resampling techniques. In order to minimize the effect of outliers, we apply robust M-estimators for the estimation of control points. The above mentioned approach will be applied to a multi-sensor system based on kinematic terrestrial laserscanning in the field of rail track inspection.

Spline Trajectory Algorithm Development: Bezier Curve Control Point Generation for UAVs

NASA Technical Reports Server (NTRS)

Howell, Lauren R.; Allen, B. Danette

2016-01-01

A greater need for sophisticated autonomous piloting systems has risen in direct correlation with the ubiquity of Unmanned Aerial Vehicle (UAV) technology. Whether surveying unknown or unexplored areas of the world, collecting scientific data from regions in which humans are typically incapable of entering, locating lost or wanted persons, or delivering emergency supplies, an unmanned vehicle moving in close proximity to people and other vehicles, should fly smoothly and predictably. The mathematical application of spline interpolation can play an important role in autopilots' on-board trajectory planning. Spline interpolation allows for the connection of Three-Dimensional Euclidean Space coordinates through a continuous set of smooth curves. This paper explores the motivation, application, and methodology used to compute the spline control points, which shape the curves in such a way that the autopilot trajectory is able to meet vehicle-dynamics limitations. The spline algorithms developed used to generate these curves supply autopilots with the information necessary to compute vehicle paths through a set of coordinate waypoints.

Presentation of growth velocities of rural Haitian children using smoothing spline techniques.

PubMed

Waternaux, C; Hebert, J R; Dawson, R; Berggren, G G

1987-01-01

The examination of monthly (or quarterly) increments in weight or length is important for assessing the nutritional and health status of children. Growth velocities are widely thought to be more important than actual weight or length measurements per se. However, there are no standards by which clinicians, researchers, or parents can gauge a child's growth. This paper describes a method for computing growth velocities (monthly increments) for physical growth measurements with substantial measurement error and irregular spacing over time. These features are characteristic of data collected in the field where conditions are less than ideal. The technique of smoothing by splines provides a powerful tool to deal with the variability and irregularity of the measurements. The technique consists of approximating the observed data by a smooth curve as a clinician might have drawn on the child's growth chart. Spline functions are particularly appropriate to describe bio-physical processes such as growth, for which no model can be postulated a priori. This paper describes how the technique was used for the analysis of a large data base collected on pre-school aged children in rural Haiti. The sex-specific length and weight velocities derived from the spline-smoothed data are presented as reference data for researchers and others interested in longitudinal growth of children in the Third World.

A new background subtraction method for energy dispersive X-ray fluorescence spectra using a cubic spline interpolation

NASA Astrophysics Data System (ADS)

Yi, Longtao; Liu, Zhiguo; Wang, Kai; Chen, Man; Peng, Shiqi; Zhao, Weigang; He, Jialin; Zhao, Guangcui

2015-03-01

A new method is presented to subtract the background from the energy dispersive X-ray fluorescence (EDXRF) spectrum using a cubic spline interpolation. To accurately obtain interpolation nodes, a smooth fitting and a set of discriminant formulations were adopted. From these interpolation nodes, the background is estimated by a calculated cubic spline function. The method has been tested on spectra measured from a coin and an oil painting using a confocal MXRF setup. In addition, the method has been tested on an existing sample spectrum. The result confirms that the method can properly subtract the background.

Spline-locking screw fastening strategy

NASA Technical Reports Server (NTRS)

Vranish, John M.

1992-01-01

A fastener was developed by NASA Goddard for efficiently performing assembly, maintenance, and equipment replacement functions in space using either robotics or astronaut means. This fastener, the 'Spline Locking Screw' (SLS) would also have significant commercial value in advanced space manufacturing. Commercial (or DoD) products could be manufactured in such a way that their prime subassemblies would be assembled using SLS fasteners. This would permit machines and robots to disconnect and replace these modules/parts with ease, greatly reducing life cycle costs of the products and greatly enhancing the quality, timeliness, and consistency of repairs, upgrades, and remanufacturing. The operation of the basic SLS fastener is detailed, including hardware and test results. Its extension into a comprehensive fastening strategy for NASA use in space is also outlined. Following this, the discussion turns toward potential commercial and government applications and the potential market significance of same.

Doubly stochastic radial basis function methods

NASA Astrophysics Data System (ADS)

Yang, Fenglian; Yan, Liang; Ling, Leevan

2018-06-01

We propose a doubly stochastic radial basis function (DSRBF) method for function recoveries. Instead of a constant, we treat the RBF shape parameters as stochastic variables whose distribution were determined by a stochastic leave-one-out cross validation (LOOCV) estimation. A careful operation count is provided in order to determine the ranges of all the parameters in our methods. The overhead cost for setting up the proposed DSRBF method is O (n2) for function recovery problems with n basis. Numerical experiments confirm that the proposed method not only outperforms constant shape parameter formulation (in terms of accuracy with comparable computational cost) but also the optimal LOOCV formulation (in terms of both accuracy and computational cost).

Midbond basis functions for weakly bound complexes

NASA Astrophysics Data System (ADS)

Shaw, Robert A.; Hill, J. Grant

2018-06-01

Weakly bound systems present a difficult problem for conventional atom-centred basis sets due to large separations, necessitating the use of large, computationally expensive bases. This can be remedied by placing a small number of functions in the region between molecules in the complex. We present compact sets of optimised midbond functions for a range of complexes involving noble gases, alkali metals and small molecules for use in high accuracy coupled -cluster calculations, along with a more robust procedure for their optimisation. It is shown that excellent results are possible with double-zeta quality orbital basis sets when a few midbond functions are added, improving both the interaction energy and the equilibrium bond lengths of a series of noble gas dimers by 47% and 8%, respectively. When used in conjunction with explicitly correlated methods, near complete basis set limit accuracy is readily achievable at a fraction of the cost that using a large basis would entail. General purpose auxiliary sets are developed to allow explicitly correlated midbond function studies to be carried out, making it feasible to perform very high accuracy calculations on weakly bound complexes.

An Unconditionally Monotone C 2 Quartic Spline Method with Nonoscillation Derivatives

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

Yao, Jin; Nelson, Karl E.

Here, a one-dimensional monotone interpolation method based on interface reconstruction with partial volumes in the slope-space utilizing the Hermite cubic-spline, is proposed. The new method is only quartic, however is C 2 and unconditionally monotone. A set of control points is employed to constrain the curvature of the interpolation function and to eliminate possible nonphysical oscillations in the slope space. An extension of this method in two-dimensions is also discussed.

An Unconditionally Monotone C 2 Quartic Spline Method with Nonoscillation Derivatives

DOE PAGES

Yao, Jin; Nelson, Karl E.

2018-01-24

Here, a one-dimensional monotone interpolation method based on interface reconstruction with partial volumes in the slope-space utilizing the Hermite cubic-spline, is proposed. The new method is only quartic, however is C 2 and unconditionally monotone. A set of control points is employed to constrain the curvature of the interpolation function and to eliminate possible nonphysical oscillations in the slope space. An extension of this method in two-dimensions is also discussed.

[An Improved Cubic Spline Interpolation Method for Removing Electrocardiogram Baseline Drift].

PubMed

Wang, Xiangkui; Tang, Wenpu; Zhang, Lai; Wu, Minghu

2016-04-01

The selection of fiducial points has an important effect on electrocardiogram(ECG)denoise with cubic spline interpolation.An improved cubic spline interpolation algorithm for suppressing ECG baseline drift is presented in this paper.Firstly the first order derivative of original ECG signal is calculated,and the maximum and minimum points of each beat are obtained,which are treated as the position of fiducial points.And then the original ECG is fed into a high pass filter with 1.5Hz cutoff frequency.The difference between the original and the filtered ECG at the fiducial points is taken as the amplitude of the fiducial points.Then cubic spline interpolation curve fitting is used to the fiducial points,and the fitting curve is the baseline drift curve.For the two simulated case test,the correlation coefficients between the fitting curve by the presented algorithm and the simulated curve were increased by 0.242and0.13 compared with that from traditional cubic spline interpolation algorithm.And for the case of clinical baseline drift data,the average correlation coefficient from the presented algorithm achieved 0.972.

SU-E-J-89: Deformable Registration Method Using B-TPS in Radiotherapy.

PubMed

Xie, Y

2012-06-01

A novel deformable registration method for four-dimensional computed tomography (4DCT) images is developed in radiation therapy. The proposed method combines the thin plate spline (TPS) and B-spline together to achieve high accuracy and high efficiency. The method consists of two steps. First, TPS is used as a global registration method to deform large unfit regions in the moving image to match counterpart in the reference image. Then B-spline is used for local registration, the previous deformed moving image is further deformed to match the reference image more accurately. Two clinical CT image sets, including one pair of lung and one pair of liver, are simulated using the proposed algorithm, which results in a tremendous improvement in both run-time and registration quality, compared with the conventional methods solely using either TPS or B-spline. The proposed method can combine the efficiency of TPS and the accuracy of B-spline, performing good adaptively and robust in registration of clinical 4DCT image. © 2012 American Association of Physicists in Medicine.

Imaging Freeform Optical Systems Designed with NURBS Surfaces

DTIC Science & Technology

2015-12-01

reflective, anastigmat 1 Introduction The imaging freeform optical systems described here are designed using non-uniform rational basis -spline (NURBS...from piecewise splines. Figure 1 shows a third degree NURBS surface which is formed from cubic basis splines. The surface is defined by the set of...with mathematical details covered by Piegl and Tiller7. Compare this with Gaussian basis functions8 where it is challenging to provide smooth

Series-nonuniform rational B-spline signal feedback: From chaos to any embedded periodic orbit or target point.

PubMed

Shao, Chenxi; Xue, Yong; Fang, Fang; Bai, Fangzhou; Yin, Peifeng; Wang, Binghong

2015-07-01

The self-controlling feedback control method requires an external periodic oscillator with special design, which is technically challenging. This paper proposes a chaos control method based on time series non-uniform rational B-splines (SNURBS for short) signal feedback. It first builds the chaos phase diagram or chaotic attractor with the sampled chaotic time series and any target orbit can then be explicitly chosen according to the actual demand. Second, we use the discrete timing sequence selected from the specific target orbit to build the corresponding external SNURBS chaos periodic signal, whose difference from the system current output is used as the feedback control signal. Finally, by properly adjusting the feedback weight, we can quickly lead the system to an expected status. We demonstrate both the effectiveness and efficiency of our method by applying it to two classic chaotic systems, i.e., the Van der Pol oscillator and the Lorenz chaotic system. Further, our experimental results show that compared with delayed feedback control, our method takes less time to obtain the target point or periodic orbit (from the starting point) and that its parameters can be fine-tuned more easily.

Series-nonuniform rational B-spline signal feedback: From chaos to any embedded periodic orbit or target point

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

Shao, Chenxi, E-mail: cxshao@ustc.edu.cn; Xue, Yong; Fang, Fang

2015-07-15

The self-controlling feedback control method requires an external periodic oscillator with special design, which is technically challenging. This paper proposes a chaos control method based on time series non-uniform rational B-splines (SNURBS for short) signal feedback. It first builds the chaos phase diagram or chaotic attractor with the sampled chaotic time series and any target orbit can then be explicitly chosen according to the actual demand. Second, we use the discrete timing sequence selected from the specific target orbit to build the corresponding external SNURBS chaos periodic signal, whose difference from the system current output is used as the feedbackmore » control signal. Finally, by properly adjusting the feedback weight, we can quickly lead the system to an expected status. We demonstrate both the effectiveness and efficiency of our method by applying it to two classic chaotic systems, i.e., the Van der Pol oscillator and the Lorenz chaotic system. Further, our experimental results show that compared with delayed feedback control, our method takes less time to obtain the target point or periodic orbit (from the starting point) and that its parameters can be fine-tuned more easily.« less

Constrained and Unconstrained Localization for Automated Inspection of Marine Propellers

DTIC Science & Technology

1991-05-01

associated control polyhedron and hq, (0 < i < m - 1, 0 < j n - 1) are positive weights. B1 v(u) and Bj,’v) are the B-spline basis functions over open...Inspection by Database Matching. Technical Report CMU-RI-TR-85-4, The Robotics Institute, Carnegie Mellon University, March, 1985. Tuohy, S. T., Patrikalakis

A sequential method for spline approximation with variable knots. [recursive piecewise polynomial signal processing

NASA Technical Reports Server (NTRS)

Mier Muth, A. M.; Willsky, A. S.

1978-01-01

In this paper we describe a method for approximating a waveform by a spline. The method is quite efficient, as the data are processed sequentially. The basis of the approach is to view the approximation problem as a question of estimation of a polynomial in noise, with the possibility of abrupt changes in the highest derivative. This allows us to bring several powerful statistical signal processing tools into play. We also present some initial results on the application of our technique to the processing of electrocardiograms, where the knot locations themselves may be some of the most important pieces of diagnostic information.

A radial basis function Galerkin method for inhomogeneous nonlocal diffusion

DOE PAGES

Lehoucq, Richard B.; Rowe, Stephen T.

2016-02-01

We introduce a discretization for a nonlocal diffusion problem using a localized basis of radial basis functions. The stiffness matrix entries are assembled by a special quadrature routine unique to the localized basis. Combining the quadrature method with the localized basis produces a well-conditioned, sparse, symmetric positive definite stiffness matrix. We demonstrate that both the continuum and discrete problems are well-posed and present numerical results for the convergence behavior of the radial basis function method. As a result, we explore approximating the solution to anisotropic differential equations by solving anisotropic nonlocal integral equations using the radial basis function method.

TWO-LEVEL TIME MARCHING SCHEME USING SPLINES FOR SOLVING THE ADVECTION EQUATION. (R826371C004)

EPA Science Inventory

A new numerical algorithm using quintic splines is developed and analyzed: quintic spline Taylor-series expansion (QSTSE). QSTSE is an Eulerian flux-based scheme that uses quintic splines to compute space derivatives and Taylor series expansion to march in time. The new scheme...

Functional Generalized Additive Models.

PubMed

McLean, Mathew W; Hooker, Giles; Staicu, Ana-Maria; Scheipl, Fabian; Ruppert, David

2014-01-01

We introduce the functional generalized additive model (FGAM), a novel regression model for association studies between a scalar response and a functional predictor. We model the link-transformed mean response as the integral with respect to t of F { X ( t ), t } where F (·,·) is an unknown regression function and X ( t ) is a functional covariate. Rather than having an additive model in a finite number of principal components as in Müller and Yao (2008), our model incorporates the functional predictor directly and thus our model can be viewed as the natural functional extension of generalized additive models. We estimate F (·,·) using tensor-product B-splines with roughness penalties. A pointwise quantile transformation of the functional predictor is also considered to ensure each tensor-product B-spline has observed data on its support. The methods are evaluated using simulated data and their predictive performance is compared with other competing scalar-on-function regression alternatives. We illustrate the usefulness of our approach through an application to brain tractography, where X ( t ) is a signal from diffusion tensor imaging at position, t , along a tract in the brain. In one example, the response is disease-status (case or control) and in a second example, it is the score on a cognitive test. R code for performing the simulations and fitting the FGAM can be found in supplemental materials available online.

Physically Based Modeling and Simulation with Dynamic Spherical Volumetric Simplex Splines

PubMed Central

Tan, Yunhao; Hua, Jing; Qin, Hong

2009-01-01

In this paper, we present a novel computational modeling and simulation framework based on dynamic spherical volumetric simplex splines. The framework can handle the modeling and simulation of genus-zero objects with real physical properties. In this framework, we first develop an accurate and efficient algorithm to reconstruct the high-fidelity digital model of a real-world object with spherical volumetric simplex splines which can represent with accuracy geometric, material, and other properties of the object simultaneously. With the tight coupling of Lagrangian mechanics, the dynamic volumetric simplex splines representing the object can accurately simulate its physical behavior because it can unify the geometric and material properties in the simulation. The visualization can be directly computed from the object’s geometric or physical representation based on the dynamic spherical volumetric simplex splines during simulation without interpolation or resampling. We have applied the framework for biomechanic simulation of brain deformations, such as brain shifting during the surgery and brain injury under blunt impact. We have compared our simulation results with the ground truth obtained through intra-operative magnetic resonance imaging and the real biomechanic experiments. The evaluations demonstrate the excellent performance of our new technique. PMID:20161636

Ray-tracing method for creeping waves on arbitrarily shaped nonuniform rational B-splines surfaces.

PubMed

Chen, Xi; He, Si-Yuan; Yu, Ding-Feng; Yin, Hong-Cheng; Hu, Wei-Dong; Zhu, Guo-Qiang

2013-04-01

An accurate creeping ray-tracing algorithm is presented in this paper to determine the tracks of creeping waves (or creeping rays) on arbitrarily shaped free-form parametric surfaces [nonuniform rational B-splines (NURBS) surfaces]. The main challenge in calculating the surface diffracted fields on NURBS surfaces is due to the difficulty in determining the geodesic paths along which the creeping rays propagate. On one single parametric surface patch, the geodesic paths need to be computed by solving the geodesic equations numerically. Furthermore, realistic objects are generally modeled as the union of several connected NURBS patches. Due to the discontinuity of the parameter between the patches, it is more complicated to compute geodesic paths on several connected patches than on one single patch. Thus, a creeping ray-tracing algorithm is presented in this paper to compute the geodesic paths of creeping rays on the complex objects that are modeled as the combination of several NURBS surface patches. In the algorithm, the creeping ray tracing on each surface patch is performed by solving the geodesic equations with a Runge-Kutta method. When the creeping ray propagates from one patch to another, a transition method is developed to handle the transition of the creeping ray tracing across the border between the patches. This creeping ray-tracing algorithm can meet practical requirements because it can be applied to the objects with complex shapes. The algorithm can also extend the applicability of NURBS for electromagnetic and optical applications. The validity and usefulness of the algorithm can be verified from the numerical results.

A Multidimensional B-Spline Correction for Accurate Modeling Sugar Puckering in QM/MM Simulations.

PubMed

Huang, Ming; Dissanayake, Thakshila; Kuechler, Erich; Radak, Brian K; Lee, Tai-Sung; Giese, Timothy J; York, Darrin M

2017-09-12

The computational efficiency of approximate quantum mechanical methods allows their use for the construction of multidimensional reaction free energy profiles. It has recently been demonstrated that quantum models based on the neglect of diatomic differential overlap (NNDO) approximation have difficulty modeling deoxyribose and ribose sugar ring puckers and thus limit their predictive value in the study of RNA and DNA systems. A method has been introduced in our previous work to improve the description of the sugar puckering conformational landscape that uses a multidimensional B-spline correction map (BMAP correction) for systems involving intrinsically coupled torsion angles. This method greatly improved the adiabatic potential energy surface profiles of DNA and RNA sugar rings relative to high-level ab initio methods even for highly problematic NDDO-based models. In the present work, a BMAP correction is developed, implemented, and tested in molecular dynamics simulations using the AM1/d-PhoT semiempirical Hamiltonian for biological phosphoryl transfer reactions. Results are presented for gas-phase adiabatic potential energy surfaces of RNA transesterification model reactions and condensed-phase QM/MM free energy surfaces for nonenzymatic and RNase A-catalyzed transesterification reactions. The results show that the BMAP correction is stable, efficient, and leads to improvement in both the potential energy and free energy profiles for the reactions studied, as compared with ab initio and experimental reference data. Exploration of the effect of the size of the quantum mechanical region indicates the best agreement with experimental reaction barriers occurs when the full CpA dinucleotide substrate is treated quantum mechanically with the sugar pucker correction.

Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.

PubMed

Mitin, Alexander V

2013-09-05

The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.

Correcting bias in the rational polynomial coefficients of satellite imagery using thin-plate smoothing splines

NASA Astrophysics Data System (ADS)

Shen, Xiang; Liu, Bin; Li, Qing-Quan

2017-03-01

The Rational Function Model (RFM) has proven to be a viable alternative to the rigorous sensor models used for geo-processing of high-resolution satellite imagery. Because of various errors in the satellite ephemeris and instrument calibration, the Rational Polynomial Coefficients (RPCs) supplied by image vendors are often not sufficiently accurate, and there is therefore a clear need to correct the systematic biases in order to meet the requirements of high-precision topographic mapping. In this paper, we propose a new RPC bias-correction method using the thin-plate spline modeling technique. Benefiting from its excellent performance and high flexibility in data fitting, the thin-plate spline model has the potential to remove complex distortions in vendor-provided RPCs, such as the errors caused by short-period orbital perturbations. The performance of the new method was evaluated by using Ziyuan-3 satellite images and was compared against the recently developed least-squares collocation approach, as well as the classical affine-transformation and quadratic-polynomial based methods. The results show that the accuracies of the thin-plate spline and the least-squares collocation approaches were better than the other two methods, which indicates that strong non-rigid deformations exist in the test data because they cannot be adequately modeled by simple polynomial-based methods. The performance of the thin-plate spline method was close to that of the least-squares collocation approach when only a few Ground Control Points (GCPs) were used, and it improved more rapidly with an increase in the number of redundant observations. In the test scenario using 21 GCPs (some of them located at the four corners of the scene), the correction residuals of the thin-plate spline method were about 36%, 37%, and 19% smaller than those of the affine transformation method, the quadratic polynomial method, and the least-squares collocation algorithm, respectively, which demonstrates

Basis convergence of range-separated density-functional theory

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

Franck, Odile, E-mail: odile.franck@etu.upmc.fr; Mussard, Bastien, E-mail: bastien.mussard@upmc.fr; CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. Wemore » study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N{sub 2}, and H{sub 2}O) with cardinal number X of the Dunning basis sets cc − p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.« less

Basis convergence of range-separated density-functional theory.

PubMed

Franck, Odile; Mussard, Bastien; Luppi, Eleonora; Toulouse, Julien

2015-02-21

Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N2, and H2O) with cardinal number X of the Dunning basis sets cc - p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.

Functional Generalized Structured Component Analysis.

PubMed

Suk, Hye Won; Hwang, Heungsun

2016-12-01

An extension of Generalized Structured Component Analysis (GSCA), called Functional GSCA, is proposed to analyze functional data that are considered to arise from an underlying smooth curve varying over time or other continua. GSCA has been geared for the analysis of multivariate data. Accordingly, it cannot deal with functional data that often involve different measurement occasions across participants and a large number of measurement occasions that exceed the number of participants. Functional GSCA addresses these issues by integrating GSCA with spline basis function expansions that represent infinite-dimensional curves onto a finite-dimensional space. For parameter estimation, functional GSCA minimizes a penalized least squares criterion by using an alternating penalized least squares estimation algorithm. The usefulness of functional GSCA is illustrated with gait data.

Spline-Locking Screw Fastening Strategy (SLSFS)

NASA Technical Reports Server (NTRS)

Vranish, John M.

1991-01-01

A fastener was developed by NASA Goddard for efficiently performing assembly, maintenance, and equipment replacement functions in space using either robotic or astronaut means. This fastener, the 'Spline Locking Screw' (SLS) would also have significant commercial value in advanced manufacturing. Commercial (or DoD) products could be manufactured in such a way that their prime subassemblies would be assembled using SLS fasteners. This would permit machines and robots to disconnect and replace these modules/parts with ease, greatly reducing life cycle costs of the products and greatly enhancing the quality, timeliness, and consistency of repairs, upgrades, and remanufacturing. The operation of the basic SLS fastener is detailed, including hardware and test results. Its extension into a comprehensive fastening strategy for NASA use in space is also outlined. Following this, the discussion turns toward potential commercial and government applications and the potential market significance of same.

Spline Laplacian estimate of EEG potentials over a realistic magnetic resonance-constructed scalp surface model.

PubMed

Babiloni, F; Babiloni, C; Carducci, F; Fattorini, L; Onorati, P; Urbano, A

1996-04-01

This paper presents a realistic Laplacian (RL) estimator based on a tensorial formulation of the surface Laplacian (SL) that uses the 2-D thin plate spline function to obtain a mathematical description of a realistic scalp surface. Because of this tensorial formulation, the RL does not need an orthogonal reference frame placed on the realistic scalp surface. In simulation experiments the RL was estimated with an increasing number of "electrodes" (up to 256) on a mathematical scalp model, the analytic Laplacian being used as a reference. Second and third order spherical spline Laplacian estimates were examined for comparison. Noise of increasing magnitude and spatial frequency was added to the simulated potential distributions. Movement-related potentials and somatosensory evoked potentials sampled with 128 electrodes were used to estimate the RL on a realistically shaped, MR-constructed model of the subject's scalp surface. The RL was also estimated on a mathematical spherical scalp model computed from the real scalp surface. Simulation experiments showed that the performances of the RL estimator were similar to those of the second and third order spherical spline Laplacians. Furthermore, the information content of scalp-recorded potentials was clearly better when the RL estimator computed the SL of the potential on an MR-constructed scalp surface model.

A practical radial basis function equalizer.

PubMed

Lee, J; Beach, C; Tepedelenlioglu, N

1999-01-01

A radial basis function (RBF) equalizer design process has been developed in which the number of basis function centers used is substantially fewer than conventionally required. The reduction of centers is accomplished in two-steps. First an algorithm is used to select a reduced set of centers that lie close to the decision boundary. Then the centers in this reduced set are grouped, and an average position is chosen to represent each group. Channel order and delay, which are determining factors in setting the initial number of centers, are estimated from regression analysis. In simulation studies, an RBF equalizer with more than 2000-to-1 reduction in centers performed as well as the RBF equalizer without reduction in centers, and better than a conventional linear equalizer.

Localized basis functions and other computational improvements in variational nonorthogonal basis function methods for quantum mechanical scattering problems involving chemical reactions

NASA Technical Reports Server (NTRS)

Schwenke, David W.; Truhlar, Donald G.

1990-01-01

The Generalized Newton Variational Principle for 3D quantum mechanical reactive scattering is briefly reviewed. Then three techniques are described which improve the efficiency of the computations. First, the fact that the Hamiltonian is Hermitian is used to reduce the number of integrals computed, and then the properties of localized basis functions are exploited in order to eliminate redundant work in the integral evaluation. A new type of localized basis function with desirable properties is suggested. It is shown how partitioned matrices can be used with localized basis functions to reduce the amount of work required to handle the complex boundary conditions. The new techniques do not introduce any approximations into the calculations, so they may be used to obtain converged solutions of the Schroedinger equation.

Monotonicity preserving splines using rational cubic Timmer interpolation

NASA Astrophysics Data System (ADS)

Zakaria, Wan Zafira Ezza Wan; Alimin, Nur Safiyah; Ali, Jamaludin Md

2017-08-01

In scientific application and Computer Aided Design (CAD), users usually need to generate a spline passing through a given set of data, which preserves certain shape properties of the data such as positivity, monotonicity or convexity. The required curve has to be a smooth shape-preserving interpolant. In this paper a rational cubic spline in Timmer representation is developed to generate interpolant that preserves monotonicity with visually pleasing curve. To control the shape of the interpolant three parameters are introduced. The shape parameters in the description of the rational cubic interpolant are subjected to monotonicity constrained. The necessary and sufficient conditions of the rational cubic interpolant are derived and visually the proposed rational cubic Timmer interpolant gives very pleasing results.

A quantitative evaluation of pleural effusion on computed tomography scans using B-spline and local clustering level set.

PubMed

Song, Lei; Gao, Jungang; Wang, Sheng; Hu, Huasi; Guo, Youmin

2017-01-01

Estimation of the pleural effusion's volume is an important clinical issue. The existing methods cannot assess it accurately when there is large volume of liquid in the pleural cavity and/or the patient has some other disease (e.g. pneumonia). In order to help solve this issue, the objective of this study is to develop and test a novel algorithm using B-spline and local clustering level set method jointly, namely BLL. The BLL algorithm was applied to a dataset involving 27 pleural effusions detected on chest CT examination of 18 adult patients with the presence of free pleural effusion. Study results showed that average volumes of pleural effusion computed using the BLL algorithm and assessed manually by the physicians were 586 ml±339 ml and 604±352 ml, respectively. For the same patient, the volume of the pleural effusion, segmented semi-automatically, was 101.8% ±4.6% of that was segmented manually. Dice similarity was found to be 0.917±0.031. The study demonstrated feasibility of applying the new BLL algorithm to accurately measure the volume of pleural effusion.

Modeling terminal ballistics using blending-type spline surfaces

NASA Astrophysics Data System (ADS)

Pedersen, Aleksander; Bratlie, Jostein; Dalmo, Rune

2014-12-01

We explore using GERBS, a blending-type spline construction, to represent deform able thin-plates and model terminal ballistics. Strategies to construct geometry for different scenarios of terminal ballistics are proposed.

The basis function approach for modeling autocorrelation in ecological data

USGS Publications Warehouse

Hefley, Trevor J.; Broms, Kristin M.; Brost, Brian M.; Buderman, Frances E.; Kay, Shannon L.; Scharf, Henry; Tipton, John; Williams, Perry J.; Hooten, Mevin B.

2017-01-01

Analyzing ecological data often requires modeling the autocorrelation created by spatial and temporal processes. Many seemingly disparate statistical methods used to account for autocorrelation can be expressed as regression models that include basis functions. Basis functions also enable ecologists to modify a wide range of existing ecological models in order to account for autocorrelation, which can improve inference and predictive accuracy. Furthermore, understanding the properties of basis functions is essential for evaluating the fit of spatial or time-series models, detecting a hidden form of collinearity, and analyzing large data sets. We present important concepts and properties related to basis functions and illustrate several tools and techniques ecologists can use when modeling autocorrelation in ecological data.

Historical HIV incidence modelling in regional subgroups: use of flexible discrete models with penalized splines based on prior curves.

PubMed

Greenland, S

1996-03-15

This paper presents an approach to back-projection (back-calculation) of human immunodeficiency virus (HIV) person-year infection rates in regional subgroups based on combining a log-linear model for subgroup differences with a penalized spline model for trends. The penalized spline approach allows flexible trend estimation but requires far fewer parameters than fully non-parametric smoothers, thus saving parameters that can be used in estimating subgroup effects. Use of reasonable prior curve to construct the penalty function minimizes the degree of smoothing needed beyond model specification. The approach is illustrated in application to acquired immunodeficiency syndrome (AIDS) surveillance data from Los Angeles County.

The basis function approach for modeling autocorrelation in ecological data.

PubMed

Hefley, Trevor J; Broms, Kristin M; Brost, Brian M; Buderman, Frances E; Kay, Shannon L; Scharf, Henry R; Tipton, John R; Williams, Perry J; Hooten, Mevin B

2017-03-01

Analyzing ecological data often requires modeling the autocorrelation created by spatial and temporal processes. Many seemingly disparate statistical methods used to account for autocorrelation can be expressed as regression models that include basis functions. Basis functions also enable ecologists to modify a wide range of existing ecological models in order to account for autocorrelation, which can improve inference and predictive accuracy. Furthermore, understanding the properties of basis functions is essential for evaluating the fit of spatial or time-series models, detecting a hidden form of collinearity, and analyzing large data sets. We present important concepts and properties related to basis functions and illustrate several tools and techniques ecologists can use when modeling autocorrelation in ecological data. © 2016 by the Ecological Society of America.

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

NASA Astrophysics Data System (ADS)

Wang, Feng; Pang, Wenning; Duffy, Patrick

2012-12-01

Performance of a number of commonly used density functional methods in chemistry (B3LYP, Bhandh, BP86, PW91, VWN, LB94, PBe0, SAOP and X3LYP and the Hartree-Fock (HF) method) has been assessed using orbital momentum distributions of the 7σ orbital of nitrous oxide (NNO), which models electron behaviour in a chemically significant region. The density functional methods are combined with a number of Gaussian basis sets (Pople's 6-31G*, 6-311G**, DGauss TZVP and Dunning's aug-cc-pVTZ as well as even-tempered Slater basis sets, namely, et-DZPp, et-QZ3P, et-QZ+5P and et-pVQZ). Orbital momentum distributions of the 7σ orbital in the ground electronic state of NNO, which are obtained from a Fourier transform into momentum space from single point electronic calculations employing the above models, are compared with experimental measurement of the same orbital from electron momentum spectroscopy (EMS). The present study reveals information on performance of (a) the density functional methods, (b) Gaussian and Slater basis sets, (c) combinations of the density functional methods and basis sets, that is, the models, (d) orbital momentum distributions, rather than a group of specific molecular properties and (e) the entire region of chemical significance of the orbital. It is found that discrepancies of this orbital between the measured and the calculated occur in the small momentum region (i.e. large r region). In general, Slater basis sets achieve better overall performance than the Gaussian basis sets. Performance of the Gaussian basis sets varies noticeably when combining with different Vxc functionals, but Dunning's augcc-pVTZ basis set achieves the best performance for the momentum distributions of this orbital. The overall performance of the B3LYP and BP86 models is similar to newer models such as X3LYP and SAOP. The present study also demonstrates that the combinations of the density functional methods and the basis sets indeed make a difference in the quality of the

Estimation of Covariance Matrix on Bi-Response Longitudinal Data Analysis with Penalized Spline Regression

NASA Astrophysics Data System (ADS)

Islamiyati, A.; Fatmawati; Chamidah, N.

2018-03-01

The correlation assumption of the longitudinal data with bi-response occurs on the measurement between the subjects of observation and the response. It causes the auto-correlation of error, and this can be overcome by using a covariance matrix. In this article, we estimate the covariance matrix based on the penalized spline regression model. Penalized spline involves knot points and smoothing parameters simultaneously in controlling the smoothness of the curve. Based on our simulation study, the estimated regression model of the weighted penalized spline with covariance matrix gives a smaller error value compared to the error of the model without covariance matrix.

Splines and polynomial tools for flatness-based constrained motion planning

NASA Astrophysics Data System (ADS)

Suryawan, Fajar; De Doná, José; Seron, María

2012-08-01

This article addresses the problem of trajectory planning for flat systems with constraints. Flat systems have the useful property that the input and the state can be completely characterised by the so-called flat output. We propose a spline parametrisation for the flat output, the performance output, the states and the inputs. Using this parametrisation the problem of constrained trajectory planning can be cast into a simple quadratic programming problem. An important result is that the B-spline parametrisation used gives exact results for constrained linear continuous-time system. The result is exact in the sense that the constrained signal can be made arbitrarily close to the boundary without having intersampling issues (as one would have in sampled-data systems). Simulation examples are presented, involving the generation of rest-to-rest trajectories. In addition, an experimental result of the method is also presented, where two methods to generate trajectories for a magnetic-levitation (maglev) system in the presence of constraints are compared and each method's performance is discussed. The first method uses the nonlinear model of the plant, which turns out to belong to the class of flat systems. The second method uses a linearised version of the plant model around an operating point. In every case, a continuous-time description is used. The experimental results on a real maglev system reported here show that, in most scenarios, the nonlinear and linearised models produce almost similar, indistinguishable trajectories.

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

NASA Astrophysics Data System (ADS)

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

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

Genomic Bayesian functional regression models with interactions for predicting wheat grain yield using hyper-spectral image data.

PubMed

Montesinos-López, Abelardo; Montesinos-López, Osval A; Cuevas, Jaime; Mata-López, Walter A; Burgueño, Juan; Mondal, Sushismita; Huerta, Julio; Singh, Ravi; Autrique, Enrique; González-Pérez, Lorena; Crossa, José

2017-01-01

Modern agriculture uses hyperspectral cameras that provide hundreds of reflectance data at discrete narrow bands in many environments. These bands often cover the whole visible light spectrum and part of the infrared and ultraviolet light spectra. With the bands, vegetation indices are constructed for predicting agronomically important traits such as grain yield and biomass. However, since vegetation indices only use some wavelengths (referred to as bands), we propose using all bands simultaneously as predictor variables for the primary trait grain yield; results of several multi-environment maize (Aguate et al. in Crop Sci 57(5):1-8, 2017) and wheat (Montesinos-López et al. in Plant Methods 13(4):1-23, 2017) breeding trials indicated that using all bands produced better prediction accuracy than vegetation indices. However, until now, these prediction models have not accounted for the effects of genotype × environment (G × E) and band × environment (B × E) interactions incorporating genomic or pedigree information. In this study, we propose Bayesian functional regression models that take into account all available bands, genomic or pedigree information, the main effects of lines and environments, as well as G × E and B × E interaction effects. The data set used is comprised of 976 wheat lines evaluated for grain yield in three environments (Drought, Irrigated and Reduced Irrigation). The reflectance data were measured in 250 discrete narrow bands ranging from 392 to 851 nm (nm). The proposed Bayesian functional regression models were implemented using two types of basis: B-splines and Fourier. Results of the proposed Bayesian functional regression models, including all the wavelengths for predicting grain yield, were compared with results from conventional models with and without bands. We observed that the models with B × E interaction terms were the most accurate models, whereas the functional regression models (with B-splines and Fourier

Modeling positional effects of regulatory sequences with spline transformations increases prediction accuracy of deep neural networks

PubMed Central

Avsec, Žiga; Cheng, Jun; Gagneur, Julien

2018-01-01

Abstract Motivation Regulatory sequences are not solely defined by their nucleic acid sequence but also by their relative distances to genomic landmarks such as transcription start site, exon boundaries or polyadenylation site. Deep learning has become the approach of choice for modeling regulatory sequences because of its strength to learn complex sequence features. However, modeling relative distances to genomic landmarks in deep neural networks has not been addressed. Results Here we developed spline transformation, a neural network module based on splines to flexibly and robustly model distances. Modeling distances to various genomic landmarks with spline transformations significantly increased state-of-the-art prediction accuracy of in vivo RNA-binding protein binding sites for 120 out of 123 proteins. We also developed a deep neural network for human splice branchpoint based on spline transformations that outperformed the current best, already distance-based, machine learning model. Compared to piecewise linear transformation, as obtained by composition of rectified linear units, spline transformation yields higher prediction accuracy as well as faster and more robust training. As spline transformation can be applied to further quantities beyond distances, such as methylation or conservation, we foresee it as a versatile component in the genomics deep learning toolbox. Availability and implementation Spline transformation is implemented as a Keras layer in the CONCISE python package: https://github.com/gagneurlab/concise. Analysis code is available at https://github.com/gagneurlab/Manuscript_Avsec_Bioinformatics_2017. Contact avsec@in.tum.de or gagneur@in.tum.de Supplementary information Supplementary data are available at Bioinformatics online. PMID:29155928

Geomagnetic temporal change: 1903-1982 - A spline representation

NASA Technical Reports Server (NTRS)

Langel, R. A.; Kerridge, D. J.; Barraclough, D. R.; Malin, S. R. C.

1986-01-01

The secular variation of the earth's magnetic field is itself subject to temporal variations. These are investigated with the aid of the coefficients of a series of spherical harmonic models of secular variation deduced from data for the interval 1903-1982 from the worldwide network of magnetic observatories. For some studies it is convenient to approximate the time variation of the spherical harmonic coefficients with a smooth, continuous, function; for this a spline fitting is used. The phenomena that are investigated include periodicities, discontinuities, and correlation with the length of day. The numerical data presented will be of use for further investigations and for the synthesis of secular variation at any place and at any time within the interval of the data - they are not appropriate for temporal extrapolations.

Radial Splines Would Prevent Rotation Of Bearing Race

NASA Technical Reports Server (NTRS)

Kaplan, Ronald M.; Chokshi, Jaisukhlal V.

1993-01-01

Interlocking fine-pitch ribs and grooves formed on otherwise flat mating end faces of housing and outer race of rolling-element bearing to be mounted in housing, according to proposal. Splines bear large torque loads and impose minimal distortion on raceway.

A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations

DOE PAGES

Teichert, Gregory H.; Gunda, N. S. Harsha; Rudraraju, Shiva; ...

2016-12-18

Free energies play a central role in many descriptions of equilibrium and non-equilibrium properties of solids. Continuum partial differential equations (PDEs) of atomic transport, phase transformations and mechanics often rely on first and second derivatives of a free energy function. The stability, accuracy and robustness of numerical methods to solve these PDEs are sensitive to the particular functional representations of the free energy. In this communication we investigate the influence of different representations of thermodynamic data on phase field computations of diffusion and two-phase reactions in the solid state. First-principles statistical mechanics methods were used to generate realistic free energymore » data for HCP titanium with interstitially dissolved oxygen. While Redlich-Kister polynomials have formed the mainstay of thermodynamic descriptions of multi-component solids, they require high order terms to fit oscillations in chemical potentials around phase transitions. Here, we demonstrate that high fidelity fits to rapidly fluctuating free energy functions are obtained with spline functions. As a result, spline functions that are many degrees lower than Redlich-Kister polynomials provide equal or superior fits to chemical potential data and, when used in phase field computations, result in solution times approaching an order of magnitude speed up relative to the use of Redlich-Kister polynomials.« less

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2018-06-01

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

Diffusion Forecasting Model with Basis Functions from QR-Decomposition

NASA Astrophysics Data System (ADS)

Harlim, John; Yang, Haizhao

2017-12-01

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

Thin-plate spline analysis of mandibular growth.

PubMed

Franchi, L; Baccetti, T; McNamara, J A

2001-04-01

The analysis of mandibular growth changes around the pubertal spurt in humans has several important implications for the diagnosis and orthopedic correction of skeletal disharmonies. The purpose of this study was to evaluate mandibular shape and size growth changes around the pubertal spurt in a longitudinal sample of subjects with normal occlusion by means of an appropriate morphometric technique (thin-plate spline analysis). Ten mandibular landmarks were identified on lateral cephalograms of 29 subjects at 6 different developmental phases. The 6 phases corresponded to 6 different maturational stages in cervical vertebrae during accelerative and decelerative phases of the pubertal growth curve of the mandible. Differences in shape between average mandibular configurations at the 6 developmental stages were visualized by means of thin-plate spline analysis and subjected to permutation test. Centroid size was used as the measure of the geometric size of each mandibular specimen. Differences in size at the 6 developmental phases were tested statistically. The results of graphical analysis indicated a statistically significant change in mandibular shape only for the growth interval from stage 3 to stage 4 in cervical vertebral maturation. Significant increases in centroid size were found at all developmental phases, with evidence of a prepubertal minimum and of a pubertal maximum. The existence of a pubertal peak in human mandibular growth, therefore, is confirmed by thin-plate spline analysis. Significant morphological changes in the mandible during the growth interval from stage 3 to stage 4 in cervical vertebral maturation may be described as an upward-forward direction of condylar growth determining an overall "shrinkage" of the mandibular configuration along the measurement of total mandibular length. This biological mechanism is particularly efficient in compensating for major increments in mandibular size at the adolescent spurt.

Smoothing spline ANOVA frailty model for recurrent event data.

PubMed

Du, Pang; Jiang, Yihua; Wang, Yuedong

2011-12-01

Gap time hazard estimation is of particular interest in recurrent event data. This article proposes a fully nonparametric approach for estimating the gap time hazard. Smoothing spline analysis of variance (ANOVA) decompositions are used to model the log gap time hazard as a joint function of gap time and covariates, and general frailty is introduced to account for between-subject heterogeneity and within-subject correlation. We estimate the nonparametric gap time hazard function and parameters in the frailty distribution using a combination of the Newton-Raphson procedure, the stochastic approximation algorithm (SAA), and the Markov chain Monte Carlo (MCMC) method. The convergence of the algorithm is guaranteed by decreasing the step size of parameter update and/or increasing the MCMC sample size along iterations. Model selection procedure is also developed to identify negligible components in a functional ANOVA decomposition of the log gap time hazard. We evaluate the proposed methods with simulation studies and illustrate its use through the analysis of bladder tumor data. © 2011, The International Biometric Society.

Effect of coulomb spline on rotor dynamic response

NASA Technical Reports Server (NTRS)

Nataraj, C.; Nelson, H. D.; Arakere, N.

1985-01-01

A rigid rotor system coupled by a coulomb spline is modelled and analyzed by approximate analytical and numerical analytical methods. Expressions are derived for the variables of the resulting limit cycle and are shown to be quite accurate for a small departure from isotropy.

A Spline Regression Model for Latent Variables

ERIC Educational Resources Information Center

Harring, Jeffrey R.

2014-01-01

Spline (or piecewise) regression models have been used in the past to account for patterns in observed data that exhibit distinct phases. The changepoint or knot marking the shift from one phase to the other, in many applications, is an unknown parameter to be estimated. As an extension of this framework, this research considers modeling the…

Spline curve matching with sparse knot sets: applications to deformable shape detection and recognition

Treesearch

Sang-Mook Lee; A. Lynn Abbott; Neil A. Clark; Philip A. Araman

2003-01-01

Splines can be used to approximate noisy data with a few control points. This paper presents a new curve matching method for deformable shapes using two-dimensional splines. In contrast to the residual error criterion, which is based on relative locations of corresponding knot points such that is reliable primarily for dense point sets, we use deformation energy of...

Comparison of random regression models with Legendre polynomials and linear splines for production traits and somatic cell score of Canadian Holstein cows.

PubMed

Bohmanova, J; Miglior, F; Jamrozik, J; Misztal, I; Sullivan, P G

2008-09-01

A random regression model with both random and fixed regressions fitted by Legendre polynomials of order 4 was compared with 3 alternative models fitting linear splines with 4, 5, or 6 knots. The effects common for all models were a herd-test-date effect, fixed regressions on days in milk (DIM) nested within region-age-season of calving class, and random regressions for additive genetic and permanent environmental effects. Data were test-day milk, fat and protein yields, and SCS recorded from 5 to 365 DIM during the first 3 lactations of Canadian Holstein cows. A random sample of 50 herds consisting of 96,756 test-day records was generated to estimate variance components within a Bayesian framework via Gibbs sampling. Two sets of genetic evaluations were subsequently carried out to investigate performance of the 4 models. Models were compared by graphical inspection of variance functions, goodness of fit, error of prediction of breeding values, and stability of estimated breeding values. Models with splines gave lower estimates of variances at extremes of lactations than the model with Legendre polynomials. Differences among models in goodness of fit measured by percentages of squared bias, correlations between predicted and observed records, and residual variances were small. The deviance information criterion favored the spline model with 6 knots. Smaller error of prediction and higher stability of estimated breeding values were achieved by using spline models with 5 and 6 knots compared with the model with Legendre polynomials. In general, the spline model with 6 knots had the best overall performance based upon the considered model comparison criteria.

Detection and correction of laser induced breakdown spectroscopy spectral background based on spline interpolation method

NASA Astrophysics Data System (ADS)

Tan, Bing; Huang, Min; Zhu, Qibing; Guo, Ya; Qin, Jianwei

2017-12-01

Laser-induced breakdown spectroscopy (LIBS) is an analytical technique that has gained increasing attention because of many applications. The production of continuous background in LIBS is inevitable because of factors associated with laser energy, gate width, time delay, and experimental environment. The continuous background significantly influences the analysis of the spectrum. Researchers have proposed several background correction methods, such as polynomial fitting, Lorenz fitting and model-free methods. However, less of them apply these methods in the field of LIBS Technology, particularly in qualitative and quantitative analyses. This study proposes a method based on spline interpolation for detecting and estimating the continuous background spectrum according to its smooth property characteristic. Experiment on the background correction simulation indicated that, the spline interpolation method acquired the largest signal-to-background ratio (SBR) over polynomial fitting, Lorenz fitting and model-free method after background correction. These background correction methods all acquire larger SBR values than that acquired before background correction (The SBR value before background correction is 10.0992, whereas the SBR values after background correction by spline interpolation, polynomial fitting, Lorentz fitting, and model-free methods are 26.9576, 24.6828, 18.9770, and 25.6273 respectively). After adding random noise with different kinds of signal-to-noise ratio to the spectrum, spline interpolation method acquires large SBR value, whereas polynomial fitting and model-free method obtain low SBR values. All of the background correction methods exhibit improved quantitative results of Cu than those acquired before background correction (The linear correlation coefficient value before background correction is 0.9776. Moreover, the linear correlation coefficient values after background correction using spline interpolation, polynomial fitting, Lorentz

[Medical image elastic registration smoothed by unconstrained optimized thin-plate spline].

PubMed

Zhang, Yu; Li, Shuxiang; Chen, Wufan; Liu, Zhexing

2003-12-01

Elastic registration of medical image is an important subject in medical image processing. Previous work has concentrated on selecting the corresponding landmarks manually and then using thin-plate spline interpolating to gain the elastic transformation. However, the landmarks extraction is always prone to error, which will influence the registration results. Localizing the landmarks manually is also difficult and time-consuming. We the optimization theory to improve the thin-plate spline interpolation, and based on it, used an automatic method to extract the landmarks. Combining these two steps, we have proposed an automatic, exact and robust registration method and have gained satisfactory registration results.

Approximating a retarded-advanced differential equation that models human phonation

NASA Astrophysics Data System (ADS)

Teodoro, M. Filomena

2017-11-01

In [1, 2, 3] we have got the numerical solution of a linear mixed type functional differential equation (MTFDE) introduced initially in [4], considering the autonomous and non-autonomous case by collocation, least squares and finite element methods considering B-splines basis set. The present work introduces a numerical scheme using least squares method (LSM) and Gaussian basis functions to solve numerically a nonlinear mixed type equation with symmetric delay and advance which models human phonation. The preliminary results are promising. We obtain an accuracy comparable with the previous results.

Exploring functional data analysis and wavelet principal component analysis on ecstasy (MDMA) wastewater data.

PubMed

Salvatore, Stefania; Bramness, Jørgen G; Røislien, Jo

2016-07-12

Wastewater-based epidemiology (WBE) is a novel approach in drug use epidemiology which aims to monitor the extent of use of various drugs in a community. In this study, we investigate functional principal component analysis (FPCA) as a tool for analysing WBE data and compare it to traditional principal component analysis (PCA) and to wavelet principal component analysis (WPCA) which is more flexible temporally. We analysed temporal wastewater data from 42 European cities collected daily over one week in March 2013. The main temporal features of ecstasy (MDMA) were extracted using FPCA using both Fourier and B-spline basis functions with three different smoothing parameters, along with PCA and WPCA with different mother wavelets and shrinkage rules. The stability of FPCA was explored through bootstrapping and analysis of sensitivity to missing data. The first three principal components (PCs), functional principal components (FPCs) and wavelet principal components (WPCs) explained 87.5-99.6 % of the temporal variation between cities, depending on the choice of basis and smoothing. The extracted temporal features from PCA, FPCA and WPCA were consistent. FPCA using Fourier basis and common-optimal smoothing was the most stable and least sensitive to missing data. FPCA is a flexible and analytically tractable method for analysing temporal changes in wastewater data, and is robust to missing data. WPCA did not reveal any rapid temporal changes in the data not captured by FPCA. Overall the results suggest FPCA with Fourier basis functions and common-optimal smoothing parameter as the most accurate approach when analysing WBE data.

An image warping technique for rodent brain MRI-histology registration based on thin-plate splines with landmark optimization

NASA Astrophysics Data System (ADS)

Liu, Yutong; Uberti, Mariano; Dou, Huanyu; Mosley, R. Lee; Gendelman, Howard E.; Boska, Michael D.

2009-02-01

Coregistration of in vivo magnetic resonance imaging (MRI) with histology provides validation of disease biomarker and pathobiology studies. Although thin-plate splines are widely used in such image registration, point landmark selection is error prone and often time-consuming. We present a technique to optimize landmark selection for thin-plate splines and demonstrate its usefulness in warping rodent brain MRI to histological sections. In this technique, contours are drawn on the corresponding MRI slices and images of histological sections. The landmarks are extracted from the contours by equal spacing then optimized by minimizing a cost function consisting of the landmark displacement and contour curvature. The technique was validated using simulation data and brain MRI-histology coregistration in a murine model of HIV-1 encephalitis. Registration error was quantified by calculating target registration error (TRE). The TRE of approximately 8 pixels for 20-80 landmarks without optimization was stable at different landmark numbers. The optimized results were more accurate at low landmark numbers (TRE of approximately 2 pixels for 50 landmarks), while the accuracy decreased (TRE approximately 8 pixels for larger numbers of landmarks (70- 80). The results demonstrated that registration accuracy decreases with the increasing landmark numbers offering more confidence in MRI-histology registration using thin-plate splines.

Meshless Local Petrov-Galerkin Euler-Bernoulli Beam Problems: A Radial Basis Function Approach

NASA Technical Reports Server (NTRS)

Raju, I. S.; Phillips, D. R.; Krishnamurthy, T.

2003-01-01

A radial basis function implementation of the meshless local Petrov-Galerkin (MLPG) method is presented to study Euler-Bernoulli beam problems. Radial basis functions, rather than generalized moving least squares (GMLS) interpolations, are used to develop the trial functions. This choice yields a computationally simpler method as fewer matrix inversions and multiplications are required than when GMLS interpolations are used. Test functions are chosen as simple weight functions as in the conventional MLPG method. Compactly and noncompactly supported radial basis functions are considered. The non-compactly supported cubic radial basis function is found to perform very well. Results obtained from the radial basis MLPG method are comparable to those obtained using the conventional MLPG method for mixed boundary value problems and problems with discontinuous loading conditions.

Random regression models using different functions to model test-day milk yield of Brazilian Holstein cows.

PubMed

Bignardi, A B; El Faro, L; Torres Júnior, R A A; Cardoso, V L; Machado, P F; Albuquerque, L G

2011-10-31

We analyzed 152,145 test-day records from 7317 first lactations of Holstein cows recorded from 1995 to 2003. Our objective was to model variations in test-day milk yield during the first lactation of Holstein cows by random regression model (RRM), using various functions in order to obtain adequate and parsimonious models for the estimation of genetic parameters. Test-day milk yields were grouped into weekly classes of days in milk, ranging from 1 to 44 weeks. The contemporary groups were defined as herd-test-day. The analyses were performed using a single-trait RRM, including the direct additive, permanent environmental and residual random effects. In addition, contemporary group and linear and quadratic effects of the age of cow at calving were included as fixed effects. The mean trend of milk yield was modeled with a fourth-order orthogonal Legendre polynomial. The additive genetic and permanent environmental covariance functions were estimated by random regression on two parametric functions, Ali and Schaeffer and Wilmink, and on B-spline functions of days in milk. The covariance components and the genetic parameters were estimated by the restricted maximum likelihood method. Results from RRM parametric and B-spline functions were compared to RRM on Legendre polynomials and with a multi-trait analysis, using the same data set. Heritability estimates presented similar trends during mid-lactation (13 to 31 weeks) and between week 37 and the end of lactation, for all RRM. Heritabilities obtained by multi-trait analysis were of a lower magnitude than those estimated by RRM. The RRMs with a higher number of parameters were more useful to describe the genetic variation of test-day milk yield throughout the lactation. RRM using B-spline and Legendre polynomials as base functions appears to be the most adequate to describe the covariance structure of the data.

Backfitting in Smoothing Spline Anova, with Application to Historical Global Temperature Data

NASA Astrophysics Data System (ADS)

Luo, Zhen

In the attempt to estimate the temperature history of the earth using the surface observations, various biases can exist. An important source of bias is the incompleteness of sampling over both time and space. There have been a few methods proposed to deal with this problem. Although they can correct some biases resulting from incomplete sampling, they have ignored some other significant biases. In this dissertation, a smoothing spline ANOVA approach which is a multivariate function estimation method is proposed to deal simultaneously with various biases resulting from incomplete sampling. Besides that, an advantage of this method is that we can get various components of the estimated temperature history with a limited amount of information stored. This method can also be used for detecting erroneous observations in the data base. The method is illustrated through an example of modeling winter surface air temperature as a function of year and location. Extension to more complicated models are discussed. The linear system associated with the smoothing spline ANOVA estimates is too large to be solved by full matrix decomposition methods. A computational procedure combining the backfitting (Gauss-Seidel) algorithm and the iterative imputation algorithm is proposed. This procedure takes advantage of the tensor product structure in the data to make the computation feasible in an environment of limited memory. Various related issues are discussed, e.g., the computation of confidence intervals and the techniques to speed up the convergence of the backfitting algorithm such as collapsing and successive over-relaxation.

A Cubic Radial Basis Function in the MLPG Method for Beam Problems

NASA Technical Reports Server (NTRS)

Raju, I. S.; Phillips, D. R.

2002-01-01

A non-compactly supported cubic radial basis function implementation of the MLPG method for beam problems is presented. The evaluation of the derivatives of the shape functions obtained from the radial basis function interpolation is much simpler than the evaluation of the moving least squares shape function derivatives. The radial basis MLPG yields results as accurate or better than those obtained by the conventional MLPG method for problems with discontinuous and other complex loading conditions.

Variable Selection for Nonparametric Quantile Regression via Smoothing Spline AN OVA

PubMed Central

Lin, Chen-Yen; Bondell, Howard; Zhang, Hao Helen; Zou, Hui

2014-01-01

Quantile regression provides a more thorough view of the effect of covariates on a response. Nonparametric quantile regression has become a viable alternative to avoid restrictive parametric assumption. The problem of variable selection for quantile regression is challenging, since important variables can influence various quantiles in different ways. We tackle the problem via regularization in the context of smoothing spline ANOVA models. The proposed sparse nonparametric quantile regression (SNQR) can identify important variables and provide flexible estimates for quantiles. Our numerical study suggests the promising performance of the new procedure in variable selection and function estimation. Supplementary materials for this article are available online. PMID:24554792

Gaussian basis functions for highly oscillatory scattering wavefunctions

NASA Astrophysics Data System (ADS)

Mant, B. P.; Law, M. M.

2018-04-01

We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.

Modeling multivariate time series on manifolds with skew radial basis functions.

PubMed

Jamshidi, Arta A; Kirby, Michael J

2011-01-01

We present an approach for constructing nonlinear empirical mappings from high-dimensional domains to multivariate ranges. We employ radial basis functions and skew radial basis functions for constructing a model using data that are potentially scattered or sparse. The algorithm progresses iteratively, adding a new function at each step to refine the model. The placement of the functions is driven by a statistical hypothesis test that accounts for correlation in the multivariate range variables. The test is applied on training and validation data and reveals nonstatistical or geometric structure when it fails. At each step, the added function is fit to data contained in a spatiotemporally defined local region to determine the parameters--in particular, the scale of the local model. The scale of the function is determined by the zero crossings of the autocorrelation function of the residuals. The model parameters and the number of basis functions are determined automatically from the given data, and there is no need to initialize any ad hoc parameters save for the selection of the skew radial basis functions. Compactly supported skew radial basis functions are employed to improve model accuracy, order, and convergence properties. The extension of the algorithm to higher-dimensional ranges produces reduced-order models by exploiting the existence of correlation in the range variable data. Structure is tested not just in a single time series but between all pairs of time series. We illustrate the new methodologies using several illustrative problems, including modeling data on manifolds and the prediction of chaotic time series.

Analysis of harmonic spline gravity models for Venus and Mars

NASA Technical Reports Server (NTRS)

Bowin, Carl

1986-01-01

Methodology utilizing harmonic splines for determining the true gravity field from Line-Of-Sight (LOS) acceleration data from planetary spacecraft missions was tested. As is well known, the LOS data incorporate errors in the zero reference level that appear to be inherent in the processing procedure used to obtain the LOS vectors. The proposed method offers a solution to this problem. The harmonic spline program was converted from the VAX 11/780 to the Ridge 32C computer. The problem with the matrix inversion routine that improved inversion of the data matrices used in the Optimum Estimate program for global Earth studies was solved. The problem of obtaining a successful matrix inversion for a single rev supplemented by data for the two adjacent revs still remains.

Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism

NASA Astrophysics Data System (ADS)

Alam, Aftab; Khan, Suffian N.; Smirnov, A. V.; Nicholson, D. M.; Johnson, Duane D.

2014-11-01

The Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an efficient site-centered, electronic-structure technique for addressing an assembly of N scatterers. Wave functions are expanded in a spherical-wave basis on each scattering center and indexed up to a maximum orbital and azimuthal number Lmax=(l,mmax), while scattering matrices, which determine spectral properties, are truncated at Lt r=(l,mt r) where phase shifts δl >ltr are negligible. Historically, Lmax is set equal to Lt r, which is correct for large enough Lmax but not computationally expedient; a better procedure retains higher-order (free-electron and single-site) contributions for Lmax>Lt r with δl >ltr set to zero [X.-G. Zhang and W. H. Butler, Phys. Rev. B 46, 7433 (1992), 10.1103/PhysRevB.46.7433]. We present a numerically efficient and accurate augmented-KKR Green's function formalism that solves the KKR equations by exact matrix inversion [R3 process with rank N (ltr+1 ) 2 ] and includes higher-L contributions via linear algebra [R2 process with rank N (lmax+1) 2 ]. The augmented-KKR approach yields properly normalized wave functions, numerically cheaper basis-set convergence, and a total charge density and electron count that agrees with Lloyd's formula. We apply our formalism to fcc Cu, bcc Fe, and L 1 0 CoPt and present the numerical results for accuracy and for the convergence of the total energies, Fermi energies, and magnetic moments versus Lmax for a given Lt r.

The effect of diffuse basis functions on valence bond structural weights

NASA Astrophysics Data System (ADS)

Galbraith, John Morrison; James, Andrew M.; Nemes, Coleen T.

2014-03-01

Structural weights and bond dissociation energies have been determined for H-F, H-X, and F-X molecules (-X = -OH, -NH2, and -CH3) at the valence bond self-consistent field (VBSCF) and breathing orbital valence bond (BOVB) levels of theory with the aug-cc-pVDZ and 6-31++G(d,p) basis sets. At the BOVB level, the aug-cc-pVDZ basis set yields a counterintuitive ordering of ionic structural weights when the initial heavy atom s-type basis functions are included. For H-F, H-OH, and F-X, the ordering follows chemical intuition when these basis functions are not included. These counterintuitive weights are shown to be a result of the diffuse polarisation function on one VB fragment being spatially located, in part, on the other VB fragment. Except in the case of F-CH3, this problem is corrected with the 6-31++G(d,p) basis set. The initial heavy atom s-type functions are shown to make an important contribution to the VB orbitals and bond dissociation energies and, therefore, should not be excluded. It is recommended to not use diffuse basis sets in valence bond calculations unless absolutely necessary. If diffuse basis sets are needed, the 6-31++G(d,p) basis set should be used with caution and the structural weights checked against VBSCF values which have been shown to follow the expected ordering in all cases.

A method for fitting regression splines with varying polynomial order in the linear mixed model.

PubMed

Edwards, Lloyd J; Stewart, Paul W; MacDougall, James E; Helms, Ronald W

2006-02-15

The linear mixed model has become a widely used tool for longitudinal analysis of continuous variables. The use of regression splines in these models offers the analyst additional flexibility in the formulation of descriptive analyses, exploratory analyses and hypothesis-driven confirmatory analyses. We propose a method for fitting piecewise polynomial regression splines with varying polynomial order in the fixed effects and/or random effects of the linear mixed model. The polynomial segments are explicitly constrained by side conditions for continuity and some smoothness at the points where they join. By using a reparameterization of this explicitly constrained linear mixed model, an implicitly constrained linear mixed model is constructed that simplifies implementation of fixed-knot regression splines. The proposed approach is relatively simple, handles splines in one variable or multiple variables, and can be easily programmed using existing commercial software such as SAS or S-plus. The method is illustrated using two examples: an analysis of longitudinal viral load data from a study of subjects with acute HIV-1 infection and an analysis of 24-hour ambulatory blood pressure profiles.

Molecular Basis of the Binding of YAP Transcriptional Regulator to the ErbB4 Receptor Tyrosine Kinase

PubMed Central

Schuchardt, Brett J.; Bhat, Vikas; Mikles, David C.; McDonald, Caleb B.; Sudol, Marius; Farooq, Amjad

2014-01-01

The newly discovered transactivation function of ErbB4 receptor tyrosine kinase is believed to be mediated by virtue of the ability of its proteolytically-cleaved intracellular domain (ICD) to physically associate with YAP2 transcriptional regulator. In an effort to unearth the molecular basis of YAP2-ErbB4 interaction, we have conducted a detailed biophysical analysis of the binding of WW domains of YAP2 to PPXY motifs located within the ICD of ErbB4. Our data show that the WW1 domain of YAP2 binds to PPXY motifs within the ICD in a differential manner and that this behavior is by and large replicated by the WW2 domain. Remarkably, while both WW domains absolutely require the integrity of the PPXY consensus sequence, non-consensus residues within and flanking this motif do not appear to be critical for binding. In spite of this shared mode of binding, the WW domains of YAP2 display distinct conformational dynamics in complex with PPXY motifs derived from ErbB4. Collectively, our study lends new insights into the molecular basis of a key protein-protein interaction involved in a diverse array of cellular processes. PMID:24472438

Simultaneous Inference For The Mean Function Based on Dense Functional Data

PubMed Central

Cao, Guanqun; Yang, Lijian; Todem, David

2012-01-01

A polynomial spline estimator is proposed for the mean function of dense functional data together with a simultaneous confidence band which is asymptotically correct. In addition, the spline estimator and its accompanying confidence band enjoy oracle efficiency in the sense that they are asymptotically the same as if all random trajectories are observed entirely and without errors. The confidence band is also extended to the difference of mean functions of two populations of functional data. Simulation experiments provide strong evidence that corroborates the asymptotic theory while computing is efficient. The confidence band procedure is illustrated by analyzing the near infrared spectroscopy data. PMID:22665964

Distributed wavefront reconstruction with SABRE for real-time large scale adaptive optics control

NASA Astrophysics Data System (ADS)

Brunner, Elisabeth; de Visser, Cornelis C.; Verhaegen, Michel

2014-08-01

We present advances on Spline based ABerration REconstruction (SABRE) from (Shack-)Hartmann (SH) wavefront measurements for large-scale adaptive optics systems. SABRE locally models the wavefront with simplex B-spline basis functions on triangular partitions which are defined on the SH subaperture array. This approach allows high accuracy through the possible use of nonlinear basis functions and great adaptability to any wavefront sensor and pupil geometry. The main contribution of this paper is a distributed wavefront reconstruction method, D-SABRE, which is a 2 stage procedure based on decomposing the sensor domain into sub-domains each supporting a local SABRE model. D-SABRE greatly decreases the computational complexity of the method and removes the need for centralized reconstruction while obtaining a reconstruction accuracy for simulated E-ELT turbulences within 1% of the global method's accuracy. Further, a generalization of the methodology is proposed making direct use of SH intensity measurements which leads to an improved accuracy of the reconstruction compared to centroid algorithms using spatial gradients.

Interaction Models for Functional Regression.

PubMed

Usset, Joseph; Staicu, Ana-Maria; Maity, Arnab

2016-02-01

A functional regression model with a scalar response and multiple functional predictors is proposed that accommodates two-way interactions in addition to their main effects. The proposed estimation procedure models the main effects using penalized regression splines, and the interaction effect by a tensor product basis. Extensions to generalized linear models and data observed on sparse grids or with measurement error are presented. A hypothesis testing procedure for the functional interaction effect is described. The proposed method can be easily implemented through existing software. Numerical studies show that fitting an additive model in the presence of interaction leads to both poor estimation performance and lost prediction power, while fitting an interaction model where there is in fact no interaction leads to negligible losses. The methodology is illustrated on the AneuRisk65 study data.

Applying Multivariate Adaptive Splines to Identify Genes With Expressions Varying After Diagnosis in Microarray Experiments.

PubMed

Duan, Fenghai; Xu, Ye

2017-01-01

To analyze a microarray experiment to identify the genes with expressions varying after the diagnosis of breast cancer. A total of 44 928 probe sets in an Affymetrix microarray data publicly available on Gene Expression Omnibus from 249 patients with breast cancer were analyzed by the nonparametric multivariate adaptive splines. Then, the identified genes with turning points were grouped by K-means clustering, and their network relationship was subsequently analyzed by the Ingenuity Pathway Analysis. In total, 1640 probe sets (genes) were reliably identified to have turning points along with the age at diagnosis in their expression profiling, of which 927 expressed lower after turning points and 713 expressed higher after the turning points. K-means clustered them into 3 groups with turning points centering at 54, 62.5, and 72, respectively. The pathway analysis showed that the identified genes were actively involved in various cancer-related functions or networks. In this article, we applied the nonparametric multivariate adaptive splines method to a publicly available gene expression data and successfully identified genes with expressions varying before and after breast cancer diagnosis.

Multi-channel dynamics in high harmonic generation of aligned CO2: ab initio analysis with time-dependent B-spline algebraic diagrammatic construction.

PubMed

Ruberti, M; Decleva, P; Averbukh, V

2018-03-28

Here we present a fully ab initio study of the high-order harmonic generation (HHG) spectrum of aligned CO 2 molecules. The calculations have been performed by using the molecular time-dependent (TD) B-spline algebraic diagrammatic construction (ADC) method. We quantitatively study how the sub-cycle laser-driven multi-channel dynamics, as reflected in the position of the dynamical minimum in the HHG spectrum, is affected by the full inclusion of both correlation-driven and laser-driven dipole interchannel couplings. We calculate channel-resolved spectral intensities as well as the phase differences between contributions of the different ionization-recombination channels to the total HHG spectrum. Our results show that electron correlation effectively controls the relative contributions of the different channels to the total HHG spectrum, leading to the opening of the new ones (1 2 Π u , 1 2 Σ), previously disregarded for the aligned molecular setup. We conclude that inclusion of many-electron effects into the theoretical interpretation of molecular HHG spectra is essential in order to correctly extract ultrafast electron dynamics using HHG spectroscopy.

Ship Detection and Measurement of Ship Motion by Multi-Aperture Synthetic Aperture Radar

DTIC Science & Technology

2014-06-01

Reconstructed periodic components of the Doppler histories shown in Fig. 27, (b) splined harmonic component amplitudes as a function of range...78 Figure 42: (a) Reconstructed periodic components of the Doppler histories shown in Figure 30, (b) Splined amplitudes of the...Figure 29 (b) Splined amplitudes of the harmonic components. ............................................ 79 Figure 44: Ship focusing by standard

Genetic evaluation of egg production curve in Thai native chickens by random regression and spline models.

PubMed

Mookprom, S; Boonkum, W; Kunhareang, S; Siripanya, S; Duangjinda, M

2017-02-01

The objective of this research is to investigate appropriate random regression models with various covariance functions, for the genetic evaluation of test-day egg production. Data included 7,884 monthly egg production records from 657 Thai native chickens (Pradu Hang Dam) that were obtained during the first to sixth generation and were born during 2007 to 2014 at the Research and Development Network Center for Animal Breeding (Native Chickens), Khon Kaen University. Average annual and monthly egg productions were 117 ± 41 and 10.20 ± 6.40 eggs, respectively. Nine random regression models were analyzed using the Wilmink function (WM), Koops and Grossman function (KG), Legendre polynomials functions with second, third, and fourth orders (LG2, LG3, LG4), and spline functions with 4, 5, 6, and 8 knots (SP4, SP5, SP6, and SP8). All covariance functions were nested within the same additive genetic and permanent environmental random effects, and the variance components were estimated by Restricted Maximum Likelihood (REML). In model comparisons, mean square error (MSE) and the coefficient of detemination (R 2 ) calculated the goodness of fit; and the correlation between observed and predicted values [Formula: see text] was used to calculate the cross-validated predictive abilities. We found that the covariance functions of SP5, SP6, and SP8 proved appropriate for the genetic evaluation of the egg production curves for Thai native chickens. The estimated heritability of monthly egg production ranged from 0.07 to 0.39, and the highest heritability was found during the first to third months of egg production. In conclusion, the spline functions within monthly egg production can be applied to breeding programs for the improvement of both egg number and persistence of egg production. © 2016 Poultry Science Association Inc.

A T Matrix Method Based upon Scalar Basis Functions

NASA Technical Reports Server (NTRS)

Mackowski, D.W.; Kahnert, F. M.; Mishchenko, Michael I.

2013-01-01

A surface integral formulation is developed for the T matrix of a homogenous and isotropic particle of arbitrary shape, which employs scalar basis functions represented by the translation matrix elements of the vector spherical wave functions. The formulation begins with the volume integral equation for scattering by the particle, which is transformed so that the vector and dyadic components in the equation are replaced with associated dipole and multipole level scalar harmonic wave functions. The approach leads to a volume integral formulation for the T matrix, which can be extended, by use of Green's identities, to the surface integral formulation. The result is shown to be equivalent to the traditional surface integral formulas based on the VSWF basis.

Polynomials to model the growth of young bulls in performance tests.

PubMed

Scalez, D C B; Fragomeni, B O; Passafaro, T L; Pereira, I G; Toral, F L B

2014-03-01

The use of polynomial functions to describe the average growth trajectory and covariance functions of Nellore and MA (21/32 Charolais+11/32 Nellore) young bulls in performance tests was studied. The average growth trajectories and additive genetic and permanent environmental covariance functions were fit with Legendre (linear through quintic) and quadratic B-spline (with two to four intervals) polynomials. In general, the Legendre and quadratic B-spline models that included more covariance parameters provided a better fit with the data. When comparing models with the same number of parameters, the quadratic B-spline provided a better fit than the Legendre polynomials. The quadratic B-spline with four intervals provided the best fit for the Nellore and MA groups. The fitting of random regression models with different types of polynomials (Legendre polynomials or B-spline) affected neither the genetic parameters estimates nor the ranking of the Nellore young bulls. However, fitting different type of polynomials affected the genetic parameters estimates and the ranking of the MA young bulls. Parsimonious Legendre or quadratic B-spline models could be used for genetic evaluation of body weight of Nellore young bulls in performance tests, whereas these parsimonious models were less efficient for animals of the MA genetic group owing to limited data at the extreme ages.

Structure and function of the UV-B photoreceptor UVR8.

PubMed

Jenkins, Gareth I

2014-12-01

UVR8 is a UV-B photoreceptor that employs specific tryptophans in its primary sequence as chromophores in photoreception. UV-B absorption causes dissociation of the dimeric photoreceptor by neutralizing interactions between monomers. The monomeric form initiates signalling through interaction with the COP1 protein, leading to transcriptional responses. This article discusses the structural basis of UVR8 function, highlighting recent research on the mechanism of photoreception and on interactions with other proteins involved in signalling and regulation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Molecular Basis of Differential B-Pentamer Stability of Shiga Toxins 1 and 2

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

Conrady, Deborah G.; Flagler, Michael J.; Friedmann, David R.

2012-06-27

Escherichia coli strain O157:H7 is a major cause of food poisoning that can result in severe diarrhea and, in some cases, renal failure. The pathogenesis of E. coli O157:H7 is in large part due to the production of Shiga toxin (Stx), an AB{sub 5} toxin that consists of a ribosomal RNA-cleaving A-subunit surrounded by a pentamer of receptor-binding B subunits. There are two major isoforms, Stx1 and Stx2, which differ dramatically in potency despite having 57% sequence identity. Animal studies and epidemiological studies show Stx2 is associated with more severe disease. Although the molecular basis of this difference is unknown,more » data suggest it is associated with the B-subunit. Mass spectrometry studies have suggested differential B-pentamer stability between Stx1 and Stx2. We have examined the relative stability of the B-pentamers in solution. Analytical ultracentrifugation using purified B-subunits demonstrates that Stx2B, the more deadly isoform, shows decreased pentamer stability compared to Stx1B (EC{sub 50} = 2.3 {micro}M vs. EC{sub 50} = 0.043 {micro}M for Stx1B). X-ray crystal structures of Stx1B and Stx2B identified a glutamine in Stx2 (versus leucine in Stx1) within the otherwise strongly hydrophobic interface between B-subunits. Interchanging these residues switches the stability phenotype of the B-pentamers of Stx1 and Stx2, as demonstrated by analytical ultracentrifugation and circular dichroism. These studies demonstrate a profound difference in stability of the B-pentamers in Stx1 and Stx2, illustrate the mechanistic basis for this differential stability, and provide novel reagents to test the basis for differential pathogenicity of these toxins.« less

Radial basis function neural networks applied to NASA SSME data

NASA Technical Reports Server (NTRS)

Wheeler, Kevin R.; Dhawan, Atam P.

1993-01-01

This paper presents a brief report on the application of Radial Basis Function Neural Networks (RBFNN) to the prediction of sensor values for fault detection and diagnosis of the Space Shuttle's Main Engines (SSME). The location of the Radial Basis Function (RBF) node centers was determined with a K-means clustering algorithm. A neighborhood operation about these center points was used to determine the variances of the individual processing notes.

Spatiotemporal reconstruction of list-mode PET data.

PubMed

Nichols, Thomas E; Qi, Jinyi; Asma, Evren; Leahy, Richard M

2002-04-01

We describe a method for computing a continuous time estimate of tracer density using list-mode positron emission tomography data. The rate function in each voxel is modeled as an inhomogeneous Poisson process whose rate function can be represented using a cubic B-spline basis. The rate functions are estimated by maximizing the likelihood of the arrival times of detected photon pairs over the control vertices of the spline, modified by quadratic spatial and temporal smoothness penalties and a penalty term to enforce nonnegativity. Randoms rate functions are estimated by assuming independence between the spatial and temporal randoms distributions. Similarly, scatter rate functions are estimated by assuming spatiotemporal independence and that the temporal distribution of the scatter is proportional to the temporal distribution of the trues. A quantitative evaluation was performed using simulated data and the method is also demonstrated in a human study using 11C-raclopride.

Solutions to Kuessner's integral equation in unsteady flow using local basis functions

NASA Technical Reports Server (NTRS)

Fromme, J. A.; Halstead, D. W.

1975-01-01

The computational procedure and numerical results are presented for a new method to solve Kuessner's integral equation in the case of subsonic compressible flow about harmonically oscillating planar surfaces with controls. Kuessner's equation is a linear transformation from pressure to normalwash. The unknown pressure is expanded in terms of prescribed basis functions and the unknown basis function coefficients are determined in the usual manner by satisfying the given normalwash distribution either collocationally or in the complex least squares sense. The present method of solution differs from previous ones in that the basis functions are defined in a continuous fashion over a relatively small portion of the aerodynamic surface and are zero elsewhere. This method, termed the local basis function method, combines the smoothness and accuracy of distribution methods with the simplicity and versatility of panel methods. Predictions by the local basis function method for unsteady flow are shown to be in excellent agreement with other methods. Also, potential improvements to the present method and extensions to more general classes of solutions are discussed.

Effects of early activator treatment in patients with class II malocclusion evaluated by thin-plate spline analysis.

PubMed

Lux, C J; Rübel, J; Starke, J; Conradt, C; Stellzig, P A; Komposch, P G

2001-04-01

The aim of the present longitudinal cephalometric study was to evaluate the dentofacial shape changes induced by activator treatment between 9.5 and 11.5 years in male Class II patients. For a rigorous morphometric analysis, a thin-plate spline analysis was performed to assess and visualize dental and skeletal craniofacial changes. Twenty male patients with a skeletal Class II malrelationship and increased overjet who had been treated at the University of Heidelberg with a modified Andresen-Häupl-type activator were compared with a control group of 15 untreated male subjects of the Belfast Growth Study. The shape changes for each group were visualized on thin-plate splines with one spline comprising all 13 landmarks to show all the craniofacial shape changes, including skeletal and dento-alveolar reactions, and a second spline based on 7 landmarks to visualize only the skeletal changes. In the activator group, the grid deformation of the total spline pointed to a strong activator-induced reduction of the overjet that was caused both by a tipping of the incisors and by a moderation of sagittal discrepancies, particularly a slight advancement of the mandible. In contrast with this, in the control group, only slight localized shape changes could be detected. Both in the 7- and 13-landmark configurations, the shape changes between the groups differed significantly at P < .001. In the present study, the morphometric approach of thin-plate spline analysis turned out to be a useful morphometric supplement to conventional cephalometrics because the complex patterns of shape change could be suggestively visualized.

Modelling subject-specific childhood growth using linear mixed-effect models with cubic regression splines.

PubMed

Grajeda, Laura M; Ivanescu, Andrada; Saito, Mayuko; Crainiceanu, Ciprian; Jaganath, Devan; Gilman, Robert H; Crabtree, Jean E; Kelleher, Dermott; Cabrera, Lilia; Cama, Vitaliano; Checkley, William

2016-01-01

Childhood growth is a cornerstone of pediatric research. Statistical models need to consider individual trajectories to adequately describe growth outcomes. Specifically, well-defined longitudinal models are essential to characterize both population and subject-specific growth. Linear mixed-effect models with cubic regression splines can account for the nonlinearity of growth curves and provide reasonable estimators of population and subject-specific growth, velocity and acceleration. We provide a stepwise approach that builds from simple to complex models, and account for the intrinsic complexity of the data. We start with standard cubic splines regression models and build up to a model that includes subject-specific random intercepts and slopes and residual autocorrelation. We then compared cubic regression splines vis-à-vis linear piecewise splines, and with varying number of knots and positions. Statistical code is provided to ensure reproducibility and improve dissemination of methods. Models are applied to longitudinal height measurements in a cohort of 215 Peruvian children followed from birth until their fourth year of life. Unexplained variability, as measured by the variance of the regression model, was reduced from 7.34 when using ordinary least squares to 0.81 (p < 0.001) when using a linear mixed-effect models with random slopes and a first order continuous autoregressive error term. There was substantial heterogeneity in both the intercept (p < 0.001) and slopes (p < 0.001) of the individual growth trajectories. We also identified important serial correlation within the structure of the data (ρ = 0.66; 95 % CI 0.64 to 0.68; p < 0.001), which we modeled with a first order continuous autoregressive error term as evidenced by the variogram of the residuals and by a lack of association among residuals. The final model provides a parametric linear regression equation for both estimation and prediction of population- and individual-level growth

Interactive deformation registration of endorectal prostate MRI using ITK thin plate splines.

PubMed

Cheung, M Rex; Krishnan, Karthik

2009-03-01

Magnetic resonance imaging with an endorectal coil allows high-resolution imaging of prostate cancer and the surrounding normal organs. These anatomic details can be used to direct radiotherapy. However, organ deformation introduced by the endorectal coil makes it difficult to register magnetic resonance images for treatment planning. In this study, plug-ins for the volume visualization software VolView were implemented on the basis of algorithms from the National Library of Medicine's Insight Segmentation and Registration Toolkit (ITK). Magnetic resonance images of a phantom simulating human pelvic structures were obtained with and without the endorectal coil balloon inflated. The prostate not deformed by the endorectal balloon was registered to the deformed prostate using an ITK thin plate spline (TPS). This plug-in allows the use of crop planes to limit the deformable registration in the region of interest around the prostate. These crop planes restricted the support of the TPS to the area around the prostate, where most of the deformation occurred. The region outside the crop planes was anchored by grid points. The TPS was more accurate in registering the local deformation of the prostate compared with a TPS variant, the elastic body spline. The TPS was also applied to register an in vivo T(2)-weighted endorectal magnetic resonance image. The intraprostatic tumor was accurately registered. This could potentially guide the boosting of intraprostatic targets. The source and target landmarks were placed graphically. This TPS plug-in allows the registration to be undone. The landmarks could be added, removed, and adjusted in real time and in three dimensions between repeated registrations. This interactive TPS plug-in allows a user to obtain a high level of accuracy satisfactory to a specific application efficiently. Because it is open-source software, the imaging community will be able to validate and improve the algorithm.

Molecular basis of the binding of YAP transcriptional regulator to the ErbB4 receptor tyrosine kinase.

PubMed

Schuchardt, Brett J; Bhat, Vikas; Mikles, David C; McDonald, Caleb B; Sudol, Marius; Farooq, Amjad

2014-06-01

The newly discovered transactivation function of ErbB4 receptor tyrosine kinase is believed to be mediated by virtue of the ability of its proteolytically-cleaved intracellular domain (ICD) to physically associate with YAP2 transcriptional regulator. In an effort to unearth the molecular basis of YAP2-ErbB4 interaction, we have conducted a detailed biophysical analysis of the binding of WW domains of YAP2 to PPXY motifs located within the ICD of ErbB4. Our data show that the WW1 domain of YAP2 binds to PPXY motifs within the ICD in a differential manner and that this behavior is by and large replicated by the WW2 domain. Remarkably, while both WW domains absolutely require the integrity of the PPXY consensus sequence, non-consensus residues within and flanking this motif do not appear to be critical for binding. In spite of this shared mode of binding, the WW domains of YAP2 display distinct conformational dynamics in complex with PPXY motifs derived from ErbB4. Collectively, our study lends new insights into the molecular basis of a key protein-protein interaction involved in a diverse array of cellular processes. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

On using smoothing spline and residual correction to fuse rain gauge observations and remote sensing data

NASA Astrophysics Data System (ADS)

Huang, Chengcheng; Zheng, Xiaogu; Tait, Andrew; Dai, Yongjiu; Yang, Chi; Chen, Zhuoqi; Li, Tao; Wang, Zhonglei

2014-01-01

Partial thin-plate smoothing spline model is used to construct the trend surface.Correction of the spline estimated trend surface is often necessary in practice.Cressman weight is modified and applied in residual correction.The modified Cressman weight performs better than Cressman weight.A method for estimating the error covariance matrix of gridded field is provided.

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

NASA Astrophysics Data System (ADS)

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

2016-05-01

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

The Design and Characterization of Wideband Spline-profiled Feedhorns for Advanced Actpol

NASA Technical Reports Server (NTRS)

Simon, Sara M.; Austermann, Jason; Beall, James A.; Choi, Steve K.; Coughlin, Kevin P.; Duff, Shannon M.; Gallardo, Patricio A.; Henderson, Shawn W.; Hills, Felicity B.; Ho, Shuay-Pwu Patty;

Demonstration Advanced Avionics System (DAAS) functional description. [Cessna 402B aircraft

NASA Technical Reports Server (NTRS)

1980-01-01

A comprehensive set of general aviation avionics were defined for integration into an advanced hardware mechanization for demonstration in a Cessna 402B aircraft. Block diagrams are shown and system and computer architecture as well as significant hardware elements are described. The multifunction integrated data control center and electronic horizontal situation indicator are discussed. The functions that the DAAS will perform are examined. This function definition is the basis for the DAAS hardware and software design.

Satisfiability of logic programming based on radial basis function neural networks

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

Hamadneh, Nawaf; Sathasivam, Saratha; Tilahun, Surafel Luleseged

2014-07-10

In this paper, we propose a new technique to test the Satisfiability of propositional logic programming and quantified Boolean formula problem in radial basis function neural networks. For this purpose, we built radial basis function neural networks to represent the proportional logic which has exactly three variables in each clause. We used the Prey-predator algorithm to calculate the output weights of the neural networks, while the K-means clustering algorithm is used to determine the hidden parameters (the centers and the widths). Mean of the sum squared error function is used to measure the activity of the two algorithms. We appliedmore » the developed technique with the recurrent radial basis function neural networks to represent the quantified Boolean formulas. The new technique can be applied to solve many applications such as electronic circuits and NP-complete problems.« less

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

PubMed

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

2017-11-01

The dominant approach to neuroimaging data analysis employs the voxel as the unit of computation. While convenient, voxels lack biological meaning and their size is arbitrarily determined by the resolution of the image. Here, we propose a multivariate spatial model in which neuroimaging data are characterised as a linearly weighted combination of multiscale basis functions which map onto underlying brain nuclei or networks or nuclei. In this model, the elementary building blocks are derived to reflect the functional anatomy of the brain during the resting state. This model is estimated using a Bayesian framework which accurately quantifies uncertainty and automatically finds the most accurate and parsimonious combination of basis functions describing the data. We demonstrate the utility of this framework by predicting quantitative SPECT images of striatal dopamine function and we compare a variety of basis sets including generic isotropic functions, anatomical representations of the striatum derived from structural MRI, and two different soft functional parcellations of the striatum derived from resting-state fMRI (rfMRI). We found that a combination of ∼50 multiscale functional basis functions accurately represented the striatal dopamine activity, and that functional basis functions derived from an advanced parcellation technique known as Instantaneous Connectivity Parcellation (ICP) provided the most parsimonious models of dopamine function. Importantly, functional basis functions derived from resting fMRI were more accurate than both structural and generic basis sets in representing dopamine function in the striatum for a fixed model order. We demonstrate the translational validity of our framework by constructing classification models for discriminating parkinsonian disorders and their subtypes. Here, we show that ICP approach is the only basis set that performs well across all comparisons and performs better overall than the classical voxel-based approach

A thin-plate spline analysis of the face and tongue in obstructive sleep apnea patients.

PubMed

Pae, E K; Lowe, A A; Fleetham, J A

1997-12-01

The shape characteristics of the face and tongue in obstructive sleep apnea (OSA) patients were investigated using thin-plate (TP) splines. A relatively new analytic tool, the TP spline method, provides a means of size normalization and image analysis. When shape is one's main concern, various sizes of a biologic structure may be a source of statistical noise. More seriously, the strong size effect could mask underlying, actual attributes of the disease. A set of size normalized data in the form of coordinates was generated from cephalograms of 80 male subjects. The TP spline method envisioned the differences in the shape of the face and tongue between OSA patients and nonapneic subjects and those between the upright and supine body positions. In accordance with OSA severity, the hyoid bone and the submental region positioned inferiorly and the fourth vertebra relocated posteriorly with respect to the mandible. This caused a fanlike configuration of the lower part of the face and neck in the sagittal plane in both upright and supine body positions. TP splines revealed tongue deformations caused by a body position change. Overall, the new morphometric tool adopted here was found to be viable in the analysis of morphologic changes.

Meshless Solution of the Problem on the Static Behavior of Thin and Thick Laminated Composite Beams

NASA Astrophysics Data System (ADS)

Xiang, S.; Kang, G. W.

2018-03-01

For the first time, the static behavior of laminated composite beams is analyzed using the meshless collocation method based on a thin-plate-spline radial basis function. In the approximation of a partial differential equation by using a radial basis function, the shape parameter has an important role in ensuring the numerical accuracy. The choice of a shape parameter in the thin plate spline radial basis function is easier than in other radial basis functions. The governing differential equations are derived based on Reddy's third-order shear deformation theory. Numerical results are obtained for symmetric cross-ply laminated composite beams with simple-simple and cantilever boundary conditions under a uniform load. The results found are compared with available published ones and demonstrate the accuracy of the present method.

The functional basis of adaptive evolution in chemostats.

PubMed

Gresham, David; Hong, Jungeui

2015-01-01

Two of the central problems in biology are determining the molecular basis of adaptive evolution and understanding how cells regulate their growth. The chemostat is a device for culturing cells that provides great utility in tackling both of these problems: it enables precise control of the selective pressure under which organisms evolve and it facilitates experimental control of cell growth rate. The aim of this review is to synthesize results from studies of the functional basis of adaptive evolution in long-term chemostat selections using Escherichia coli and Saccharomyces cerevisiae. We describe the principle of the chemostat, provide a summary of studies of experimental evolution in chemostats, and use these studies to assess our current understanding of selection in the chemostat. Functional studies of adaptive evolution in chemostats provide a unique means of interrogating the genetic networks that control cell growth, which complements functional genomic approaches and quantitative trait loci (QTL) mapping in natural populations. An integrated approach to the study of adaptive evolution that accounts for both molecular function and evolutionary processes is critical to advancing our understanding of evolution. By renewing efforts to integrate these two research programs, experimental evolution in chemostats is ideally suited to extending the functional synthesis to the study of genetic networks. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permission@oup.com.

3D shape recovery of a newborn skull using thin-plate splines.

PubMed

Lapeer, R J; Prager, R W

2000-01-01

The objective of this paper is to construct a mesh-model of a newborn skull for finite element analysis to study its deformation when subjected to the forces present during labour. The current state of medical imaging technology has reached a level which allows accurate visualisation and shape recovery of biological organs and body-parts. However, a sufficiently large set of medical images cannot always be obtained, often because of practical or ethical reasons, and the requirement to recover the shape of the biological object of interest has to be met by other means. Such is the case for a newborn skull. A method to recover the three-dimensional (3D) shape from (minimum) two orthogonal atlas images of the object of interest and a homologous object is described. This method is based on matching landmarks and curves on the orthogonal images of the object of interest with corresponding landmarks and curves on the homologous or 'master'-object which is fully defined in 3D space. On the basis of this set of corresponding landmarks, a thin-plate spline function can be derived to warp from the 'master'-object space to the 'slave'-object space. This method is applied to recover the 3D shape of a newborn skull. Images from orthogonal view-planes are obtained from an atlas. The homologous object is an adult skull, obtained from CT-images made available by the Visible Human Project. After shape recovery, a mesh-model of the newborn skull is generated.

Control theory and splines, applied to signature storage

NASA Technical Reports Server (NTRS)

Enqvist, Per

1994-01-01

In this report the problem we are going to study is the interpolation of a set of points in the plane with the use of control theory. We will discover how different systems generate different kinds of splines, cubic and exponential, and investigate the effect that the different systems have on the tracking problems. Actually we will see that the important parameters will be the two eigenvalues of the control matrix.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

The Interpolation Theory of Radial Basis Functions

NASA Astrophysics Data System (ADS)

Baxter, Brad

2010-06-01

In this dissertation, it is first shown that, when the radial basis function is a p-norm and 1 < p < 2, interpolation is always possible when the points are all different and there are at least two of them. We then show that interpolation is not always possible when p > 2. Specifically, for every p > 2, we construct a set of different points in some Rd for which the interpolation matrix is singular. The greater part of this work investigates the sensitivity of radial basis function interpolants to changes in the function values at the interpolation points. Our early results show that it is possible to recast the work of Ball, Narcowich and Ward in the language of distributional Fourier transforms in an elegant way. We then use this language to study the interpolation matrices generated by subsets of regular grids. In particular, we are able to extend the classical theory of Toeplitz operators to calculate sharp bounds on the spectra of such matrices. Applying our understanding of these spectra, we construct preconditioners for the conjugate gradient solution of the interpolation equations. Our main result is that the number of steps required to achieve solution of the linear system to within a required tolerance can be independent of the number of interpolation points. The Toeplitz structure allows us to use fast Fourier transform techniques, which imp lies that the total number of operations is a multiple of n log n, where n is the number of interpolation points. Finally, we use some of our methods to study the behaviour of the multiquadric when its shape parameter increases to infinity. We find a surprising link with the sinus cardinalis or sinc function of Whittaker. Consequently, it can be highly useful to use a large shape parameter when approximating band-limited functions.

Evaluation of the spline reconstruction technique for PET

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

Kastis, George A., E-mail: gkastis@academyofathens.gr; Kyriakopoulou, Dimitra; Gaitanis, Anastasios

2014-04-15

Purpose: The spline reconstruction technique (SRT), based on the analytic formula for the inverse Radon transform, has been presented earlier in the literature. In this study, the authors present an improved formulation and numerical implementation of this algorithm and evaluate it in comparison to filtered backprojection (FBP). Methods: The SRT is based on the numerical evaluation of the Hilbert transform of the sinogram via an approximation in terms of “custom made” cubic splines. By restricting reconstruction only within object pixels and by utilizing certain mathematical symmetries, the authors achieve a reconstruction time comparable to that of FBP. The authors havemore » implemented SRT in STIR and have evaluated this technique using simulated data from a clinical positron emission tomography (PET) system, as well as real data obtained from clinical and preclinical PET scanners. For the simulation studies, the authors have simulated sinograms of a point-source and three digital phantoms. Using these sinograms, the authors have created realizations of Poisson noise at five noise levels. In addition to visual comparisons of the reconstructed images, the authors have determined contrast and bias for different regions of the phantoms as a function of noise level. For the real-data studies, sinograms of an{sup 18}F-FDG injected mouse, a NEMA NU 4-2008 image quality phantom, and a Derenzo phantom have been acquired from a commercial PET system. The authors have determined: (a) coefficient of variations (COV) and contrast from the NEMA phantom, (b) contrast for the various sections of the Derenzo phantom, and (c) line profiles for the Derenzo phantom. Furthermore, the authors have acquired sinograms from a whole-body PET scan of an {sup 18}F-FDG injected cancer patient, using the GE Discovery ST PET/CT system. SRT and FBP reconstructions of the thorax have been visually evaluated. Results: The results indicate an improvement in FWHM and FWTM in both simulated

Neural-like computing with populations of superparamagnetic basis functions.

PubMed

Mizrahi, Alice; Hirtzlin, Tifenn; Fukushima, Akio; Kubota, Hitoshi; Yuasa, Shinji; Grollier, Julie; Querlioz, Damien

2018-04-18

In neuroscience, population coding theory demonstrates that neural assemblies can achieve fault-tolerant information processing. Mapped to nanoelectronics, this strategy could allow for reliable computing with scaled-down, noisy, imperfect devices. Doing so requires that the population components form a set of basis functions in terms of their response functions to inputs, offering a physical substrate for computing. Such a population can be implemented with CMOS technology, but the corresponding circuits have high area or energy requirements. Here, we show that nanoscale magnetic tunnel junctions can instead be assembled to meet these requirements. We demonstrate experimentally that a population of nine junctions can implement a basis set of functions, providing the data to achieve, for example, the generation of cursive letters. We design hybrid magnetic-CMOS systems based on interlinked populations of junctions and show that they can learn to realize non-linear variability-resilient transformations with a low imprint area and low power.

Local Adaptive Calibration of the GLASS Surface Incident Shortwave Radiation Product Using Smoothing Spline

NASA Astrophysics Data System (ADS)

Zhang, X.; Liang, S.; Wang, G.

2015-12-01

Incident solar radiation (ISR) over the Earth's surface plays an important role in determining the Earth's climate and environment. Generally, can be obtained from direct measurements, remotely sensed data, or reanalysis and general circulation models (GCMs) data. Each type of product has advantages and limitations: the surface direct measurements provide accurate but sparse spatial coverage, whereas other global products may have large uncertainties. Ground measurements have been normally used for validation and occasionally calibration, but transforming their "true values" spatially to improve the satellite products is still a new and challenging topic. In this study, an improved thin-plate smoothing spline approach is presented to locally "calibrate" the Global LAnd Surface Satellite (GLASS) ISR product using the reconstructed ISR data from surface meteorological measurements. The influences of surface elevation on ISR estimation was also considered in the proposed method. The point-based surface reconstructed ISR was used as the response variable, and the GLASS ISR product and the surface elevation data at the corresponding locations as explanatory variables to train the thin plate spline model. We evaluated the performance of the approach using the cross-validation method at both daily and monthly time scales over China. We also evaluated estimated ISR based on the thin-plate spline method using independent ground measurements at 10 sites from the Coordinated Enhanced Observation Network (CEON). These validation results indicated that the thin plate smoothing spline method can be effectively used for calibrating satellite derived ISR products using ground measurements to achieve better accuracy.

Mandibular transformations in prepubertal patients following treatment for craniofacial microsomia: thin-plate spline analysis.

PubMed

Hay, A D; Singh, G D

2000-01-01

To analyze correction of mandibular deformity using an inverted L osteotomy and autogenous bone graft in patients exhibiting unilateral craniofacial microsomia (CFM), thin-plate spline analysis was undertaken. Preoperative, early postoperative, and approximately 3.5-year postoperative posteroanterior cephalographs of 15 children (age 10+/-3 years) with CFM were scanned, and eight homologous mandibular landmarks digitized. Average mandibular geometries, scaled to an equivalent size, were generated using Procrustes superimposition. Results indicated that the mean pre- and postoperative mandibular configurations differed statistically (P<0.05). Thin-plate spline analysis indicated that the total spline (Cartesian transformation grid) of the pre- to early postoperative configuration showed mandibular body elongation on the treated side and inferior symphyseal displacement. The affine component of the total spline revealed a clockwise rotation of the preoperative configuration, whereas the nonaffine component was responsible for ramus, body, and symphyseal displacements. The transformation grid for the early and late postoperative comparison showed bilateral ramus elongation. A superior symphyseal displacement contrasted with its earlier inferior displacement, the affine component had translocated the symphyseal landmarks towards the midline. The nonaffine component demonstrated bilateral ramus lengthening, and partial warps suggested that these elongations were slightly greater on the nontreated side. The affine component of the pre- and late postoperative comparison also demonstrated a clockwise rotation. The nonaffine component produced the bilateral ramus elongations-the nontreated side ramus lengthening slightly more than the treated side. It is concluded that an inverted L osteotomy improves mandibular morphology significantly in CFM patients and permits continued bilateral ramus growth. Copyright 2000 Wiley-Liss, Inc.

PM10 modeling in the Oviedo urban area (Northern Spain) by using multivariate adaptive regression splines

NASA Astrophysics Data System (ADS)

Nieto, Paulino José García; Antón, Juan Carlos Álvarez; Vilán, José Antonio Vilán; García-Gonzalo, Esperanza

2014-10-01

The aim of this research work is to build a regression model of the particulate matter up to 10 micrometers in size (PM10) by using the multivariate adaptive regression splines (MARS) technique in the Oviedo urban area (Northern Spain) at local scale. This research work explores the use of a nonparametric regression algorithm known as multivariate adaptive regression splines (MARS) which has the ability to approximate the relationship between the inputs and outputs, and express the relationship mathematically. In this sense, hazardous air pollutants or toxic air contaminants refer to any substance that may cause or contribute to an increase in mortality or serious illness, or that may pose a present or potential hazard to human health. To accomplish the objective of this study, the experimental dataset of nitrogen oxides (NOx), carbon monoxide (CO), sulfur dioxide (SO2), ozone (O3) and dust (PM10) were collected over 3 years (2006-2008) and they are used to create a highly nonlinear model of the PM10 in the Oviedo urban nucleus (Northern Spain) based on the MARS technique. One main objective of this model is to obtain a preliminary estimate of the dependence between PM10 pollutant in the Oviedo urban area at local scale. A second aim is to determine the factors with the greatest bearing on air quality with a view to proposing health and lifestyle improvements. The United States National Ambient Air Quality Standards (NAAQS) establishes the limit values of the main pollutants in the atmosphere in order to ensure the health of healthy people. Firstly, this MARS regression model captures the main perception of statistical learning theory in order to obtain a good prediction of the dependence among the main pollutants in the Oviedo urban area. Secondly, the main advantages of MARS are its capacity to produce simple, easy-to-interpret models, its ability to estimate the contributions of the input variables, and its computational efficiency. Finally, on the basis of

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

PubMed

Yang, Jingjing; Cox, Dennis D; Lee, Jong Soo; Ren, Peng; Choi, Taeryon

2017-12-01

Functional data are defined as realizations of random functions (mostly smooth functions) varying over a continuum, which are usually collected on discretized grids with measurement errors. In order to accurately smooth noisy functional observations and deal with the issue of high-dimensional observation grids, we propose a novel Bayesian method based on the Bayesian hierarchical model with a Gaussian-Wishart process prior and basis function representations. We first derive an induced model for the basis-function coefficients of the functional data, and then use this model to conduct posterior inference through Markov chain Monte Carlo methods. Compared to the standard Bayesian inference that suffers serious computational burden and instability in analyzing high-dimensional functional data, our method greatly improves the computational scalability and stability, while inheriting the advantage of simultaneously smoothing raw observations and estimating the mean-covariance functions in a nonparametric way. In addition, our method can naturally handle functional data observed on random or uncommon grids. Simulation and real studies demonstrate that our method produces similar results to those obtainable by the standard Bayesian inference with low-dimensional common grids, while efficiently smoothing and estimating functional data with random and high-dimensional observation grids when the standard Bayesian inference fails. In conclusion, our method can efficiently smooth and estimate high-dimensional functional data, providing one way to resolve the curse of dimensionality for Bayesian functional data analysis with Gaussian-Wishart processes. © 2017, The International Biometric Society.

On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit

NASA Astrophysics Data System (ADS)

Santra, Biswajit; Michaelides, Angelos; Scheffler, Matthias

2007-11-01

The ability of several density-functional theory (DFT) exchange-correlation functionals to describe hydrogen bonds in small water clusters (dimer to pentamer) in their global minimum energy structures is evaluated with reference to second order Møller-Plesset perturbation theory (MP2). Errors from basis set incompleteness have been minimized in both the MP2 reference data and the DFT calculations, thus enabling a consistent systematic evaluation of the true performance of the tested functionals. Among all the functionals considered, the hybrid X3LYP and PBE0 functionals offer the best performance and among the nonhybrid generalized gradient approximation functionals, mPWLYP and PBE1W perform best. The popular BLYP and B3LYP functionals consistently underbind and PBE and PW91 display rather variable performance with cluster size.

On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit.

PubMed

Santra, Biswajit; Michaelides, Angelos; Scheffler, Matthias

2007-11-14

The ability of several density-functional theory (DFT) exchange-correlation functionals to describe hydrogen bonds in small water clusters (dimer to pentamer) in their global minimum energy structures is evaluated with reference to second order Moller-Plesset perturbation theory (MP2). Errors from basis set incompleteness have been minimized in both the MP2 reference data and the DFT calculations, thus enabling a consistent systematic evaluation of the true performance of the tested functionals. Among all the functionals considered, the hybrid X3LYP and PBE0 functionals offer the best performance and among the nonhybrid generalized gradient approximation functionals, mPWLYP and PBE1W perform best. The popular BLYP and B3LYP functionals consistently underbind and PBE and PW91 display rather variable performance with cluster size.

A Meshless Method Using Radial Basis Functions for Beam Bending Problems

NASA Technical Reports Server (NTRS)

Raju, I. S.; Phillips, D. R.; Krishnamurthy, T.

2004-01-01

A meshless local Petrov-Galerkin (MLPG) method that uses radial basis functions (RBFs) as trial functions in the study of Euler-Bernoulli beam problems is presented. RBFs, rather than generalized moving least squares (GMLS) interpolations, are used to develop the trial functions. This choice yields a computationally simpler method as fewer matrix inversions and multiplications are required than when GMLS interpolations are used. Test functions are chosen as simple weight functions as they are in the conventional MLPG method. Compactly and noncompactly supported RBFs are considered. Noncompactly supported cubic RBFs are found to be preferable. Patch tests, mixed boundary value problems, and problems with complex loading conditions are considered. Results obtained from the radial basis MLPG method are either of comparable or better accuracy than those obtained when using the conventional MLPG method.

Carbon-Hydrogen Bond Activation in Hydridotris(pyrazolyl)borate Platinum(IV) Complexes:  Comparison of Density Functionals, Basis Sets, and Bonding Patterns.

PubMed

Vastine, Benjamin Alan; Webster, Charles Edwin; Hall, Michael B

2007-11-01

The reaction mechanism for the cycle beginning with the reductive elimination (RE) of methane from κ(3)-TpPt(IV)(CH3)2H (1) (Tp = hydridotris(pyrazolyl)borate) and subsequent oxidative addition (OA) of benzene to form finally κ(3)-TpPt(IV)(Ph)2H (19) was investigated by density functional theory (DFT). Two mechanistic steps are of particular interest, namely the barrier to C-H coupling (barrier 1 - Ba1) and the barrier to methane release (barrier 2 - Ba2). For 31 density functionals, the calculated values for Ba1 and Ba2 were benchmarked against the experimentally reported values of 26 (Ba1) and 35 (Ba2) kcal·mol(-1), respectively. Specifically, the values for Ba1 and Ba2, calculated at the B3LYP/double-ζ plus polarization level of theory, are 24.6 and 34.3 kcal·mol(-1), respectively. Overall, the best performing functional was BPW91 where the mae associated with the calculated values of the two barriers is 0.68 kcal·mol(-1). The calculated B3LYP values of Ba1 ranged between 20 and 26 kcal·mol(-1) for 12 effective core potential basis sets for platinum and 29 all-electron basis sets for the first row elements. Polarization functions for the first row elements were important for accurate values, but the addition of diffuse functions to non-hydrogen (+) and hydrogen atoms (++) had little effect on the calculated values. Basis set saturation was achieved with APNO basis sets utilized for first-row atoms. Bader's "Atoms in Molecules" was used to analyze the electron density of several complexes, and the electron density at the Pt-Nax bond critical point (trans to the active site for C-H coupling) varied over a wider range than any of the other Pt-N bonds.

Chronic Lymphocytic Leukemia B-Cell Normal Cellular Counterpart: Clues From a Functional Perspective

PubMed Central

Darwiche, Walaa; Gubler, Brigitte; Marolleau, Jean-Pierre; Ghamlouch, Hussein

2018-01-01

Chronic lymphocytic leukemia (CLL) is characterized by the clonal expansion of small mature-looking CD19+ CD23+ CD5+ B-cells that accumulate in the blood, bone marrow, and lymphoid organs. To date, no consensus has been reached concerning the normal cellular counterpart of CLL B-cells and several B-cell types have been proposed. CLL B-cells have remarkable phenotypic and gene expression profile homogeneity. In recent years, the molecular and cellular biology of CLL has been enriched by seminal insights that are leading to a better understanding of the natural history of the disease. Immunophenotypic and molecular approaches (including immunoglobulin heavy-chain variable gene mutational status, transcriptional and epigenetic profiling) comparing the normal B-cell subset and CLL B-cells provide some new insights into the normal cellular counterpart. Functional characteristics (including activation requirements and propensity for plasma cell differentiation) of CLL B-cells have now been investigated for 50 years. B-cell subsets differ substantially in terms of their functional features. Analysis of shared functional characteristics may reveal similarities between normal B-cell subsets and CLL B-cells, allowing speculative assignment of a normal cellular counterpart for CLL B-cells. In this review, we summarize current data regarding peripheral B-cell differentiation and human B-cell subsets and suggest possibilities for a normal cellular counterpart based on the functional characteristics of CLL B-cells. However, a definitive normal cellular counterpart cannot be attributed on the basis of the available data. We discuss the functional characteristics required for a cell to be logically considered to be the normal counterpart of CLL B-cells. PMID:29670635

Adaptive spline autoregression threshold method in forecasting Mitsubishi car sales volume at PT Srikandi Diamond Motors

NASA Astrophysics Data System (ADS)

Susanti, D.; Hartini, E.; Permana, A.

2017-01-01

Sale and purchase of the growing competition between companies in Indonesian, make every company should have a proper planning in order to win the competition with other companies. One of the things that can be done to design the plan is to make car sales forecast for the next few periods, it’s required that the amount of inventory of cars that will be sold in proportion to the number of cars needed. While to get the correct forecasting, on of the methods that can be used is the method of Adaptive Spline Threshold Autoregression (ASTAR). Therefore, this time the discussion will focus on the use of Adaptive Spline Threshold Autoregression (ASTAR) method in forecasting the volume of car sales in PT.Srikandi Diamond Motors using time series data.In the discussion of this research, forecasting using the method of forecasting value Adaptive Spline Threshold Autoregression (ASTAR) produce approximately correct.

Pre-evaluation and interactive editing of B-spline and GERBS curves and surfaces

NASA Astrophysics Data System (ADS)

Laksâ, Arne

2017-12-01

Interactive computer based geometry editing is very useful for designers and artists. Our goal has been to develop useful tools for geometry editing in a way that increases the ability for creative design. When we interactively editing geometry, we want to see the change happening gradually and smoothly on the screen. Pre-evaluation is a tool for increasing the speed of the graphics when doing interactive affine operation on control points and control surfaces. It is then possible to add details on surfaces, and change shape in a smooth and continuous way. We use pre-evaluation on basis functions, on blending functions and on local surfaces. Pre-evaluation can be made hierarchi-cally and is thus useful for local refinements. Sampling and plotting of curves, surfaces and volumes can today be handled by the GPU and it is therefore important to have a structured organization and updating system to be able to make interactive editing as smooth and user friendly as possible. In the following, we will show a structure for pre-evaluation and an optimal organisation of the computation and we will show the effect of implementing both of these techniques.

Spline-based high-accuracy piecewise-polynomial phase-to-sinusoid amplitude converters.

PubMed

Petrinović, Davor; Brezović, Marko

2011-04-01

We propose a method for direct digital frequency synthesis (DDS) using a cubic spline piecewise-polynomial model for a phase-to-sinusoid amplitude converter (PSAC). This method offers maximum smoothness of the output signal. Closed-form expressions for the cubic polynomial coefficients are derived in the spectral domain and the performance analysis of the model is given in the time and frequency domains. We derive the closed-form performance bounds of such DDS using conventional metrics: rms and maximum absolute errors (MAE) and maximum spurious free dynamic range (SFDR) measured in the discrete time domain. The main advantages of the proposed PSAC are its simplicity, analytical tractability, and inherent numerical stability for high table resolutions. Detailed guidelines for a fixed-point implementation are given, based on the algebraic analysis of all quantization effects. The results are verified on 81 PSAC configurations with the output resolutions from 5 to 41 bits by using a bit-exact simulation. The VHDL implementation of a high-accuracy DDS based on the proposed PSAC with 28-bit input phase word and 32-bit output value achieves SFDR of its digital output signal between 180 and 207 dB, with a signal-to-noise ratio of 192 dB. Its implementation requires only one 18 kB block RAM and three 18-bit embedded multipliers in a typical field-programmable gate array (FPGA) device. © 2011 IEEE

Defining window-boundaries for genomic analyses using smoothing spline techniques

DOE PAGES

Beissinger, Timothy M.; Rosa, Guilherme J.M.; Kaeppler, Shawn M.; ...

2015-04-17

High-density genomic data is often analyzed by combining information over windows of adjacent markers. Interpretation of data grouped in windows versus at individual locations may increase statistical power, simplify computation, reduce sampling noise, and reduce the total number of tests performed. However, use of adjacent marker information can result in over- or under-smoothing, undesirable window boundary specifications, or highly correlated test statistics. We introduce a method for defining windows based on statistically guided breakpoints in the data, as a foundation for the analysis of multiple adjacent data points. This method involves first fitting a cubic smoothing spline to the datamore » and then identifying the inflection points of the fitted spline, which serve as the boundaries of adjacent windows. This technique does not require prior knowledge of linkage disequilibrium, and therefore can be applied to data collected from individual or pooled sequencing experiments. Moreover, in contrast to existing methods, an arbitrary choice of window size is not necessary, since these are determined empirically and allowed to vary along the genome.« less

Combined visualization for noise mapping of industrial facilities based on ray-tracing and thin plate splines

NASA Astrophysics Data System (ADS)

Ovsiannikov, Mikhail; Ovsiannikov, Sergei

2017-01-01

The paper presents the combined approach to noise mapping and visualizing of industrial facilities sound pollution using forward ray tracing method and thin-plate spline interpolation. It is suggested to cauterize industrial area in separate zones with similar sound levels. Equivalent local source is defined for range computation of sanitary zones based on ray tracing algorithm. Computation of sound pressure levels within clustered zones are based on two-dimension spline interpolation of measured data on perimeter and inside the zone.

Perceptually informed synthesis of bandlimited classical waveforms using integrated polynomial interpolation.

PubMed

Välimäki, Vesa; Pekonen, Jussi; Nam, Juhan

2012-01-01

Digital subtractive synthesis is a popular music synthesis method, which requires oscillators that are aliasing-free in a perceptual sense. It is a research challenge to find computationally efficient waveform generation algorithms that produce similar-sounding signals to analog music synthesizers but which are free from audible aliasing. A technique for approximately bandlimited waveform generation is considered that is based on a polynomial correction function, which is defined as the difference of a non-bandlimited step function and a polynomial approximation of the ideal bandlimited step function. It is shown that the ideal bandlimited step function is equivalent to the sine integral, and that integrated polynomial interpolation methods can successfully approximate it. Integrated Lagrange interpolation and B-spline basis functions are considered for polynomial approximation. The polynomial correction function can be added onto samples around each discontinuity in a non-bandlimited waveform to suppress aliasing. Comparison against previously known methods shows that the proposed technique yields the best tradeoff between computational cost and sound quality. The superior method amongst those considered in this study is the integrated third-order B-spline correction function, which offers perceptually aliasing-free sawtooth emulation up to the fundamental frequency of 7.8 kHz at the sample rate of 44.1 kHz. © 2012 Acoustical Society of America.

Tungsten anode spectral model using interpolating cubic splines: unfiltered x-ray spectra from 20 kV to 640 kV.

PubMed

Hernandez, Andrew M; Boone, John M

2014-04-01

Monte Carlo methods were used to generate lightly filtered high resolution x-ray spectra spanning from 20 kV to 640 kV. X-ray spectra were simulated for a conventional tungsten anode. The Monte Carlo N-Particle eXtended radiation transport code (MCNPX 2.6.0) was used to produce 35 spectra over the tube potential range from 20 kV to 640 kV, and cubic spline interpolation procedures were used to create piecewise polynomials characterizing the photon fluence per energy bin as a function of x-ray tube potential. Using these basis spectra and the cubic spline interpolation, 621 spectra were generated at 1 kV intervals from 20 to 640 kV. The tungsten anode spectral model using interpolating cubic splines (TASMICS) produces minimally filtered (0.8 mm Be) x-ray spectra with 1 keV energy resolution. The TASMICS spectra were compared mathematically with other, previously reported spectra. Using pairedt-test analyses, no statistically significant difference (i.e., p > 0.05) was observed between compared spectra over energy bins above 1% of peak bremsstrahlung fluence. For all energy bins, the correlation of determination (R(2)) demonstrated good correlation for all spectral comparisons. The mean overall difference (MOD) and mean absolute difference (MAD) were computed over energy bins (above 1% of peak bremsstrahlung fluence) and over all the kV permutations compared. MOD and MAD comparisons with previously reported spectra were 2.7% and 9.7%, respectively (TASMIP), 0.1% and 12.0%, respectively [R. Birch and M. Marshall, "Computation of bremsstrahlung x-ray spectra and comparison with spectra measured with a Ge(Li) detector," Phys. Med. Biol. 24, 505-517 (1979)], 0.4% and 8.1%, respectively (Poludniowski), and 0.4% and 8.1%, respectively (AAPM TG 195). The effective energy of TASMICS spectra with 2.5 mm of added Al filtration ranged from 17 keV (at 20 kV) to 138 keV (at 640 kV); with 0.2 mm of added Cu filtration the effective energy was 9 keV at 20 kV and 169 keV at 640 k

Tungsten anode spectral model using interpolating cubic splines: Unfiltered x-ray spectra from 20 kV to 640 kV

PubMed Central

Hernandez, Andrew M.; Boone, John M.

2014-01-01

Purpose: Monte Carlo methods were used to generate lightly filtered high resolution x-ray spectra spanning from 20 kV to 640 kV. Methods: X-ray spectra were simulated for a conventional tungsten anode. The Monte Carlo N-Particle eXtended radiation transport code (MCNPX 2.6.0) was used to produce 35 spectra over the tube potential range from 20 kV to 640 kV, and cubic spline interpolation procedures were used to create piecewise polynomials characterizing the photon fluence per energy bin as a function of x-ray tube potential. Using these basis spectra and the cubic spline interpolation, 621 spectra were generated at 1 kV intervals from 20 to 640 kV. The tungsten anode spectral model using interpolating cubic splines (TASMICS) produces minimally filtered (0.8 mm Be) x-ray spectra with 1 keV energy resolution. The TASMICS spectra were compared mathematically with other, previously reported spectra. Results: Using paired t-test analyses, no statistically significant difference (i.e., p > 0.05) was observed between compared spectra over energy bins above 1% of peak bremsstrahlung fluence. For all energy bins, the correlation of determination (R2) demonstrated good correlation for all spectral comparisons. The mean overall difference (MOD) and mean absolute difference (MAD) were computed over energy bins (above 1% of peak bremsstrahlung fluence) and over all the kV permutations compared. MOD and MAD comparisons with previously reported spectra were 2.7% and 9.7%, respectively (TASMIP), 0.1% and 12.0%, respectively [R. Birch and M. Marshall, “Computation of bremsstrahlung x-ray spectra and comparison with spectra measured with a Ge(Li) detector,” Phys. Med. Biol. 24, 505–517 (1979)], 0.4% and 8.1%, respectively (Poludniowski), and 0.4% and 8.1%, respectively (AAPM TG 195). The effective energy of TASMICS spectra with 2.5 mm of added Al filtration ranged from 17 keV (at 20 kV) to 138 keV (at 640 kV); with 0.2 mm of added Cu filtration the effective energy was 9 ke

Tungsten anode spectral model using interpolating cubic splines: Unfiltered x-ray spectra from 20 kV to 640 kV

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

Hernandez, Andrew M.; Boone, John M., E-mail: john.boone@ucdmc.ucdavis.edu

Purpose: Monte Carlo methods were used to generate lightly filtered high resolution x-ray spectra spanning from 20 kV to 640 kV. Methods: X-ray spectra were simulated for a conventional tungsten anode. The Monte Carlo N-Particle eXtended radiation transport code (MCNPX 2.6.0) was used to produce 35 spectra over the tube potential range from 20 kV to 640 kV, and cubic spline interpolation procedures were used to create piecewise polynomials characterizing the photon fluence per energy bin as a function of x-ray tube potential. Using these basis spectra and the cubic spline interpolation, 621 spectra were generated at 1 kV intervalsmore » from 20 to 640 kV. The tungsten anode spectral model using interpolating cubic splines (TASMICS) produces minimally filtered (0.8 mm Be) x-ray spectra with 1 keV energy resolution. The TASMICS spectra were compared mathematically with other, previously reported spectra. Results: Using pairedt-test analyses, no statistically significant difference (i.e., p > 0.05) was observed between compared spectra over energy bins above 1% of peak bremsstrahlung fluence. For all energy bins, the correlation of determination (R{sup 2}) demonstrated good correlation for all spectral comparisons. The mean overall difference (MOD) and mean absolute difference (MAD) were computed over energy bins (above 1% of peak bremsstrahlung fluence) and over all the kV permutations compared. MOD and MAD comparisons with previously reported spectra were 2.7% and 9.7%, respectively (TASMIP), 0.1% and 12.0%, respectively [R. Birch and M. Marshall, “Computation of bremsstrahlung x-ray spectra and comparison with spectra measured with a Ge(Li) detector,” Phys. Med. Biol. 24, 505–517 (1979)], 0.4% and 8.1%, respectively (Poludniowski), and 0.4% and 8.1%, respectively (AAPM TG 195). The effective energy of TASMICS spectra with 2.5 mm of added Al filtration ranged from 17 keV (at 20 kV) to 138 keV (at 640 kV); with 0.2 mm of added Cu filtration the effective

Optimal Number and Allocation of Data Collection Points for Linear Spline Growth Curve Modeling: A Search for Efficient Designs

ERIC Educational Resources Information Center

Wu, Wei; Jia, Fan; Kinai, Richard; Little, Todd D.

2017-01-01

Spline growth modelling is a popular tool to model change processes with distinct phases and change points in longitudinal studies. Focusing on linear spline growth models with two phases and a fixed change point (the transition point from one phase to the other), we detail how to find optimal data collection designs that maximize the efficiency…

Free vibrations and buckling analysis of laminated plates by oscillatory radial basis functions

NASA Astrophysics Data System (ADS)

Neves, A. M. A.; Ferreira, A. J. M.

2015-12-01

In this paper the free vibrations and buckling analysis of laminated plates is performed using a global meshless method. A refined version of Kant's theorie which accounts for transverse normal stress and through-the-thickness deformation is used. The innovation is the use of oscillatory radial basis functions. Numerical examples are performed and results are presented and compared to available references. Such functions proved to be an alternative to the tradicional nonoscillatory radial basis functions.

Green's function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism

DOE PAGES

Alam, Aftab; Khan, Suffian N.; Smirnov, A. V.; ...

2014-11-04

Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an ecient sitecentered, electronic-structure technique for addressing an assembly of N scatterers. Wave-functions are expanded in a spherical-wave basis on each scattering center and indexed up to a maximum orbital and azimuthal number L max = (l,m) max, while scattering matrices, which determine spectral properties, are truncated at L tr = (l,m) tr where phase shifts δl>l tr are negligible. Historically, L max is set equal to L tr, which is correct for large enough L max but not computationally expedient; a better procedure retains higher-order (free-electron and single-site) contributions for L maxmore » > L tr with δl>l tr set to zero [Zhang and Butler, Phys. Rev. B 46, 7433]. We present a numerically ecient and accurate augmented-KKR Green's function formalism that solves the KKR equations by exact matrix inversion [R 3 process with rank N(l tr + 1) 2] and includes higher-L contributions via linear algebra [R 2 process with rank N(l max +1) 2]. Augmented-KKR approach yields properly normalized wave-functions, numerically cheaper basis-set convergence, and a total charge density and electron count that agrees with Lloyd's formula. We apply our formalism to fcc Cu, bcc Fe and L1 0 CoPt, and present the numerical results for accuracy and for the convergence of the total energies, Fermi energies, and magnetic moments versus L max for a given L tr.« less

Structural basis for the mutual antagonism of cAMP and TRIP8b in regulating HCN channel function

PubMed Central

Saponaro, Andrea; Pauleta, Sofia R.; Cantini, Francesca; Matzapetakis, Manolis; Hammann, Christian; Donadoni, Chiara; Hu, Lei; Thiel, Gerhard; Banci, Lucia; Santoro, Bina; Moroni, Anna

2014-01-01

cAMP signaling in the brain mediates several higher order neural processes. Hyperpolarization-activated cyclic nucleotide-gated (HCN) channels directly bind cAMP through their cytoplasmic cyclic nucleotide binding domain (CNBD), thus playing a unique role in brain function. Neuronal HCN channels are also regulated by tetratricopeptide repeat-containing Rab8b interacting protein (TRIP8b), an auxiliary subunit that antagonizes the effects of cAMP by interacting with the channel CNBD. To unravel the molecular mechanisms underlying the dual regulation of HCN channel activity by cAMP/TRIP8b, we determined the NMR solution structure of the HCN2 channel CNBD in the cAMP-free form and mapped on it the TRIP8b interaction site. We reconstruct here the full conformational changes induced by cAMP binding to the HCN channel CNBD. Our results show that TRIP8b does not compete with cAMP for the same binding region; rather, it exerts its inhibitory action through an allosteric mechanism, preventing the cAMP-induced conformational changes in the HCN channel CNBD. PMID:25197093

Quantum phase space with a basis of Wannier functions

NASA Astrophysics Data System (ADS)

Fang, Yuan; Wu, Fan; Wu, Biao

2018-02-01

A quantum phase space with Wannier basis is constructed: (i) classical phase space is divided into Planck cells; (ii) a complete set of Wannier functions are constructed with the combination of Kohn’s method and Löwdin method such that each Wannier function is localized at a Planck cell. With these Wannier functions one can map a wave function unitarily onto phase space. Various examples are used to illustrate our method and compare it to Wigner function. The advantage of our method is that it can smooth out the oscillations in wave functions without losing any information and is potentially a better tool in studying quantum-classical correspondence. In addition, we point out that our method can be used for time-frequency analysis of signals.

Blind beam-hardening correction from Poisson measurements

NASA Astrophysics Data System (ADS)

Gu, Renliang; Dogandžić, Aleksandar

2016-02-01

We develop a sparse image reconstruction method for Poisson-distributed polychromatic X-ray computed tomography (CT) measurements under the blind scenario where the material of the inspected object and the incident energy spectrum are unknown. We employ our mass-attenuation spectrum parameterization of the noiseless measurements and express the mass- attenuation spectrum as a linear combination of B-spline basis functions of order one. A block coordinate-descent algorithm is developed for constrained minimization of a penalized Poisson negative log-likelihood (NLL) cost function, where constraints and penalty terms ensure nonnegativity of the spline coefficients and nonnegativity and sparsity of the density map image; the image sparsity is imposed using a convex total-variation (TV) norm penalty term. This algorithm alternates between a Nesterov's proximal-gradient (NPG) step for estimating the density map image and a limited-memory Broyden-Fletcher-Goldfarb-Shanno with box constraints (L-BFGS-B) step for estimating the incident-spectrum parameters. To accelerate convergence of the density- map NPG steps, we apply function restart and a step-size selection scheme that accounts for varying local Lipschitz constants of the Poisson NLL. Real X-ray CT reconstruction examples demonstrate the performance of the proposed scheme.

Photoionization of furan from the ground and excited electronic states.

PubMed

Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero

2016-02-28

Here we present a comparative computational study of the photoionization of furan from the ground and the two lowest-lying excited electronic states. The study aims to assess the quality of the computational methods currently employed for treating bound and continuum states in photoionization. For the ionization from the ground electronic state, we show that the Dyson orbital approach combined with an accurate solution of the continuum one particle wave functions in a multicenter B-spline basis, at the density functional theory (DFT) level, provides cross sections and asymmetry parameters in excellent agreement with experimental data. On the contrary, when the Dyson orbitals approach is combined with the Coulomb and orthogonalized Coulomb treatments of the continuum, the results are qualitatively different. In excited electronic states, three electronic structure methods, TDDFT, ADC(2), and CASSCF, have been used for the computation of the Dyson orbitals, while the continuum was treated at the B-spline/DFT level. We show that photoionization observables are sensitive probes of the nature of the excited states as well as of the quality of excited state wave functions. This paves the way for applications in more complex situations such as time resolved photoionization spectroscopy.

Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C

NASA Astrophysics Data System (ADS)

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

2017-06-01

With the aim of mitigating the basis set error in density functional theory (DFT) calculations employing local basis sets, we herein develop two empirical corrections for basis set superposition error (BSSE) in the def2-SVPD basis, a basis which—when stripped of BSSE—is capable of providing near-complete-basis DFT results for non-covalent interactions. Specifically, we adapt the existing pairwise geometrical counterpoise (gCP) approach to the def2-SVPD basis, and we develop a beyond-pairwise approach, DFT-C, which we parameterize across a small set of intermolecular interactions. Both gCP and DFT-C are evaluated against the traditional Boys-Bernardi counterpoise correction across a set of 3402 non-covalent binding energies and isomerization energies. We find that the DFT-C method represents a significant improvement over gCP, particularly for non-covalently-interacting molecular clusters. Moreover, DFT-C is transferable among density functionals and can be combined with existing functionals—such as B97M-V—to recover large-basis results at a fraction of the cost.

[Elastic registration method to compute deformation functions for mitral valve].

PubMed

Yang, Jinyu; Zhang, Wan; Yin, Ran; Deng, Yuxiao; Wei, Yunfeng; Zeng, Junyi; Wen, Tong; Ding, Lu; Liu, Xiaojian; Li, Yipeng

2014-10-01

Mitral valve disease is one of the most popular heart valve diseases. Precise positioning and displaying of the valve characteristics is necessary for the minimally invasive mitral valve repairing procedures. This paper presents a multi-resolution elastic registration method to compute the deformation functions constructed from cubic B-splines in three dimensional ultrasound images, in which the objective functional to be optimized was generated by maximum likelihood method based on the probabilistic distribution of the ultrasound speckle noise. The algorithm was then applied to register the mitral valve voxels. Numerical results proved the effectiveness of the algorithm.

Structural Basis of Merlin Tumor Suppressor Functions in Neurofibromatosis-2

DTIC Science & Technology

2013-10-01

Neurofibromatosis -2 PRINCIPAL INVESTIGATOR: Tina Izard CONTRACTING ORGANIZATION: The Scripps Research Institute La Jolla, CA 92037-1000...30September2012-29September2013 4. TITLE AND SUBTITLE Structural Basis of Merlin Tumor Suppressor Functions in Neurofibromatosis -2 5a. CONTRACT...14. ABSTRACT Loss-of-function mutations in the neurofibromatosis -2 (NF2) gene lead to familial and sporadic neurological malignancies in man

Wavelet decomposition and radial basis function networks for system monitoring

NASA Astrophysics Data System (ADS)

Ikonomopoulos, A.; Endou, A.

1998-10-01

Two approaches are coupled to develop a novel collection of black box models for monitoring operational parameters in a complex system. The idea springs from the intention of obtaining multiple predictions for each system variable and fusing them before they are used to validate the actual measurement. The proposed architecture pairs the analytical abilities of the discrete wavelet decomposition with the computational power of radial basis function networks. Members of a wavelet family are constructed in a systematic way and chosen through a statistical selection criterion that optimizes the structure of the network. Network parameters are further optimized through a quasi-Newton algorithm. The methodology is demonstrated utilizing data obtained during two transients of the Monju fast breeder reactor. The models developed are benchmarked with respect to similar regressors based on Gaussian basis functions.

MR-guided dynamic PET reconstruction with the kernel method and spectral temporal basis functions

NASA Astrophysics Data System (ADS)

Novosad, Philip; Reader, Andrew J.

2016-06-01

Recent advances in dynamic positron emission tomography (PET) reconstruction have demonstrated that it is possible to achieve markedly improved end-point kinetic parameter maps by incorporating a temporal model of the radiotracer directly into the reconstruction algorithm. In this work we have developed a highly constrained, fully dynamic PET reconstruction algorithm incorporating both spectral analysis temporal basis functions and spatial basis functions derived from the kernel method applied to a co-registered T1-weighted magnetic resonance (MR) image. The dynamic PET image is modelled as a linear combination of spatial and temporal basis functions, and a maximum likelihood estimate for the coefficients can be found using the expectation-maximization (EM) algorithm. Following reconstruction, kinetic fitting using any temporal model of interest can be applied. Based on a BrainWeb T1-weighted MR phantom, we performed a realistic dynamic [18F]FDG simulation study with two noise levels, and investigated the quantitative performance of the proposed reconstruction algorithm, comparing it with reconstructions incorporating either spectral analysis temporal basis functions alone or kernel spatial basis functions alone, as well as with conventional frame-independent reconstruction. Compared to the other reconstruction algorithms, the proposed algorithm achieved superior performance, offering a decrease in spatially averaged pixel-level root-mean-square-error on post-reconstruction kinetic parametric maps in the grey/white matter, as well as in the tumours when they were present on the co-registered MR image. When the tumours were not visible in the MR image, reconstruction with the proposed algorithm performed similarly to reconstruction with spectral temporal basis functions and was superior to both conventional frame-independent reconstruction and frame-independent reconstruction with kernel spatial basis functions. Furthermore, we demonstrate that a joint spectral

MR-guided dynamic PET reconstruction with the kernel method and spectral temporal basis functions.

PubMed

Novosad, Philip; Reader, Andrew J

2016-06-21

Recent advances in dynamic positron emission tomography (PET) reconstruction have demonstrated that it is possible to achieve markedly improved end-point kinetic parameter maps by incorporating a temporal model of the radiotracer directly into the reconstruction algorithm. In this work we have developed a highly constrained, fully dynamic PET reconstruction algorithm incorporating both spectral analysis temporal basis functions and spatial basis functions derived from the kernel method applied to a co-registered T1-weighted magnetic resonance (MR) image. The dynamic PET image is modelled as a linear combination of spatial and temporal basis functions, and a maximum likelihood estimate for the coefficients can be found using the expectation-maximization (EM) algorithm. Following reconstruction, kinetic fitting using any temporal model of interest can be applied. Based on a BrainWeb T1-weighted MR phantom, we performed a realistic dynamic [(18)F]FDG simulation study with two noise levels, and investigated the quantitative performance of the proposed reconstruction algorithm, comparing it with reconstructions incorporating either spectral analysis temporal basis functions alone or kernel spatial basis functions alone, as well as with conventional frame-independent reconstruction. Compared to the other reconstruction algorithms, the proposed algorithm achieved superior performance, offering a decrease in spatially averaged pixel-level root-mean-square-error on post-reconstruction kinetic parametric maps in the grey/white matter, as well as in the tumours when they were present on the co-registered MR image. When the tumours were not visible in the MR image, reconstruction with the proposed algorithm performed similarly to reconstruction with spectral temporal basis functions and was superior to both conventional frame-independent reconstruction and frame-independent reconstruction with kernel spatial basis functions. Furthermore, we demonstrate that a joint spectral

Structural basis for pulmonary functional imaging.

PubMed

Itoh, H; Nakatsu, M; Yoxtheimer, L M; Uematsu, H; Ohno, Y; Hatabu, H

2001-03-01

An understanding of fine normal lung morphology is important for effective pulmonary functional imaging. The lung specimens must be inflated. These include (a) unfixed, inflated lung specimen, (b) formaldehyde fixed lung specimen, (c) fixed, inflated dry lung specimen, and (d) histology specimen. Photography, magnified view, radiograph, computed tomography, and histology of these specimens are demonstrated. From a standpoint of diagnostic imaging, the main normal lung structures consist of airways (bronchi and bronchioles), alveoli, pulmonary vessels, secondary pulmonary lobules, and subpleural pulmonary lymphatic channels. This review summarizes fine radiologic normal lung morphology as an aid to effective pulmonary functional imaging.

Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices.

PubMed

Leclerc, Arnaud; Carrington, Tucker

2014-05-07

We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH3CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about 10(20) components and would hence require about 8 × 10(11) GB. With the approach of this paper only 1 GB of memory is necessary. Results for CH3CN agree well with those of a previous calculation on the same potential.

Physics-based elastic image registration using splines and including landmark localization uncertainties.

PubMed

Wörz, Stefan; Rohr, Karl

2006-01-01

We introduce an elastic registration approach which is based on a physical deformation model and uses Gaussian elastic body splines (GEBS). We formulate an extended energy functional related to the Navier equation under Gaussian forces which also includes landmark localization uncertainties. These uncertainties are characterized by weight matrices representing anisotropic errors. Since the approach is based on a physical deformation model, cross-effects in elastic deformations can be taken into account. Moreover, we have a free parameter to control the locality of the transformation for improved registration of local geometric image differences. We demonstrate the applicability of our scheme based on 3D CT images from the Truth Cube experiment, 2D MR images of the brain, as well as 2D gel electrophoresis images. It turns out that the new scheme achieves more accurate results compared to previous approaches.

CONORBIT: constrained optimization by radial basis function interpolation in trust regions

DOE PAGES

Regis, Rommel G.; Wild, Stefan M.

2016-09-26

Here, this paper presents CONORBIT (CONstrained Optimization by Radial Basis function Interpolation in Trust regions), a derivative-free algorithm for constrained black-box optimization where the objective and constraint functions are computationally expensive. CONORBIT employs a trust-region framework that uses interpolating radial basis function (RBF) models for the objective and constraint functions, and is an extension of the ORBIT algorithm. It uses a small margin for the RBF constraint models to facilitate the generation of feasible iterates, and extensive numerical tests confirm that such a margin is helpful in improving performance. CONORBIT is compared with other algorithms on 27 test problems, amore » chemical process optimization problem, and an automotive application. Numerical results show that CONORBIT performs better than COBYLA, a sequential penalty derivative-free method, an augmented Lagrangian method, a direct search method, and another RBF-based algorithm on the test problems and on the automotive application.« less

Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals [On the Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals

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

Mardirossian, Narbe; Ruiz Pestana, Luis; Womack, James C.

The VV10 and rVV10 nonlocal correlation functionals are consistently implemented and assessed, with the goal of determining if the rVV10 nonlocal correlation functional can replace the VV10 nonlocal correlation functional in the recently developed B97M-V density functional, to give the B97M-rV density functional. Along the way, four density functionals are simultaneously tested: VV10, rVV10, B97M-V, and B97M-rV. An initial assessment is carried out across the S22 data set, and the short-range damping variable, b, is varied for all four density functionals in order to determine the sensitivity of the functionals to the empirical parameter. The results of this test indicatemore » that a value of b = 6 (fortuitously the same as that in B97M-V) is suitable for B97M-rV. The functionals are then compared across an extensive database of interaction energies, and it is demonstrated that B97M-rV either matches or outperforms B97M-V for all of the tests considered. Finally, the optimization of b across the S22 data set is extended to two range-separated hybrid density functionals, ωB97X-V and ωB97M-V, and a value of b = 6.2 is recommended for both ωB97X-rV and ωB97M-rV.« less

Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals [On the Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals

DOE PAGES

Mardirossian, Narbe; Ruiz Pestana, Luis; Womack, James C.; ...

2016-12-06

The VV10 and rVV10 nonlocal correlation functionals are consistently implemented and assessed, with the goal of determining if the rVV10 nonlocal correlation functional can replace the VV10 nonlocal correlation functional in the recently developed B97M-V density functional, to give the B97M-rV density functional. Along the way, four density functionals are simultaneously tested: VV10, rVV10, B97M-V, and B97M-rV. An initial assessment is carried out across the S22 data set, and the short-range damping variable, b, is varied for all four density functionals in order to determine the sensitivity of the functionals to the empirical parameter. The results of this test indicatemore » that a value of b = 6 (fortuitously the same as that in B97M-V) is suitable for B97M-rV. The functionals are then compared across an extensive database of interaction energies, and it is demonstrated that B97M-rV either matches or outperforms B97M-V for all of the tests considered. Finally, the optimization of b across the S22 data set is extended to two range-separated hybrid density functionals, ωB97X-V and ωB97M-V, and a value of b = 6.2 is recommended for both ωB97X-rV and ωB97M-rV.« less

Recovery of sparse translation-invariant signals with continuous basis pursuit

PubMed Central

Ekanadham, Chaitanya; Tranchina, Daniel; Simoncelli, Eero

2013-01-01

We consider the problem of decomposing a signal into a linear combination of features, each a continuously translated version of one of a small set of elementary features. Although these constituents are drawn from a continuous family, most current signal decomposition methods rely on a finite dictionary of discrete examples selected from this family (e.g., shifted copies of a set of basic waveforms), and apply sparse optimization methods to select and solve for the relevant coefficients. Here, we generate a dictionary that includes auxiliary interpolation functions that approximate translates of features via adjustment of their coefficients. We formulate a constrained convex optimization problem, in which the full set of dictionary coefficients represents a linear approximation of the signal, the auxiliary coefficients are constrained so as to only represent translated features, and sparsity is imposed on the primary coefficients using an L1 penalty. The basis pursuit denoising (BP) method may be seen as a special case, in which the auxiliary interpolation functions are omitted, and we thus refer to our methodology as continuous basis pursuit (CBP). We develop two implementations of CBP for a one-dimensional translation-invariant source, one using a first-order Taylor approximation, and another using a form of trigonometric spline. We examine the tradeoff between sparsity and signal reconstruction accuracy in these methods, demonstrating empirically that trigonometric CBP substantially outperforms Taylor CBP, which in turn offers substantial gains over ordinary BP. In addition, the CBP bases can generally achieve equally good or better approximations with much coarser sampling than BP, leading to a reduction in dictionary dimensionality. PMID:24352562

Radial basis function and its application in tourism management

NASA Astrophysics Data System (ADS)

Hu, Shan-Feng; Zhu, Hong-Bin; Zhao, Lei

2018-05-01

In this work, several applications and the performances of the radial basis function (RBF) are briefly reviewed at first. After that, the binomial function combined with three different RBFs including the multiquadric (MQ), inverse quadric (IQ) and inverse multiquadric (IMQ) distributions are adopted to model the tourism data of Huangshan in China. Simulation results showed that all the models match very well with the sample data. It is found that among the three models, the IMQ-RBF model is more suitable for forecasting the tourist flow.

Molecular basis for the unique deubiquitinating activity of the NF-kappaB inhibitor A20.

PubMed

Lin, Su-Chang; Chung, Jee Y; Lamothe, Betty; Rajashankar, Kanagalaghatta; Lu, Miao; Lo, Yu-Chih; Lam, Amy Y; Darnay, Bryant G; Wu, Hao

2008-02-15

Nuclear factor kappaB (NF-kappaB) activation in tumor necrosis factor, interleukin-1, and Toll-like receptor pathways requires Lys63-linked nondegradative polyubiquitination. A20 is a specific feedback inhibitor of NF-kappaB activation in these pathways that possesses dual ubiquitin-editing functions. While the N-terminal domain of A20 is a deubiquitinating enzyme (DUB) for Lys63-linked polyubiquitinated signaling mediators such as TRAF6 and RIP, its C-terminal domain is a ubiquitin ligase (E3) for Lys48-linked degradative polyubiquitination of the same substrates. To elucidate the molecular basis for the DUB activity of A20, we determined its crystal structure and performed a series of biochemical and cell biological studies. The structure reveals the potential catalytic mechanism of A20, which may be significantly different from papain-like cysteine proteases. Ubiquitin can be docked onto a conserved A20 surface; this interaction exhibits charge complementarity and no steric clash. Surprisingly, A20 does not have specificity for Lys63-linked polyubiquitin chains. Instead, it effectively removes Lys63-linked polyubiquitin chains from TRAF6 without dissembling the chains themselves. Our studies suggest that A20 does not act as a general DUB but has the specificity for particular polyubiquitinated substrates to assure its fidelity in regulating NF-kappaB activation in the tumor necrosis factor, interleukin-1, and Toll-like receptor pathways.

A new perspective for quintic B-spline based Crank-Nicolson-differential quadrature method algorithm for numerical solutions of the nonlinear Schrödinger equation

NASA Astrophysics Data System (ADS)

Başhan, Ali; Uçar, Yusuf; Murat Yağmurlu, N.; Esen, Alaattin

2018-01-01

In the present paper, a Crank-Nicolson-differential quadrature method (CN-DQM) based on utilizing quintic B-splines as a tool has been carried out to obtain the numerical solutions for the nonlinear Schrödinger (NLS) equation. For this purpose, first of all, the Schrödinger equation has been converted into coupled real value differential equations and then they have been discretized using both the forward difference formula and the Crank-Nicolson method. After that, Rubin and Graves linearization techniques have been utilized and the differential quadrature method has been applied to obtain an algebraic equation system. Next, in order to be able to test the efficiency of the newly applied method, the error norms, L2 and L_{∞}, as well as the two lowest invariants, I1 and I2, have been computed. Besides those, the relative changes in those invariants have been presented. Finally, the newly obtained numerical results have been compared with some of those available in the literature for similar parameters. This comparison clearly indicates that the currently utilized method, namely CN-DQM, is an effective and efficient numerical scheme and allows us to propose to solve a wide range of nonlinear equations.

Recursive Gradient Estimation Using Splines for Navigation of Autonomous Vehicles.

DTIC Science & Technology

1985-07-01

AUTONOMOUS VEHICLES C. N. SHEN DTIC " JULY 1985 SEP 1 219 85 V US ARMY ARMAMENT RESEARCH AND DEVELOPMENT CENTER LARGE CALIBER WEAPON SYSTEMS LABORATORY I...GRADIENT ESTIMATION USING SPLINES FOR NAVIGATION OF AUTONOMOUS VEHICLES Final S. PERFORMING ORG. REPORT NUMBER 7. AUTHOR(q) 8. CONTRACT OR GRANT NUMBER...which require autonomous vehicles . Essential to these robotic vehicles is an adequate and efficient computer vision system. A potentially more

Statistical Surrogate Modeling of Atmospheric Dispersion Events Using Bayesian Adaptive Splines

NASA Astrophysics Data System (ADS)

Francom, D.; Sansó, B.; Bulaevskaya, V.; Lucas, D. D.

2016-12-01

Uncertainty in the inputs of complex computer models, including atmospheric dispersion and transport codes, is often assessed via statistical surrogate models. Surrogate models are computationally efficient statistical approximations of expensive computer models that enable uncertainty analysis. We introduce Bayesian adaptive spline methods for producing surrogate models that capture the major spatiotemporal patterns of the parent model, while satisfying all the necessities of flexibility, accuracy and computational feasibility. We present novel methodological and computational approaches motivated by a controlled atmospheric tracer release experiment conducted at the Diablo Canyon nuclear power plant in California. Traditional methods for building statistical surrogate models often do not scale well to experiments with large amounts of data. Our approach is well suited to experiments involving large numbers of model inputs, large numbers of simulations, and functional output for each simulation. Our approach allows us to perform global sensitivity analysis with ease. We also present an approach to calibration of simulators using field data.

Vector splines on the sphere with application to the estimation of vorticity and divergence from discrete, noisy data

NASA Technical Reports Server (NTRS)

Wahba, G.

1982-01-01

Vector smoothing splines on the sphere are defined. Theoretical properties are briefly alluded to. The appropriate Hilbert space norms used in a specific meteorological application are described and justified via a duality theorem. Numerical procedures for computing the splines as well as the cross validation estimate of two smoothing parameters are given. A Monte Carlo study is described which suggests the accuracy with which upper air vorticity and divergence can be estimated using measured wind vectors from the North American radiosonde network.

Myocardial motion estimation of tagged cardiac magnetic resonance images using tag motion constraints and multi-level b-splines interpolation.

PubMed

Liu, Hong; Yan, Meng; Song, Enmin; Wang, Jie; Wang, Qian; Jin, Renchao; Jin, Lianghai; Hung, Chih-Cheng

2016-05-01

Myocardial motion estimation of tagged cardiac magnetic resonance (TCMR) images is of great significance in clinical diagnosis and the treatment of heart disease. Currently, the harmonic phase analysis method (HARP) and the local sine-wave modeling method (SinMod) have been proven as two state-of-the-art motion estimation methods for TCMR images, since they can directly obtain the inter-frame motion displacement vector field (MDVF) with high accuracy and fast speed. By comparison, SinMod has better performance over HARP in terms of displacement detection, noise and artifacts reduction. However, the SinMod method has some drawbacks: 1) it is unable to estimate local displacements larger than half of the tag spacing; 2) it has observable errors in tracking of tag motion; and 3) the estimated MDVF usually has large local errors. To overcome these problems, we present a novel motion estimation method in this study. The proposed method tracks the motion of tags and then estimates the dense MDVF by using the interpolation. In this new method, a parameter estimation procedure for global motion is applied to match tag intersections between different frames, ensuring specific kinds of large displacements being correctly estimated. In addition, a strategy of tag motion constraints is applied to eliminate most of errors produced by inter-frame tracking of tags and the multi-level b-splines approximation algorithm is utilized, so as to enhance the local continuity and accuracy of the final MDVF. In the estimation of the motion displacement, our proposed method can obtain a more accurate MDVF compared with the SinMod method and our method can overcome the drawbacks of the SinMod method. However, the motion estimation accuracy of our method depends on the accuracy of tag lines detection and our method has a higher time complexity. Copyright © 2015 Elsevier Inc. All rights reserved.

Thin-plate spline analysis of the effects of face mask treatment in children with maxillary retrognathism.

PubMed

Chang, Jenny Zwei-Chieng; Liu, Pao-Hsin; Chen, Yi-Jane; Yao, Jane Chung-Chen; Chang, Hong-Po; Chang, Chih-Han; Chang, Frank Hsin-Fu

2006-02-01

Face mask therapy is indicated for growing patients who suffer from maxillary retrognathia. Most previous studies used conventional cephalometric analysis to evaluate the effects of face mask treatment. Cephalometric analysis has been shown to be insufficient for complex craniofacial configurations. The purpose of this study was to investigate changes in the craniofacial structure of children with maxillary retrognathism following face mask treatment by means of thin-plate spline analysis. Thirty children with skeletal Class III malocclusions who had been treated with face masks were compared with a group of 30 untreated gender-matched, age-matched, observation period-matched, and craniofacial configuration-matched subjects. Average geometries, scaled to an equivalent size, were generated by means of Procrustes analysis. Thin-plate spline analysis was then performed for localization of the shape changes. Face mask treatment induced a forward displacement of the maxilla, a counterclockwise rotation of the palatal plane, a horizontal compression of the anterior border of the symphysis and the condylar region, and a downward deformation of the menton. The cranial base exhibited a counterclockwise deformation as a whole. We conclude that thin-plate spline analysis is a valuable supplement to conventional cephalometric analysis.

Estimation of Subpixel Snow-Covered Area by Nonparametric Regression Splines

NASA Astrophysics Data System (ADS)

Kuter, S.; Akyürek, Z.; Weber, G.-W.

2016-10-01

Measurement of the areal extent of snow cover with high accuracy plays an important role in hydrological and climate modeling. Remotely-sensed data acquired by earth-observing satellites offer great advantages for timely monitoring of snow cover. However, the main obstacle is the tradeoff between temporal and spatial resolution of satellite imageries. Soft or subpixel classification of low or moderate resolution satellite images is a preferred technique to overcome this problem. The most frequently employed snow cover fraction methods applied on Moderate Resolution Imaging Spectroradiometer (MODIS) data have evolved from spectral unmixing and empirical Normalized Difference Snow Index (NDSI) methods to latest machine learning-based artificial neural networks (ANNs). This study demonstrates the implementation of subpixel snow-covered area estimation based on the state-of-the-art nonparametric spline regression method, namely, Multivariate Adaptive Regression Splines (MARS). MARS models were trained by using MODIS top of atmospheric reflectance values of bands 1-7 as predictor variables. Reference percentage snow cover maps were generated from higher spatial resolution Landsat ETM+ binary snow cover maps. A multilayer feed-forward ANN with one hidden layer trained with backpropagation was also employed to estimate the percentage snow-covered area on the same data set. The results indicated that the developed MARS model performed better than th

Restoring canonical partition functions from imaginary chemical potential

NASA Astrophysics Data System (ADS)

Bornyakov, V. G.; Boyda, D.; Goy, V.; Molochkov, A.; Nakamura, A.; Nikolaev, A.; Zakharov, V. I.

2018-03-01

Using GPGPU techniques and multi-precision calculation we developed the code to study QCD phase transition line in the canonical approach. The canonical approach is a powerful tool to investigate sign problem in Lattice QCD. The central part of the canonical approach is the fugacity expansion of the grand canonical partition functions. Canonical partition functions Zn(T) are coefficients of this expansion. Using various methods we study properties of Zn(T). At the last step we perform cubic spline for temperature dependence of Zn(T) at fixed n and compute baryon number susceptibility χB/T2 as function of temperature. After that we compute numerically ∂χ/∂T and restore crossover line in QCD phase diagram. We use improved Wilson fermions and Iwasaki gauge action on the 163 × 4 lattice with mπ/mρ = 0.8 as a sandbox to check the canonical approach. In this framework we obtain coefficient in parametrization of crossover line Tc(µ2B) = Tc(C-ĸµ2B/T2c) with ĸ = -0.0453 ± 0.0099.

Free Vibration Study of Anti-Symmetric Angle-Ply Laminated Plates under Clamped Boundary Conditions

NASA Astrophysics Data System (ADS)

Viswanathan, K. K.; Karthik, K.; Sanyasiraju, Y. V. S. S.; Aziz, Z. A.

2016-11-01

Two type of numerical approach namely, Radial Basis Function and Spline approximation, used to analyse the free vibration of anti-symmetric angle-ply laminated plates under clamped boundary conditions. The equations of motion are derived using YNS theory under first order shear deformation. By assuming the solution in separable form, coupled differential equations obtained in term of mid-plane displacement and rotational functions. The coupled differential is then approximated using Spline function and radial basis function to obtain the generalize eigenvalue problem and parametric studies are made to investigate the effect of aspect ratio, length-to-thickness ratio, number of layers, fibre orientation and material properties with respect to the frequency parameter. Some results are compared with the existing literature and other new results are given in tables and graphs.

17 CFR 240.10b5-1 - Trading “on the basis of” material nonpublic information in insider trading cases.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 17 Commodity and Securities Exchanges 3 2011-04-01 2011-04-01 false Trading âon the basis ofâ material nonpublic information in insider trading cases. 240.10b5-1 Section 240.10b5-1 Commodity and... Deceptive Devices and Contrivances § 240.10b5-1 Trading “on the basis of” material nonpublic information in...

17 CFR 240.10b5-1 - Trading “on the basis of” material nonpublic information in insider trading cases.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 17 Commodity and Securities Exchanges 4 2014-04-01 2014-04-01 false Trading âon the basis ofâ material nonpublic information in insider trading cases. 240.10b5-1 Section 240.10b5-1 Commodity and... Deceptive Devices and Contrivances § 240.10b5-1 Trading “on the basis of” material nonpublic information in...

17 CFR 240.10b5-1 - Trading “on the basis of” material nonpublic information in insider trading cases.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 17 Commodity and Securities Exchanges 3 2013-04-01 2013-04-01 false Trading âon the basis ofâ material nonpublic information in insider trading cases. 240.10b5-1 Section 240.10b5-1 Commodity and... Deceptive Devices and Contrivances § 240.10b5-1 Trading “on the basis of” material nonpublic information in...

17 CFR 240.10b5-1 - Trading “on the basis of” material nonpublic information in insider trading cases.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 17 Commodity and Securities Exchanges 3 2012-04-01 2012-04-01 false Trading âon the basis ofâ material nonpublic information in insider trading cases. 240.10b5-1 Section 240.10b5-1 Commodity and... Deceptive Devices and Contrivances § 240.10b5-1 Trading “on the basis of” material nonpublic information in...

Spline Approximation of Thin Shell Dynamics

NASA Technical Reports Server (NTRS)

delRosario, R. C. H.; Smith, R. C.

1996-01-01

A spline-based method for approximating thin shell dynamics is presented here. While the method is developed in the context of the Donnell-Mushtari thin shell equations, it can be easily extended to the Byrne-Flugge-Lur'ye equations or other models for shells of revolution as warranted by applications. The primary requirements for the method include accuracy, flexibility and efficiency in smart material applications. To accomplish this, the method was designed to be flexible with regard to boundary conditions, material nonhomogeneities due to sensors and actuators, and inputs from smart material actuators such as piezoceramic patches. The accuracy of the method was also of primary concern, both to guarantee full resolution of structural dynamics and to facilitate the development of PDE-based controllers which ultimately require real-time implementation. Several numerical examples provide initial evidence demonstrating the efficacy of the method.

Multivariate adaptive regression splines analysis to predict biomarkers of spontaneous preterm birth.

PubMed

Menon, Ramkumar; Bhat, Geeta; Saade, George R; Spratt, Heidi

2014-04-01

To develop classification models of demographic/clinical factors and biomarker data from spontaneous preterm birth in African Americans and Caucasians. Secondary analysis of biomarker data using multivariate adaptive regression splines (MARS), a supervised machine learning algorithm method. Analysis of data on 36 biomarkers from 191 women was reduced by MARS to develop predictive models for preterm birth in African Americans and Caucasians. Maternal plasma, cord plasma collected at admission for preterm or term labor and amniotic fluid at delivery. Data were partitioned into training and testing sets. Variable importance, a relative indicator (0-100%) and area under the receiver operating characteristic curve (AUC) characterized results. Multivariate adaptive regression splines generated models for combined and racially stratified biomarker data. Clinical and demographic data did not contribute to the model. Racial stratification of data produced distinct models in all three compartments. In African Americans maternal plasma samples IL-1RA, TNF-α, angiopoietin 2, TNFRI, IL-5, MIP1α, IL-1β and TGF-α modeled preterm birth (AUC train: 0.98, AUC test: 0.86). In Caucasians TNFR1, ICAM-1 and IL-1RA contributed to the model (AUC train: 0.84, AUC test: 0.68). African Americans cord plasma samples produced IL-12P70, IL-8 (AUC train: 0.82, AUC test: 0.66). Cord plasma in Caucasians modeled IGFII, PDGFBB, TGF-β1 , IL-12P70, and TIMP1 (AUC train: 0.99, AUC test: 0.82). Amniotic fluid in African Americans modeled FasL, TNFRII, RANTES, KGF, IGFI (AUC train: 0.95, AUC test: 0.89) and in Caucasians, TNF-α, MCP3, TGF-β3 , TNFR1 and angiopoietin 2 (AUC train: 0.94 AUC test: 0.79). Multivariate adaptive regression splines models multiple biomarkers associated with preterm birth and demonstrated racial disparity. © 2014 Nordic Federation of Societies of Obstetrics and Gynecology.

Evaluation of Interpolation Effects on Upsampling and Accuracy of Cost Functions-Based Optimized Automatic Image Registration

PubMed Central

Mahmoudzadeh, Amir Pasha; Kashou, Nasser H.

2013-01-01

Interpolation has become a default operation in image processing and medical imaging and is one of the important factors in the success of an intensity-based registration method. Interpolation is needed if the fractional unit of motion is not matched and located on the high resolution (HR) grid. The purpose of this work is to present a systematic evaluation of eight standard interpolation techniques (trilinear, nearest neighbor, cubic Lagrangian, quintic Lagrangian, hepatic Lagrangian, windowed Sinc, B-spline 3rd order, and B-spline 4th order) and to compare the effect of cost functions (least squares (LS), normalized mutual information (NMI), normalized cross correlation (NCC), and correlation ratio (CR)) for optimized automatic image registration (OAIR) on 3D spoiled gradient recalled (SPGR) magnetic resonance images (MRI) of the brain acquired using a 3T GE MR scanner. Subsampling was performed in the axial, sagittal, and coronal directions to emulate three low resolution datasets. Afterwards, the low resolution datasets were upsampled using different interpolation methods, and they were then compared to the high resolution data. The mean squared error, peak signal to noise, joint entropy, and cost functions were computed for quantitative assessment of the method. Magnetic resonance image scans and joint histogram were used for qualitative assessment of the method. PMID:24000283

Evaluation of interpolation effects on upsampling and accuracy of cost functions-based optimized automatic image registration.

PubMed

Mahmoudzadeh, Amir Pasha; Kashou, Nasser H

2013-01-01

Interpolation has become a default operation in image processing and medical imaging and is one of the important factors in the success of an intensity-based registration method. Interpolation is needed if the fractional unit of motion is not matched and located on the high resolution (HR) grid. The purpose of this work is to present a systematic evaluation of eight standard interpolation techniques (trilinear, nearest neighbor, cubic Lagrangian, quintic Lagrangian, hepatic Lagrangian, windowed Sinc, B-spline 3rd order, and B-spline 4th order) and to compare the effect of cost functions (least squares (LS), normalized mutual information (NMI), normalized cross correlation (NCC), and correlation ratio (CR)) for optimized automatic image registration (OAIR) on 3D spoiled gradient recalled (SPGR) magnetic resonance images (MRI) of the brain acquired using a 3T GE MR scanner. Subsampling was performed in the axial, sagittal, and coronal directions to emulate three low resolution datasets. Afterwards, the low resolution datasets were upsampled using different interpolation methods, and they were then compared to the high resolution data. The mean squared error, peak signal to noise, joint entropy, and cost functions were computed for quantitative assessment of the method. Magnetic resonance image scans and joint histogram were used for qualitative assessment of the method.

Quiet Clean Short-haul Experimental Engine (QCSEE). Ball spline pitch change mechanism design report

NASA Technical Reports Server (NTRS)

1978-01-01

Detailed design parameters are presented for a variable-pitch change mechanism. The mechanism is a mechanical system containing a ball screw/spline driving two counteracting master bevel gears meshing pinion gears attached to each of 18 fan blades.

New Basis Functions for the Electromagnetic Solution of Arbitrarily-shaped, Three Dimensional Conducting Bodies using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2008-01-01

In this work, we present a new set of basis functions, defined over a pair of planar triangular patches, for the solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped surfaces using the method of moments solution procedure. The basis functions are constant over the function subdomain and resemble pulse functions for one and two dimensional problems. Further, another set of basis functions, point-wise orthogonal to the first set, is also defined over the same function space. The primary objective of developing these basis functions is to utilize them for the electromagnetic solution involving conducting, dielectric, and composite bodies. However, in the present work, only the conducting body solution is presented and compared with other data.

Fuzzy topological digital space and digital fuzzy spline of electroencephalography during epileptic seizures

NASA Astrophysics Data System (ADS)

Shah, Mazlina Muzafar; Wahab, Abdul Fatah

2017-08-01

Epilepsy disease occurs because of there is a temporary electrical disturbance in a group of brain cells (nurons). The recording of electrical signals come from the human brain which can be collected from the scalp of the head is called Electroencephalography (EEG). EEG then considered in digital format and in fuzzy form makes it a fuzzy digital space data form. The purpose of research is to identify the area (curve and surface) in fuzzy digital space affected by inside epilepsy seizure in epileptic patient's brain. The main focus for this research is to generalize fuzzy topological digital space, definition and basic operation also the properties by using digital fuzzy set and the operations. By using fuzzy digital space, the theory of digital fuzzy spline can be introduced to replace grid data that has been use previously to get better result. As a result, the flat of EEG can be fuzzy topological digital space and this type of data can be use to interpolate the digital fuzzy spline.

Trends in stratospheric ozone profiles using functional mixed models

NASA Astrophysics Data System (ADS)

Park, A.; Guillas, S.; Petropavlovskikh, I.

2013-11-01

This paper is devoted to the modeling of altitude-dependent patterns of ozone variations over time. Umkehr ozone profiles (quarter of Umkehr layer) from 1978 to 2011 are investigated at two locations: Boulder (USA) and Arosa (Switzerland). The study consists of two statistical stages. First we approximate ozone profiles employing an appropriate basis. To capture primary modes of ozone variations without losing essential information, a functional principal component analysis is performed. It penalizes roughness of the function and smooths excessive variations in the shape of the ozone profiles. As a result, data-driven basis functions (empirical basis functions) are obtained. The coefficients (principal component scores) corresponding to the empirical basis functions represent dominant temporal evolution in the shape of ozone profiles. We use those time series coefficients in the second statistical step to reveal the important sources of the patterns and variations in the profiles. We estimate the effects of covariates - month, year (trend), quasi-biennial oscillation, the solar cycle, the Arctic oscillation, the El Niño/Southern Oscillation cycle and the Eliassen-Palm flux - on the principal component scores of ozone profiles using additive mixed effects models. The effects are represented as smooth functions and the smooth functions are estimated by penalized regression splines. We also impose a heteroscedastic error structure that reflects the observed seasonality in the errors. The more complex error structure enables us to provide more accurate estimates of influences and trends, together with enhanced uncertainty quantification. Also, we are able to capture fine variations in the time evolution of the profiles, such as the semi-annual oscillation. We conclude by showing the trends by altitude over Boulder and Arosa, as well as for total column ozone. There are great variations in the trends across altitudes, which highlights the benefits of modeling ozone

Structural Basis for Selective Inhibition of Mycobacterium tuberculosis Protein Tyrosine Phosphatase PtpB

PubMed Central

Grundner, Christoph; Perrin, Dominique; van Huijsduijnen, Rob Hooft; Swinnen, Dominique; Gonzalez, Jérome; Gee, Christine L.; Wells, Timothy N.; Alber, Tom

2007-01-01

Tyrosine kinases and phosphatases establish the crucial balance of tyrosine phosphorylation in cellular signaling, but creating specific inhibitors of protein Tyr phosphatases (PTPs) remains a challenge. Here we report the development of a potent, selective inhibitor of Mycobacterium tuberculosis PtpB, a bacterial PTP that is secreted into host cells where it disrupts unidentified signaling pathways. The inhibitor, (oxalylamino-methylene)-thiophene sulfonamide (OMTS), showed an IC50 of 440 +/− 50 nM and >60-fold specificity for PtpB over six human PTPs. The 2-Å resolution crystal structure of PtpB in complex with OMTS revealed a large rearrangement of the enzyme, with some residues shifting >27 Å relative to the PtpB:PO4 complex. Extensive contacts with the catalytic loop provide a potential basis for inhibitor selectivity. Two OMTS molecules bound adjacent to each other, raising the possibility of a second substrate phosphotyrosine binding site in PtpB. The PtpB:OMTS structure provides an unanticipated framework to guide inhibitor improvement. PMID:17437721

Functional analysis of the OCA-B promoter.

PubMed

Stevens, S; Wang, L; Roeder, R G

2000-06-15

OCA-B was identified as a B cell-specific coactivator that functions with either Oct-1 or Oct-2 to mediate efficient cell type-specific transcription via the octamer site (ATGCAAAT) both in vivo and in vitro. Mice lacking OCA-B exhibit normal Ag-independent B cell maturation. In contrast, Ag-dependent functions, including production of secondary Ig isotypes and germinal center formation, are greatly affected. To better understand OCA-B expression and, ultimately, the defects observed in the OCA-B knockout mice, we have cloned the OCA-B promoter and examined its function in both transformed and primary B cells. We show here that the OCA-B promoter is developmentally regulated, with activity increasing throughout B cell differentiation. Through physical and functional assays, we have found an activating transcription factor/cAMP response element binding protein binding site (or cAMP response element) that is crucial for OCA-B promoter activity. Furthermore, we demonstrate that IL-4 and anti-CD40 induce both the OCA-B promoter and octamer-dependent promoters, thus implicating OCA-B in B cell signaling events in the nucleus.

Testing Multivariate Adaptive Regression Splines (MARS) as a Method of Land Cover Classification of TERRA-ASTER Satellite Images.

PubMed

Quirós, Elia; Felicísimo, Angel M; Cuartero, Aurora

2009-01-01

This work proposes a new method to classify multi-spectral satellite images based on multivariate adaptive regression splines (MARS) and compares this classification system with the more common parallelepiped and maximum likelihood (ML) methods. We apply the classification methods to the land cover classification of a test zone located in southwestern Spain. The basis of the MARS method and its associated procedures are explained in detail, and the area under the ROC curve (AUC) is compared for the three methods. The results show that the MARS method provides better results than the parallelepiped method in all cases, and it provides better results than the maximum likelihood method in 13 cases out of 17. These results demonstrate that the MARS method can be used in isolation or in combination with other methods to improve the accuracy of soil cover classification. The improvement is statistically significant according to the Wilcoxon signed rank test.

Robust reconstruction of B1 (+) maps by projection into a spherical functions space.

PubMed

Sbrizzi, Alessandro; Hoogduin, Hans; Lagendijk, Jan J; Luijten, Peter; van den Berg, Cornelis A T

2014-01-01

Several parallel transmit MRI techniques require knowledge of the transmit radiofrequency field profiles (B1 (+) ). During the past years, various methods have been developed to acquire this information. Often, these methods suffer from long measurement times and produce maps exhibiting regions with poor signal-to-noise ratio and artifacts. In this article, a model-based reconstruction procedure is introduced that improves the robustness of B1 (+) mapping. The missing information from undersampled B1 (+) maps and the regions of poor signal to noise ratio are reconstructed through projection into the space of spherical functions that arise naturally from the solution of the Helmholtz equations in the spherical coordinate system. As a result, B1 (+) data over a limited range of the field of view/volume is sufficient to reconstruct the B1 (+) over the full spatial domain in a fast and robust way. The same model is exploited to filter the noise of the measured maps. Results from simulations and in vivo measurements confirm the validity of the proposed method. A spherical functions model can well approximate the magnetic fields inside the body with few basis terms. Exploiting this compression capability, B1 (+) maps are reconstructed in regions of unknown or corrupted values. Copyright © 2013 Wiley Periodicals, Inc.

New Basis Functions for the Electromagnetic Solution of Arbitrarily-shaped, Three Dimensional Conducting Bodies Using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2007-01-01

In this work, we present a new set of basis functions, de ned over a pair of planar triangular patches, for the solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped surfaces using the method of moments solution procedure. The basis functions are constant over the function subdomain and resemble pulse functions for one and two dimensional problems. Further, another set of basis functions, point-wise orthogonal to the first set, is also de ned over the same function space. The primary objective of developing these basis functions is to utilize them for the electromagnetic solution involving conducting, dielectric, and composite bodies. However, in the present work, only the conducting body solution is presented and compared with other data.

Random regression models using Legendre polynomials or linear splines for test-day milk yield of dairy Gyr (Bos indicus) cattle.

PubMed

Pereira, R J; Bignardi, A B; El Faro, L; Verneque, R S; Vercesi Filho, A E; Albuquerque, L G

2013-01-01

Studies investigating the use of random regression models for genetic evaluation of milk production in Zebu cattle are scarce. In this study, 59,744 test-day milk yield records from 7,810 first lactations of purebred dairy Gyr (Bos indicus) and crossbred (dairy Gyr × Holstein) cows were used to compare random regression models in which additive genetic and permanent environmental effects were modeled using orthogonal Legendre polynomials or linear spline functions. Residual variances were modeled considering 1, 5, or 10 classes of days in milk. Five classes fitted the changes in residual variances over the lactation adequately and were used for model comparison. The model that fitted linear spline functions with 6 knots provided the lowest sum of residual variances across lactation. On the other hand, according to the deviance information criterion (DIC) and bayesian information criterion (BIC), a model using third-order and fourth-order Legendre polynomials for additive genetic and permanent environmental effects, respectively, provided the best fit. However, the high rank correlation (0.998) between this model and that applying third-order Legendre polynomials for additive genetic and permanent environmental effects, indicates that, in practice, the same bulls would be selected by both models. The last model, which is less parameterized, is a parsimonious option for fitting dairy Gyr breed test-day milk yield records. Copyright © 2013 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Application of Semiparametric Spline Regression Model in Analyzing Factors that In uence Population Density in Central Java

NASA Astrophysics Data System (ADS)

Sumantari, Y. D.; Slamet, I.; Sugiyanto

2017-06-01

Semiparametric regression is a statistical analysis method that consists of parametric and nonparametric regression. There are various approach techniques in nonparametric regression. One of the approach techniques is spline. Central Java is one of the most densely populated province in Indonesia. Population density in this province can be modeled by semiparametric regression because it consists of parametric and nonparametric component. Therefore, the purpose of this paper is to determine the factors that in uence population density in Central Java using the semiparametric spline regression model. The result shows that the factors which in uence population density in Central Java is Family Planning (FP) active participants and district minimum wage.

Advanced Test Reactor Safety Basis Upgrade Lessons Learned Relative to Design Basis Verification and Safety Basis Management

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

G. L. Sharp; R. T. McCracken

The Advanced Test Reactor (ATR) is a pressurized light-water reactor with a design thermal power of 250 MW. The principal function of the ATR is to provide a high neutron flux for testing reactor fuels and other materials. The reactor also provides other irradiation services such as radioisotope production. The ATR and its support facilities are located at the Test Reactor Area of the Idaho National Engineering and Environmental Laboratory (INEEL). An audit conducted by the Department of Energy's Office of Independent Oversight and Performance Assurance (DOE OA) raised concerns that design conditions at the ATR were not adequately analyzedmore » in the safety analysis and that legacy design basis management practices had the potential to further impact safe operation of the facility.1 The concerns identified by the audit team, and issues raised during additional reviews performed by ATR safety analysts, were evaluated through the unreviewed safety question process resulting in shutdown of the ATR for more than three months while these concerns were resolved. Past management of the ATR safety basis, relative to facility design basis management and change control, led to concerns that discrepancies in the safety basis may have developed. Although not required by DOE orders or regulations, not performing design basis verification in conjunction with development of the 10 CFR 830 Subpart B upgraded safety basis allowed these potential weaknesses to be carried forward. Configuration management and a clear definition of the existing facility design basis have a direct relation to developing and maintaining a high quality safety basis which properly identifies and mitigates all hazards and postulated accident conditions. These relations and the impact of past safety basis management practices have been reviewed in order to identify lessons learned from the safety basis upgrade process and appropriate actions to resolve possible concerns with respect to the current ATR

Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: Dispersion, induction, and basis set superposition error

NASA Astrophysics Data System (ADS)

Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.

2012-10-01

We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.

Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: dispersion, induction, and basis set superposition error.

PubMed

Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T; Dannenberg, J J

2012-10-07

We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states.

Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: Dispersion, induction, and basis set superposition error

PubMed Central

Roy, Dipankar; Marianski, Mateusz; Maitra, Neepa T.; Dannenberg, J. J.

2012-01-01

We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show that the functionals do not generally follow the expected trends in interaction energies, basis set superposition errors (BSSE), and interaction distances as a function of basis set size. The functionals parameterized to treat dispersion interactions often overestimate these interactions, sometimes by quite a lot, when compared to higher level calculations. Which functionals work best depends upon the examples chosen. The B3LYP and X3LYP functionals, which do not describe pure dispersion interactions, appear to describe dispersion mixed with induction about as accurately as those parametrized to treat dispersion. We observed significant differences in high-level wavefunction calculations in a basis set larger than those used to generate the structures in many of the databases. We discuss the implications for highly parameterized functionals based on these databases, as well as the use of simple potential energy for fitting the parameters rather than experimentally determinable thermodynamic state functions that involve consideration of vibrational states. PMID:23039587

Structural basis for methylesterase CheB regulation by a phosphorylation-activated domain

PubMed Central

Djordjevic, Snezana; Goudreau, Paul N.; Xu, Qingping; Stock, Ann M.; West, Ann H.

1998-01-01

We report the x-ray crystal structure of the methylesterase CheB, a phosphorylation-activated response regulator involved in reversible modification of bacterial chemotaxis receptors. Methylesterase CheB and methyltransferase CheR modulate signaling output of the chemotaxis receptors by controlling the level of receptor methylation. The structure of CheB, which consists of an N-terminal regulatory domain and a C-terminal catalytic domain joined by a linker, was solved by molecular replacement methods using independent search models for the two domains. In unphosphorylated CheB, the N-terminal domain packs against the active site of the C-terminal domain and thus inhibits methylesterase activity by directly restricting access to the active site. We propose that phosphorylation of CheB induces a conformational change in the regulatory domain that disrupts the domain interface, resulting in a repositioning of the domains and allowing access to the active site. Structural similarity between the two companion receptor modification enzymes, CheB and CheR, suggests an evolutionary and/or functional relationship. Specifically, the phosphorylated N-terminal domain of CheB may facilitate interaction with the receptors, similar to the postulated role of the N-terminal domain of CheR. Examination of surfaces in the N-terminal regulatory domain of CheB suggests that despite a common fold throughout the response regulator family, surfaces used for protein–protein interactions differ significantly. Comparison between CheB and other response regulators indicates that analogous surfaces are used for different functions and conversely, similar functions are mediated by different molecular surfaces. PMID:9465023

Thin-plate spline analysis of the cranial base in subjects with Class III malocclusion.

PubMed

Singh, G D; McNamara, J A; Lozanoff, S

1997-08-01

The role of the cranial base in the emergence of Class III malocclusion is not fully understood. This study determines deformations that contribute to a Class III cranial base morphology, employing thin-plate spline analysis on lateral cephalographs. A total of 73 children of European-American descent aged between 5 and 11 years of age with Class III malocclusion were compared with an equivalent group of subjects with a normal, untreated, Class I molar occlusion. The cephalographs were traced, checked and subdivided into seven age- and sex-matched groups. Thirteen points on the cranial base were identified and digitized. The datasets were scaled to an equivalent size, and statistical analysis indicated significant differences between average Class I and Class III cranial base morphologies for each group. Thin-plate spline analysis indicated that both affine (uniform) and non-affine transformations contribute toward the total spline for each average cranial base morphology at each age group analysed. For non-affine transformations, Partial warps 10, 8 and 7 had high magnitudes, indicating large-scale deformations affecting Bolton point, basion, pterygo-maxillare, Ricketts' point and articulare. In contrast, high eigenvalues associated with Partial warps 1-3, indicating localized shape changes, were found at tuberculum sellae, sella, and the frontonasomaxillary suture. It is concluded that large spatial-scale deformations affect the occipital complex of the cranial base and sphenoidal region, in combination with localized distortions at the frontonasal suture. These deformations may contribute to reduced orthocephalization or deficient flattening of the cranial base antero-posteriorly that, in turn, leads to the formation of a Class III malocclusion.

Application of thin plate splines for accurate regional ionosphere modeling with multi-GNSS data

NASA Astrophysics Data System (ADS)

Krypiak-Gregorczyk, Anna; Wielgosz, Pawel; Borkowski, Andrzej

2016-04-01

GNSS-derived regional ionosphere models are widely used in both precise positioning, ionosphere and space weather studies. However, their accuracy is often not sufficient to support precise positioning, RTK in particular. In this paper, we presented new approach that uses solely carrier phase multi-GNSS observables and thin plate splines (TPS) for accurate ionospheric TEC modeling. TPS is a closed solution of a variational problem minimizing both the sum of squared second derivatives of a smoothing function and the deviation between data points and this function. This approach is used in UWM-rt1 regional ionosphere model developed at UWM in Olsztyn. The model allows for providing ionospheric TEC maps with high spatial and temporal resolutions - 0.2x0.2 degrees and 2.5 minutes, respectively. For TEC estimation, EPN and EUPOS reference station data is used. The maps are available with delay of 15-60 minutes. In this paper we compare the performance of UWM-rt1 model with IGS global and CODE regional ionosphere maps during ionospheric storm that took place on March 17th, 2015. During this storm, the TEC level over Europe doubled comparing to earlier quiet days. The performance of the UWM-rt1 model was validated by (a) comparison to reference double-differenced ionospheric corrections over selected baselines, and (b) analysis of post-fit residuals to calibrated carrier phase geometry-free observational arcs at selected test stations. The results show a very good performance of UWM-rt1 model. The obtained post-fit residuals in case of UWM maps are lower by one order of magnitude comparing to IGS maps. The accuracy of UWM-rt1 -derived TEC maps is estimated at 0.5 TECU. This may be directly translated to the user positioning domain.

Hierarchical and successive approximate registration of the non-rigid medical image based on thin-plate splines

NASA Astrophysics Data System (ADS)

Hu, Jinyan; Li, Li; Yang, Yunfeng

2017-06-01

The hierarchical and successive approximate registration method of non-rigid medical image based on the thin-plate splines is proposed in the paper. There are two major novelties in the proposed method. First, the hierarchical registration based on Wavelet transform is used. The approximate image of Wavelet transform is selected as the registered object. Second, the successive approximation registration method is used to accomplish the non-rigid medical images registration, i.e. the local regions of the couple images are registered roughly based on the thin-plate splines, then, the current rough registration result is selected as the object to be registered in the following registration procedure. Experiments show that the proposed method is effective in the registration process of the non-rigid medical images.

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

PubMed

Zhu, Wuming; Trickey, S B

2017-12-28

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

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

NASA Astrophysics Data System (ADS)

Zhu, Wuming; Trickey, S. B.

2017-12-01

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

Fast function-on-scalar regression with penalized basis expansions.

PubMed

Reiss, Philip T; Huang, Lei; Mennes, Maarten

2010-01-01

Regression models for functional responses and scalar predictors are often fitted by means of basis functions, with quadratic roughness penalties applied to avoid overfitting. The fitting approach described by Ramsay and Silverman in the 1990 s amounts to a penalized ordinary least squares (P-OLS) estimator of the coefficient functions. We recast this estimator as a generalized ridge regression estimator, and present a penalized generalized least squares (P-GLS) alternative. We describe algorithms by which both estimators can be implemented, with automatic selection of optimal smoothing parameters, in a more computationally efficient manner than has heretofore been available. We discuss pointwise confidence intervals for the coefficient functions, simultaneous inference by permutation tests, and model selection, including a novel notion of pointwise model selection. P-OLS and P-GLS are compared in a simulation study. Our methods are illustrated with an analysis of age effects in a functional magnetic resonance imaging data set, as well as a reanalysis of a now-classic Canadian weather data set. An R package implementing the methods is publicly available.

Examination of influential observations in penalized spline regression

NASA Astrophysics Data System (ADS)

Türkan, Semra

2013-10-01

In parametric or nonparametric regression models, the results of regression analysis are affected by some anomalous observations in the data set. Thus, detection of these observations is one of the major steps in regression analysis. These observations are precisely detected by well-known influence measures. Pena's statistic is one of them. In this study, Pena's approach is formulated for penalized spline regression in terms of ordinary residuals and leverages. The real data and artificial data are used to see illustrate the effectiveness of Pena's statistic as to Cook's distance on detecting influential observations. The results of the study clearly reveal that the proposed measure is superior to Cook's Distance to detect these observations in large data set.

Characterizing and Understanding the Remarkably Slow Basis Set Convergence of Several Minnesota Density Functionals for Intermolecular Interaction Energies

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

Mardirossian, Narbe; Head-Gordon, Martin

2013-08-22

For a set of eight equilibrium intermolecular complexes, it is discovered in this paper that the basis set limit (BSL) cannot be reached by aug-cc-pV5Z for three of the Minnesota density functionals: M06-L, M06-HF, and M11-L. In addition, the M06 and M11 functionals exhibit substantial, but less severe, difficulties in reaching the BSL. By using successively finer grids, it is demonstrated that this issue is not related to the numerical integration of the exchange-correlation functional. In addition, it is shown that the difficulty in reaching the BSL is not a direct consequence of the structure of the augmented functions inmore » Dunning’s basis sets, since modified augmentation yields similar results. By using a very large custom basis set, the BSL appears to be reached for the HF dimer for all of the functionals. As a result, it is concluded that the difficulties faced by several of the Minnesota density functionals are related to an interplay between the form of these functionals and the structure of standard basis sets. It is speculated that the difficulty in reaching the basis set limit is related to the magnitude of the inhomogeneity correction factor (ICF) of the exchange functional. A simple modification of the M06-L exchange functional that systematically reduces the basis set superposition error (BSSE) for the HF dimer in the aug-cc-pVQZ basis set is presented, further supporting the speculation that the difficulty in reaching the BSL is caused by the magnitude of the exchange functional ICF. In conclusion, the BSSE is plotted with respect to the internuclear distance of the neon dimer for two of the examined functionals.« less

Adaptation of a cubic smoothing spline algortihm for multi-channel data stitching at the National Ignition Facility

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

Brown, C; Adcock, A; Azevedo, S

2010-12-28

Some diagnostics at the National Ignition Facility (NIF), including the Gamma Reaction History (GRH) diagnostic, require multiple channels of data to achieve the required dynamic range. These channels need to be stitched together into a single time series, and they may have non-uniform and redundant time samples. We chose to apply the popular cubic smoothing spline technique to our stitching problem because we needed a general non-parametric method. We adapted one of the algorithms in the literature, by Hutchinson and deHoog, to our needs. The modified algorithm and the resulting code perform a cubic smoothing spline fit to multiple datamore » channels with redundant time samples and missing data points. The data channels can have different, time-varying, zero-mean white noise characteristics. The method we employ automatically determines an optimal smoothing level by minimizing the Generalized Cross Validation (GCV) score. In order to automatically validate the smoothing level selection, the Weighted Sum-Squared Residual (WSSR) and zero-mean tests are performed on the residuals. Further, confidence intervals, both analytical and Monte Carlo, are also calculated. In this paper, we describe the derivation of our cubic smoothing spline algorithm. We outline the algorithm and test it with simulated and experimental data.« less

Estimating mutual information using B-spline functions – an improved similarity measure for analysing gene expression data

PubMed Central

Daub, Carsten O; Steuer, Ralf; Selbig, Joachim; Kloska, Sebastian

2004-01-01

Background The information theoretic concept of mutual information provides a general framework to evaluate dependencies between variables. In the context of the clustering of genes with similar patterns of expression it has been suggested as a general quantity of similarity to extend commonly used linear measures. Since mutual information is defined in terms of discrete variables, its application to continuous data requires the use of binning procedures, which can lead to significant numerical errors for datasets of small or moderate size. Results In this work, we propose a method for the numerical estimation of mutual information from continuous data. We investigate the characteristic properties arising from the application of our algorithm and show that our approach outperforms commonly used algorithms: The significance, as a measure of the power of distinction from random correlation, is significantly increased. This concept is subsequently illustrated on two large-scale gene expression datasets and the results are compared to those obtained using other similarity measures. A C++ source code of our algorithm is available for non-commercial use from kloska@scienion.de upon request. Conclusion The utilisation of mutual information as similarity measure enables the detection of non-linear correlations in gene expression datasets. Frequently applied linear correlation measures, which are often used on an ad-hoc basis without further justification, are thereby extended. PMID:15339346

An investigation of angular stiffness and damping coefficients of an axial spline coupling in high-speed rotating machinery

NASA Technical Reports Server (NTRS)

Ku, C.-P. Roger; Walton, James F., Jr.; Lund, Jorgen W.

1994-01-01

This paper provided an opportunity to quantify the angular stiffness and equivalent viscous damping coefficients of an axial spline coupling used in high-speed turbomachinery. A unique test methodology and data reduction procedures were developed. The bending moments and angular deflections transmitted across an axial spline coupling were measured while a nonrotating shaft was excited by an external shaker. A rotor dynamics computer program was used to simulate the test conditions and to correlate the angular stiffness and damping coefficients. In addition, sensitivity analyses were performed to show that the accuracy of the dynamic coefficients do not rely on the accuracy of the data reduction procedures.

A Radial Basis Function Approach to Financial Time Series Analysis

DTIC Science & Technology

1993-12-01

including efficient methods for parameter estimation and pruning, a pointwise prediction error estimator, and a methodology for controlling the "data...collection of practical techniques to address these issues for a modeling methodology . Radial Basis Function networks. These techniques in- clude efficient... methodology often then amounts to a careful consideration of the interplay between model complexity and reliability. These will be recurrent themes

A RUTCOR Project in Discrete Applied Mathematics

DTIC Science & Technology

1990-02-20

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

Structural basis for antibody recognition in the receptor-binding domains of toxins A and B from Clostridium difficile.

PubMed

Murase, Tomohiko; Eugenio, Luiz; Schorr, Melissa; Hussack, Greg; Tanha, Jamshid; Kitova, Elena N; Klassen, John S; Ng, Kenneth K S

2014-01-24

Clostridium difficile infection is a serious and highly prevalent nosocomial disease in which the two large, Rho-glucosylating toxins TcdA and TcdB are the main virulence factors. We report for the first time crystal structures revealing how neutralizing and non-neutralizing single-domain antibodies (sdAbs) recognize the receptor-binding domains (RBDs) of TcdA and TcdB. Surprisingly, the complexes formed by two neutralizing antibodies recognizing TcdA do not show direct interference with the previously identified carbohydrate-binding sites, suggesting that neutralization of toxin activity may be mediated by mechanisms distinct from steric blockage of receptor binding. A camelid sdAb complex also reveals the molecular structure of the TcdB RBD for the first time, facilitating the crystallization of a strongly negatively charged protein fragment that has resisted previous attempts at crystallization and structure determination. Electrospray ionization mass spectrometry measurements confirm the stoichiometries of sdAbs observed in the crystal structures. These studies indicate how key epitopes in the RBDs from TcdA and TcdB are recognized by sdAbs, providing molecular insights into toxin structure and function and providing for the first time a basis for the design of highly specific toxin-specific therapeutic and diagnostic agents.

Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile*

PubMed Central

Murase, Tomohiko; Eugenio, Luiz; Schorr, Melissa; Hussack, Greg; Tanha, Jamshid; Kitova, Elena N.; Klassen, John S.; Ng, Kenneth K. S.

2014-01-01

Clostridium difficile infection is a serious and highly prevalent nosocomial disease in which the two large, Rho-glucosylating toxins TcdA and TcdB are the main virulence factors. We report for the first time crystal structures revealing how neutralizing and non-neutralizing single-domain antibodies (sdAbs) recognize the receptor-binding domains (RBDs) of TcdA and TcdB. Surprisingly, the complexes formed by two neutralizing antibodies recognizing TcdA do not show direct interference with the previously identified carbohydrate-binding sites, suggesting that neutralization of toxin activity may be mediated by mechanisms distinct from steric blockage of receptor binding. A camelid sdAb complex also reveals the molecular structure of the TcdB RBD for the first time, facilitating the crystallization of a strongly negatively charged protein fragment that has resisted previous attempts at crystallization and structure determination. Electrospray ionization mass spectrometry measurements confirm the stoichiometries of sdAbs observed in the crystal structures. These studies indicate how key epitopes in the RBDs from TcdA and TcdB are recognized by sdAbs, providing molecular insights into toxin structure and function and providing for the first time a basis for the design of highly specific toxin-specific therapeutic and diagnostic agents. PMID:24311789

Estimating trajectories of energy intake through childhood and adolescence using linear-spline multilevel models.

PubMed

Anderson, Emma L; Tilling, Kate; Fraser, Abigail; Macdonald-Wallis, Corrie; Emmett, Pauline; Cribb, Victoria; Northstone, Kate; Lawlor, Debbie A; Howe, Laura D

2013-07-01

Methods for the assessment of changes in dietary intake across the life course are underdeveloped. We demonstrate the use of linear-spline multilevel models to summarize energy-intake trajectories through childhood and adolescence and their application as exposures, outcomes, or mediators. The Avon Longitudinal Study of Parents and Children assessed children's dietary intake several times between ages 3 and 13 years, using both food frequency questionnaires (FFQs) and 3-day food diaries. We estimated energy-intake trajectories for 12,032 children using linear-spline multilevel models. We then assessed the associations of these trajectories with maternal body mass index (BMI), and later offspring BMI, and also their role in mediating the relation between maternal and offspring BMIs. Models estimated average and individual energy intake at 3 years, and linear changes in energy intake from age 3 to 7 years and from age 7 to 13 years. By including the exposure (in this example, maternal BMI) in the multilevel model, we were able to estimate the average energy-intake trajectories across levels of the exposure. When energy-intake trajectories are the exposure for a later outcome (in this case offspring BMI) or a mediator (between maternal and offspring BMI), results were similar, whether using a two-step process (exporting individual-level intercepts and slopes from multilevel models and using these in linear regression/path analysis), or a single-step process (multivariate multilevel models). Trajectories were similar when FFQs and food diaries were assessed either separately, or when combined into one model. Linear-spline multilevel models provide useful summaries of trajectories of dietary intake that can be used as an exposure, outcome, or mediator.

B-spline goal-oriented error estimators for geometrically nonlinear rods

DTIC Science & Technology

2011-04-01

respectively, for the output functionals q2–q4 (linear and nonlinear with the trigonometric functions sine and cosine) in all the tests considered...of the errors resulting from the linear, quadratic and nonlinear (with trigonometric functions sine and cosine) outputs and for p = 1, 2. If the... Portugal . References [1] A.T. Adams. Sobolev Spaces. Academic Press, Boston, 1975. [2] M. Ainsworth and J.T. Oden. A posteriori error estimation in

Vitamin B12 status of pregnant Indian women and cognitive function in their 9-year-old children

PubMed Central

Bhate, Vidya; Deshpande, Swapna; Bhat, Dattatray; Joshi, Niranjan; Ladkat, Rasika; Watve, Sujala; Fall, Caroline; de Jager, Celeste A.; Refsum, Helga; Yajnik, Chittaranjan

2009-01-01

Background Recent research has highlighted the influence of maternal factors on the health of the offspring. Intrauterine experiences may program metabolic, cardiovascular, and psychiatric disorders. We have shown that maternal vitamin B12 status affects adiposity and insulin resistance in the child. Vitamin B12 is important for brain development and function. Objective We investigated the relationship between maternal plasma vitamin B12 status during pregnancy and the child's cognitive function at 9 years of age. Methods We studied children born in the Pune Maternal Nutrition Study. Two groups of children were selected on the basis of maternal plasma vitamin B12 concentration at 28 weeks of gestation: group 1 (n = 49) included children of mothers with low plasma vitamin B12 (lowest decile, < 77 pM) and group 2 (n = 59) children of mothers with high plasma vitamin B12 (highest decile, > 224 pM). Results Children from group 1 performed more slowly than those from group 2 on the Color Trail A test (sustained attention, 182 vs. 159 seconds; p < .05) and the Digit Span Backward test (short-term memory, p <.05), after appropriate adjustment for confounders. There were no differences between group 1 and group 2 on other tests of cognitive function (intelligence, visual agnosia). Conclusions Maternal vitamin B12 status in pregnancy influences cognitive function in offspring. PMID:19227049

Inverting travel times with a triplication. [spline fitting technique applied to lunar seismic data reduction

NASA Technical Reports Server (NTRS)

Jarosch, H. S.

1982-01-01

A method based on the use of constrained spline fits is used to overcome the difficulties arising when body-wave data in the form of T-delta are reduced to the tau-p form in the presence of cusps. In comparison with unconstrained spline fits, the method proposed here tends to produce much smoother models which lie approximately in the middle of the bounds produced by the extremal method. The method is noniterative and, therefore, computationally efficient. The method is applied to the lunar seismic data, where at least one triplication is presumed to occur in the P-wave travel-time curve. It is shown, however, that because of an insufficient number of data points for events close to the antipode of the center of the lunar network, the present analysis is not accurate enough to resolve the problem of a possible lunar core.

Appraisal of application possibilities of smoothed splines to designation of the average values of terrain curvatures measured after the termination of hard coal exploitation conducted at medium depth

NASA Astrophysics Data System (ADS)

Orwat, J.

2018-01-01

In paper were presented results of average values calculations of terrain curvatures measured after the termination of subsequent exploitation stages in the 338/2 coal bed located at medium depth. The curvatures were measured on the neighbouring segments of measuring line No. 1 established perpendicularly to the runways of four longwalls No. 001, 002, 005 and 007. The average courses of measured curvatures were designated based on average courses of measured inclinations. In turn, the average values of observed inclinations were calculated on the basis of measured subsidence average values. In turn, they were designated on the way of average-square approximation, which was done by the use of smoothed splines, in reference to the theoretical courses determined by the S. Knothe’s and J. Bialek’s formulas. Here were used standard parameters values of a roof rocks subsidence a, an exploitation rim Aobr and an angle of the main influences range β. The values of standard deviations between the average and measured curvatures σC and the variability coefficients of random scattering of curvatures MC were calculated. They were compared with values appearing in the literature and based on this, a possibility appraisal of the use of smooth splines to designation of average course of observed curvatures of mining area was conducted.

A spline-based parameter and state estimation technique for static models of elastic surfaces

NASA Technical Reports Server (NTRS)

Banks, H. T.; Daniel, P. L.; Armstrong, E. S.

1983-01-01

Parameter and state estimation techniques for an elliptic system arising in a developmental model for the antenna surface in the Maypole Hoop/Column antenna are discussed. A computational algorithm based on spline approximations for the state and elastic parameters is given and numerical results obtained using this algorithm are summarized.

Spatial variability of soil available phosphorous and potassium at three different soils located in Pannonian Croatia

NASA Astrophysics Data System (ADS)

Bogunović, Igor; Pereira, Paulo; Đurđević, Boris

2017-04-01

Information on spatial distribution of soil nutrients in agroecosystems is critical for improving productivity and reducing environmental pressures in intensive farmed soils. In this context, spatial prediction of soil properties should be accurate. In this study we analyse 704 data of soil available phosphorus (AP) and potassium (AK); the data derive from soil samples collected across three arable fields in Baranja region (Croatia) in correspondence of different soil types: Cambisols (169 samples), Chernozems (131 samples) and Gleysoils (404 samples). The samples are collected in a regular sampling grid (distance 225 x 225 m). Several geostatistical techniques (Inverse Distance to a Weight (IDW) with the power of 1, 2 and 3; Radial Basis Functions (RBF) - Inverse Multiquadratic (IMT), Multiquadratic (MTQ), Completely Regularized Spline (CRS), Spline with Tension (SPT) and Thin Plate Spline (TPS); and Local Polynomial (LP) with the power of 1 and 2; two geostatistical techniques -Ordinary Kriging - OK and Simple Kriging - SK) were tested in order to evaluate the most accurate spatial variability maps using criteria of lowest RMSE during cross validation technique. Soil parameters varied considerably throughout the studied fields and their coefficient of variations ranged from 31.4% to 37.7% and from 19.3% to 27.1% for soil AP and AK, respectively. The experimental variograms indicate a moderate spatial dependence for AP and strong spatial dependence for all three locations. The best spatial predictor for AP at Chernozem field was Simple kriging (RMSE=61.711), and for AK inverse multiquadratic (RMSE=44.689). The least accurate technique was Thin plate spline (AP) and Inverse distance to a weight with a power of 1 (AK). Radial basis function models (Spline with Tension for AP at Gleysoil and Cambisol and Completely Regularized Spline for AK at Gleysol) were the best predictors, while Thin Plate Spline models were the least accurate in all three cases. The best

Estimation of Some Parameters from Morse-Morse-Spline-Van Der Waals Intermolecular Potential

NASA Astrophysics Data System (ADS)

Coroiu, I.

2007-04-01

Some parameters such as transport cross-sections and isotopic thermal diffusion factor have been calculated from an improved intermolecular potential, Morse-Morse-Spline-van der Waals (MMSV) potential proposed by R.A. Aziz et al. The treatment was completely classical and no corrections for quantum effects were made. The results would be employed for isotope separations of different spherical and quasi-spherical molecules.

Nuclear longitudinal form factors for axially deformed charge distributions expanded by nonorthogonal basis functions

NASA Astrophysics Data System (ADS)

Liu, Jian; Zhang, Jinjuan; Xu, Chang; Ren, Zhongzhou

2017-05-01

In this paper, the nuclear longitudinal form factors are systematically studied from the intrinsic charge multipoles. For axially deformed nuclei, two different types of density profiles are used to describe their charge distributions. For the same charge distributions expanded with different basis functions, the corresponding longitudinal form factors are derived and compared with each other. Results show the multipoles Cλ of longitudinal form factors are independent of the basis functions of charge distributions. Further numerical calculations of longitudinal form factors of 12C indicates that the C 0 multipole reflects the contributions of spherical components of all nonorthogonal basis functions. For deformed nuclei, their charge RMS radii can also be determined accurately by the C 0 measurement. The studies in this paper examine the model-independent properties of electron scattering, which are useful for interpreting electron scattering experiments on exotic deformed nuclei. Supported by National Natural Science Foundation of China (11505292, 11175085, 11575082, 11235001, 11275138, and 11447226), by Shandong Provincial Natural Science Foundation, China (BS2014SF007), Fundamental Research Funds for Central Universities (15CX02072A).

Covering Numbers for Semicontinuous Functions

DTIC Science & Technology

2016-04-29

functions, epi-distance, Attouch-Wets topology, epi-convergence, epi-spline, approximation theory . Date: April 29, 2016 1 Introduction Covering numbers of...classes of functions play central roles in parts of information theory , statistics, and applications such as machine learning; see for example [26...probability theory because there the hypo-distance metrizes weak convergence of distribution functions on IRd, which obviously are usc [22]. Thus, as an

ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

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

Mardirossian, Narbe; Head-Gordon, Martin

2016-06-07

A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation is presented in this paper. The final 12-parameter functional form is selected from approximately 10 × 10 9 candidate fits that are trained on a training set of 870 data points and tested on a primary test set of 2964 data points. The resulting density functional, ωB97M-V, is further tested for transferability on a secondary test set of 1152 data points. For comparison, ωB97M-V is benchmarked against 11 leading density functionals including M06-2X, ωB97X-D, M08-HX, M11, ωM05-D, ωB97X-V, and MN15. Encouragingly, the overall performance of ωB97M-V on nearlymore » 5000 data points clearly surpasses that of all of the tested density functionals. Finally, in order to facilitate the use of ωB97M-V, its basis set dependence and integration grid sensitivity are thoroughly assessed, and recommendations that take into account both efficiency and accuracy are provided.« less

Comparison of interpolation functions to improve a rebinning-free CT-reconstruction algorithm.

PubMed

de las Heras, Hugo; Tischenko, Oleg; Xu, Yuan; Hoeschen, Christoph

2008-01-01

The robust algorithm OPED for the reconstruction of images from Radon data has been recently developed. This reconstructs an image from parallel data within a special scanning geometry that does not need rebinning but only a simple re-ordering, so that the acquired fan data can be used directly for the reconstruction. However, if the number of rays per fan view is increased, there appear empty cells in the sinogram. These cells need to be filled by interpolation before the reconstruction can be carried out. The present paper analyzes linear interpolation, cubic splines and parametric (or "damped") splines for the interpolation task. The reconstruction accuracy in the resulting images was measured by the Normalized Mean Square Error (NMSE), the Hilbert Angle, and the Mean Relative Error. The spatial resolution was measured by the Modulation Transfer Function (MTF). Cubic splines were confirmed to be the most recommendable method. The reconstructed images resulting from cubic spline interpolation show a significantly lower NMSE than the ones from linear interpolation and have the largest MTF for all frequencies. Parametric splines proved to be advantageous only for small sinograms (below 50 fan views).

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

PubMed

Feller, David; Peterson, Kirk A

2013-08-28

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

Basis function models for animal movement

USGS Publications Warehouse

Hooten, Mevin B.; Johnson, Devin S.

2017-01-01

Advances in satellite-based data collection techniques have served as a catalyst for new statistical methodology to analyze these data. In wildlife ecological studies, satellite-based data and methodology have provided a wealth of information about animal space use and the investigation of individual-based animal–environment relationships. With the technology for data collection improving dramatically over time, we are left with massive archives of historical animal telemetry data of varying quality. While many contemporary statistical approaches for inferring movement behavior are specified in discrete time, we develop a flexible continuous-time stochastic integral equation framework that is amenable to reduced-rank second-order covariance parameterizations. We demonstrate how the associated first-order basis functions can be constructed to mimic behavioral characteristics in realistic trajectory processes using telemetry data from mule deer and mountain lion individuals in western North America. Our approach is parallelizable and provides inference for heterogenous trajectories using nonstationary spatial modeling techniques that are feasible for large telemetry datasets. Supplementary materials for this article are available online.

Isogeometric Collocation: Cost Comparison with Galerkin Methods and Extension to Adaptive Hierarchical NURBS Discretizations (Preprint)

DTIC Science & Technology

2013-02-06

high order and smoothness. Consequently, the use of IGA for col- location suggests itself, since spline functions such as NURBS or T-splines can be...for the development of higher-order accurate time integration schemes due to the convergence of the high modes in the eigenspectrum [46] as well as...flows [19, 20, 49–52]. Due to their maximum smoothness, B-splines exhibit a high resolution power, which allows the representation of a broad range

Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters.

PubMed

Bryantsev, Vyacheslav S; Diallo, Mamadou S; van Duin, Adri C T; Goddard, William A

2009-04-14

In this paper we assess the accuracy of the B3LYP, X3LYP, and newly developed M06-L, M06-2X, and M06 functionals to predict the binding energies of neutral and charged water clusters including (H2O)n, n = 2-8, 20), H3O(+)(H2O)n, n = 1-6, and OH(-)(H2O)n, n = 1-6. We also compare the predicted energies of two ion hydration and neutralization reactions on the basis of the calculated binding energies. In all cases, we use as benchmarks calculated binding energies of water clusters extrapolated to the complete basis set limit of the second-order Møller-Plesset perturbation theory with the effects of higher order correlation estimated at the coupled-cluster theory with single, double, and perturbative triple excitations in the aug-cc-pVDZ basis set. We rank the accuracy of the functionals on the basis of the mean unsigned error (MUE) between calculated benchmark and density functional theory energies. The corresponding MUE (kcal/mol) for each functional is listed in parentheses. We find that M06-L (0.73) and M06 (0.84) give the most accurate binding energies using very extended basis sets such as aug-cc-pV5Z. For more affordable basis sets, the best methods for predicting the binding energies of water clusters are M06-L/aug-cc-pVTZ (1.24), B3LYP/6-311++G(2d,2p) (1.29), and M06/aug-cc-PVTZ (1.33). M06-L/aug-cc-pVTZ also gives more accurate energies for the neutralization reactions (1.38), whereas B3LYP/6-311++G(2d,2p) gives more accurate energies for the ion hydration reactions (1.69).

A spline-based parameter estimation technique for static models of elastic structures

NASA Technical Reports Server (NTRS)

Dutt, P.; Taasan, S.

1986-01-01

The problem of identifying the spatially varying coefficient of elasticity using an observed solution to the forward problem is considered. Under appropriate conditions this problem can be treated as a first order hyperbolic equation in the unknown coefficient. Some continuous dependence results are developed for this problem and a spline-based technique is proposed for approximating the unknown coefficient, based on these results. The convergence of the numerical scheme is established and error estimates obtained.

26 CFR 1.367(b)-13 - Special rules for determining basis and holding period.

Code of Federal Regulations, 2010 CFR

2010-04-01

... not have any section 1248 shareholders. FT has assets with a value of $100x, a basis of $50x, and no... section 1248 shareholder with respect to S, or P is a foreign corporation and a United States person is a section 1248 shareholder with respect to both P and S; and (B) In the case of a reverse triangular merger...

OCA-B regulation of B-cell development and function.

PubMed

Teitell, Michael A

2003-10-01

The transcriptional co-activator OCA-B [for Oct co-activator from B cells, also known as OBF-1 (OCT-binding factor-1) and Bob1] is not required for B-cell genesis but does regulate subsequent B-cell development and function. OCA-B deficient mice show strain-specific, partial blocks at multiple stages of B-cell maturation and a complete disruption of germinal center formation in all strains, causing humoral immune deficiency and susceptibility to infection. OCA-B probably exerts its effects through the regulation of octamer-motif controlled gene expression. The OCA-B gene encodes two proteins of distinct molecular weight, designated p34 and p35. The p34 isoform localizes in the nucleus, whereas the p35 isoform is myristoylated and is bound to the cytoplasmic membrane. p35 can traffic to the nucleus and probably activates octamer-dependent transcription, although this OCA-B isoform might regulate B cells through membrane-related signal transduction.

Localized orbital corrections applied to thermochemical errors in density functional theory: The role of basis set and application to molecular reactions

NASA Astrophysics Data System (ADS)

Goldfeld, Dahlia A.; Bochevarov, Arteum D.; Friesner, Richard A.

2008-12-01

This paper is a logical continuation of the 22 parameter, localized orbital correction (LOC) methodology that we developed in previous papers [R. A. Friesner et al., J. Chem. Phys. 125, 124107 (2006); E. H. Knoll and R. A. Friesner, J. Phys. Chem. B 110, 18787 (2006).] This methodology allows one to redress systematic density functional theory (DFT) errors, rooted in DFT's inherent inability to accurately describe nondynamical correlation. Variants of the LOC scheme, in conjunction with B3LYP (denoted as B3LYP-LOC), were previously applied to enthalpies of formation, ionization potentials, and electron affinities and showed impressive reduction in the errors. In this paper, we demonstrate for the first time that the B3LYP-LOC scheme is robust across different basis sets [6-31G∗, 6-311++G(3df,3pd), cc-pVTZ, and aug-cc-pVTZ] and reaction types (atomization reactions and molecular reactions). For example, for a test set of 70 molecular reactions, the LOC scheme reduces their mean unsigned error from 4.7 kcal/mol [obtained with B3LYP/6-311++G(3df,3pd)] to 0.8 kcal/mol. We also verified whether the LOC methodology would be equally successful if applied to the promising M05-2X functional. We conclude that although M05-2X produces better reaction enthalpies than B3LYP, the LOC scheme does not combine nearly as successfully with M05-2X than with B3LYP. A brief analysis of another functional, M06-2X, reveals that it is more accurate than M05-2X but its combination with LOC still cannot compete in accuracy with B3LYP-LOC. Indeed, B3LYP-LOC remains the best method of computing reaction enthalpies.

Estimation of spline function in nonparametric path analysis based on penalized weighted least square (PWLS)

NASA Astrophysics Data System (ADS)

Fernandes, Adji Achmad Rinaldo; Solimun, Arisoesilaningsih, Endang

2017-12-01

The aim of this research is to estimate the spline in Path Analysis-based on Nonparametric Regression using Penalized Weighted Least Square (PWLS) approach. Approach used is Reproducing Kernel Hilbert Space at sobolev space. Nonparametric path analysis model on the equation y1 i=f1.1(x1 i)+ε1 i; y2 i=f1.2(x1 i)+f2.2(y1 i)+ε2 i; i =1 ,2 ,…,n Nonparametric Path Analysis which meet the criteria of minimizing PWLS min fw .k∈W2m[aw .k,bw .k], k =1 ,2 { (2n ) -1(y˜-f ˜ ) TΣ-1(y ˜-f ˜ ) + ∑k =1 2 ∑w =1 2 λw .k ∫aw .k bw .k [fw.k (m )(xi) ] 2d xi } is f ˜^=Ay ˜ with A=T1(T1TU1-1∑-1T1)-1T1TU1-1∑-1+V1U1-1∑-1[I-T1(T1TU1-1∑-1T1)-1T1TU1-1∑-1] columnalign="left">+T2(T2TU2-1∑-1T2)-1T2TU2-1∑-1+V2U2-1∑-1[I1-T2(T2TU2-1∑-1T2) -1T2TU2-1∑-1

Numerical computations on one-dimensional inverse scattering problems

NASA Technical Reports Server (NTRS)

Dunn, M. H.; Hariharan, S. I.

1983-01-01

An approximate method to determine the index of refraction of a dielectric obstacle is presented. For simplicity one dimensional models of electromagnetic scattering are treated. The governing equations yield a second order boundary value problem, in which the index of refraction appears as a functional parameter. The availability of reflection coefficients yield two additional boundary conditions. The index of refraction by a k-th order spline which can be written as a linear combination of B-splines is approximated. For N distinct reflection coefficients, the resulting N boundary value problems yield a system of N nonlinear equations in N unknowns which are the coefficients of the B-splines.

Limitations of the method of complex basis functions

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

Baumel, R.T.; Crocker, M.C.; Nuttall, J.

1975-08-01

The method of complex basis functions proposed by Rescigno and Reinhardt is applied to the calculation of the amplitude in a model problem which can be treated analytically. It is found for an important class of potentials, including some of infinite range and also the square well, that the method does not provide a converging sequence of approximations. However, in some cases, approximations of relatively low order might be close to the correct result. The method is also applied to S-wave e-H elastic scattering above the ionization threshold, and spurious ''convergence'' to the wrong result is found. A procedure whichmore » might overcome the difficulties of the method is proposed.« less

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

PubMed

Brown, James; Carrington, Tucker

2015-07-28

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

Experimental evaluation and basis function optimization of the spatially variant image-space PSF on the Ingenuity PET/MR scanner

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

Kotasidis, Fotis A., E-mail: Fotis.Kotasidis@unige.ch; Zaidi, Habib; Geneva Neuroscience Centre, Geneva University, CH-1205 Geneva

2014-06-15

Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailedmore » investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis function

3-D shape estimation of DNA molecules from stereo cryo-electron micro-graphs using a projection-steerable snake.

PubMed

Jacob, Mathews; Blu, Thierry; Vaillant, Cedric; Maddocks, John H; Unser, Michael

2006-01-01

We introduce a three-dimensional (3-D) parametric active contour algorithm for the shape estimation of DNA molecules from stereo cryo-electron micrographs. We estimate the shape by matching the projections of a 3-D global shape model with the micrographs; we choose the global model as a 3-D filament with a B-spline skeleton and a specified radial profile. The active contour algorithm iteratively updates the B-spline coefficients, which requires us to evaluate the projections and match them with the micrographs at every iteration. Since the evaluation of the projections of the global model is computationally expensive, we propose a fast algorithm based on locally approximating it by elongated blob-like templates. We introduce the concept of projection-steerability and derive a projection-steerable elongated template. Since the two-dimensional projections of such a blob at any 3-D orientation can be expressed as a linear combination of a few basis functions, matching the projections of such a 3-D template involves evaluating a weighted sum of inner products between the basis functions and the micrographs. The weights are simple functions of the 3-D orientation and the inner-products are evaluated efficiently by separable filtering. We choose an internal energy term that penalizes the average curvature magnitude. Since the exact length of the DNA molecule is known a priori, we introduce a constraint energy term that forces the curve to have this specified length. The sum of these energies along with the image energy derived from the matching process is minimized using the conjugate gradients algorithm. We validate the algorithm using real, as well as simulated, data and show that it performs well.

Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions

NASA Astrophysics Data System (ADS)

Leclerc, Arnaud; Thomas, Phillip S.; Carrington, Tucker

2017-08-01

Vibrational spectra and wavefunctions of polyatomic molecules can be calculated at low memory cost using low-rank sum-of-product (SOP) decompositions to represent basis functions generated using an iterative eigensolver. Using a SOP tensor format does not determine the iterative eigensolver. The choice of the interative eigensolver is limited by the need to restrict the rank of the SOP basis functions at every stage of the calculation. We have adapted, implemented and compared different reduced-rank algorithms based on standard iterative methods (block-Davidson algorithm, Chebyshev iteration) to calculate vibrational energy levels and wavefunctions of the 12-dimensional acetonitrile molecule. The effect of using low-rank SOP basis functions on the different methods is analysed and the numerical results are compared with those obtained with the reduced rank block power method. Relative merits of the different algorithms are presented, showing that the advantage of using a more sophisticated method, although mitigated by the use of reduced-rank SOP functions, is noticeable in terms of CPU time.

Ethnicity and skeletal Class III morphology: a pubertal growth analysis using thin-plate spline analysis.

PubMed

Alkhamrah, B; Terada, K; Yamaki, M; Ali, I M; Hanada, K

2001-01-01

A longitudinal retrospective study using thin-plate spline analysis was used to investigate skeletal Class III etiology in Japanese female adolescents. Headfilms of 40 subjects were chosen from the archives of the Orthodontic department at Niigata University Dental Hospital, and were traced at IIIB and IVA Hellman dental ages. Twenty-eight homologous landmarks, representing hard and soft tissue, were digitized. These were used to reproduce a consensus for the profilogram, craniomaxillary complex, mandible, and soft tissue for each age and skeletal group. Generalized least-square analysis revealed a significant shape difference between age-matched groups (P < .001), except for the craniomaxillary complex at stage IVA. T test for size analysis showed unequivocally increased mandibular size in skeletal Class III, which directly increased the craniofacial size collectively (P < .05). A deviant profilogram showed anisotropy displaying as maxillary deficiency, acute cranial base, and obtuse gonial angle in addition to increased facial height at stage IIIB. Maxillary retrusion decreased while the mandible showed excessive incremental growth and a forward position caused by deficient orthocephalization at stage IVA. Craniomaxillary complex total spline and partial warps (PW)3 and 2 showed a maxillary retrusion at stage IIIB opposite an acute cranial base at stage IVA. Mandibular total spline and PW4, 5 showed changes affecting most landmarks and their spatial interrelationship, especially a stretch along the articulare-pogonion axis. In soft tissue analysis, PW8 showed large and local changes which paralleled the underlying hard tissue components. Allometry of the mandible and anisotropy of the cranial base, the maxilla, and the mandible asserted the complexity of craniofacial growth and the difficulty of predicting its outcome.

Practical auxiliary basis implementation of Rung 3.5 functionals

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

Janesko, Benjamin G., E-mail: b.janesko@tcu.edu; Scalmani, Giovanni; Frisch, Michael J.

2014-07-21

Approximate exchange-correlation functionals for Kohn-Sham density functional theory often benefit from incorporating exact exchange. Exact exchange is constructed from the noninteracting reference system's nonlocal one-particle density matrix γ(r{sup -vector},r{sup -vector}′). Rung 3.5 functionals attempt to balance the strengths and limitations of exact exchange using a new ingredient, a projection of γ(r{sup -vector},r{sup -vector} ′) onto a semilocal model density matrix γ{sub SL}(ρ(r{sup -vector}),∇ρ(r{sup -vector}),r{sup -vector}−r{sup -vector} ′). γ{sub SL} depends on the electron density ρ(r{sup -vector}) at reference point r{sup -vector}, and is closely related to semilocal model exchange holes. We present a practical implementation of Rung 3.5 functionals, expandingmore » the r{sup -vector}−r{sup -vector} ′ dependence of γ{sub SL} in an auxiliary basis set. Energies and energy derivatives are obtained from 3D numerical integration as in standard semilocal functionals. We also present numerical tests of a range of properties, including molecular thermochemistry and kinetics, geometries and vibrational frequencies, and bandgaps and excitation energies. Rung 3.5 functionals typically provide accuracy intermediate between semilocal and hybrid approximations. Nonlocal potential contributions from γ{sub SL} yield interesting successes and failures for band structures and excitation energies. The results enable and motivate continued exploration of Rung 3.5 functional forms.« less

Contact Modelling in Isogeometric Analysis: Application to Sheet Metal Forming Processes

NASA Astrophysics Data System (ADS)

Cardoso, Rui P. R.; Adetoro, O. B.; Adan, D.

2016-08-01

Isogeometric Analysis (IGA) has been growing in popularity in the past few years essentially due to the extra flexibility it introduces with the use of higher degrees in the basis functions leading to higher convergence rates. IGA also offers the capability of easily reproducing discontinuous displacement and/or strain fields by just manipulating the multiplicity of the knot parametric coordinates. Another advantage of IGA is that it uses the Non-Uniform Rational B-Splines (NURBS) basis functions, that are very common in CAD solid modelling, and consequently it makes easier the transition from CAD models to numerical analysis. In this work it is explored the contact analysis in IGA for both implicit and explicit time integration schemes. Special focus will be given on contact search and contact detection techniques under NURBS patches for both the rigid tools and the deformed sheet blank.

Computing single step operators of logic programming in radial basis function neural networks

NASA Astrophysics Data System (ADS)

Hamadneh, Nawaf; Sathasivam, Saratha; Choon, Ong Hong

2014-07-01

Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (Tp:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.

Thin-plate spline (TPS) graphical analysis of the mandible on cephalometric radiographs.

PubMed

Chang, H P; Liu, P H; Chang, H F; Chang, C H

2002-03-01

We describe two cases of Class III malocclusion with and without orthodontic treatment. A thin-plate spline (TPS) analysis of lateral cephalometric radiographs was used to visualize transformations of the mandible. The actual sites of mandibular skeletal change are not detectable with conventional cephalometric analysis. These case analyses indicate that specific patterns of mandibular transformation are associated with Class III malocclusion with or without orthopaedic therapy, and visualization of these deformations is feasible using TPS graphical analysis.

Cubic spline numerical solution of an ablation problem with convective backface cooling

NASA Astrophysics Data System (ADS)

Lin, S.; Wang, P.; Kahawita, R.

1984-08-01

An implicit numerical technique using cubic splines is presented for solving an ablation problem on a thin wall with convective cooling. A non-uniform computational mesh with 6 grid points has been used for the numerical integration. The method has been found to be computationally efficient, providing for the care under consideration of an overall error of about 1 percent. The results obtained indicate that the convective cooling is an important factor in reducing the ablation thickness.

Graphics Processing Unit-Accelerated Nonrigid Registration of MR Images to CT Images During CT-Guided Percutaneous Liver Tumor Ablations.

PubMed

Tokuda, Junichi; Plishker, William; Torabi, Meysam; Olubiyi, Olutayo I; Zaki, George; Tatli, Servet; Silverman, Stuart G; Shekher, Raj; Hata, Nobuhiko

2015-06-01