Approximate kernel competitive learning.

PubMed

Wu, Jian-Sheng; Zheng, Wei-Shi; Lai, Jian-Huang

2015-03-01

Kernel competitive learning has been successfully used to achieve robust clustering. However, kernel competitive learning (KCL) is not scalable for large scale data processing, because (1) it has to calculate and store the full kernel matrix that is too large to be calculated and kept in the memory and (2) it cannot be computed in parallel. In this paper we develop a framework of approximate kernel competitive learning for processing large scale dataset. The proposed framework consists of two parts. First, it derives an approximate kernel competitive learning (AKCL), which learns kernel competitive learning in a subspace via sampling. We provide solid theoretical analysis on why the proposed approximation modelling would work for kernel competitive learning, and furthermore, we show that the computational complexity of AKCL is largely reduced. Second, we propose a pseudo-parallelled approximate kernel competitive learning (PAKCL) based on a set-based kernel competitive learning strategy, which overcomes the obstacle of using parallel programming in kernel competitive learning and significantly accelerates the approximate kernel competitive learning for large scale clustering. The empirical evaluation on publicly available datasets shows that the proposed AKCL and PAKCL can perform comparably as KCL, with a large reduction on computational cost. Also, the proposed methods achieve more effective clustering performance in terms of clustering precision against related approximate clustering approaches. Copyright © 2014 Elsevier Ltd. All rights reserved.

Excitation energies of dissociating H2: A problematic case for the adiabatic approximation of time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Gritsenko, O. V.; van Gisbergen, S. J. A.; Görling, A.; Baerends, E. J.

2000-11-01

Time-dependent density functional theory (TDDFT) is applied for calculation of the excitation energies of the dissociating H2 molecule. The standard TDDFT method of adiabatic local density approximation (ALDA) totally fails to reproduce the potential curve for the lowest excited singlet 1Σu+ state of H2. Analysis of the eigenvalue problem for the excitation energies as well as direct derivation of the exchange-correlation (xc) kernel fxc(r,r',ω) shows that ALDA fails due to breakdown of its simple spatially local approximation for the kernel. The analysis indicates a complex structure of the function fxc(r,r',ω), which is revealed in a different behavior of the various matrix elements K1c,1cxc (between the highest occupied Kohn-Sham molecular orbital ψ1 and virtual MOs ψc) as a function of the bond distance R(H-H). The effect of nonlocality of fxc(r,r') is modeled by using different expressions for the corresponding matrix elements of different orbitals. Asymptotically corrected ALDA (ALDA-AC) expressions for the matrix elements K12,12xc(στ) are proposed, while for other matrix elements the standard ALDA expressions are retained. This approach provides substantial improvement over the standard ALDA. In particular, the ALDA-AC curve for the lowest singlet excitation qualitatively reproduces the shape of the exact curve. It displays a minimum and approaches a relatively large positive energy at large R(H-H). ALDA-AC also produces a substantial improvement for the calculated lowest triplet excitation, which is known to suffer from the triplet instability problem of the restricted KS ground state. Failure of the ALDA for the excitation energies is related to the failure of the local density as well as generalized gradient approximations to reproduce correctly the polarizability of dissociating H2. The expression for the response function χ is derived to show the origin of the field-counteracting term in the xc potential, which is lacking in the local density and generalized gradient approximations and which is required to obtain a correct polarizability.

Aveiro method in reproducing kernel Hilbert spaces under complete dictionary

NASA Astrophysics Data System (ADS)

Mai, Weixiong; Qian, Tao

2017-12-01

Aveiro Method is a sparse representation method in reproducing kernel Hilbert spaces (RKHS) that gives orthogonal projections in linear combinations of reproducing kernels over uniqueness sets. It, however, suffers from determination of uniqueness sets in the underlying RKHS. In fact, in general spaces, uniqueness sets are not easy to be identified, let alone the convergence speed aspect with Aveiro Method. To avoid those difficulties we propose an anew Aveiro Method based on a dictionary and the matching pursuit idea. What we do, in fact, are more: The new Aveiro method will be in relation to the recently proposed, the so called Pre-Orthogonal Greedy Algorithm (P-OGA) involving completion of a given dictionary. The new method is called Aveiro Method Under Complete Dictionary (AMUCD). The complete dictionary consists of all directional derivatives of the underlying reproducing kernels. We show that, under the boundary vanishing condition, bring available for the classical Hardy and Paley-Wiener spaces, the complete dictionary enables an efficient expansion of any given element in the Hilbert space. The proposed method reveals new and advanced aspects in both the Aveiro Method and the greedy algorithm.

Kernel methods and flexible inference for complex stochastic dynamics

NASA Astrophysics Data System (ADS)

Capobianco, Enrico

2008-07-01

Approximation theory suggests that series expansions and projections represent standard tools for random process applications from both numerical and statistical standpoints. Such instruments emphasize the role of both sparsity and smoothness for compression purposes, the decorrelation power achieved in the expansion coefficients space compared to the signal space, and the reproducing kernel property when some special conditions are met. We consider these three aspects central to the discussion in this paper, and attempt to analyze the characteristics of some known approximation instruments employed in a complex application domain such as financial market time series. Volatility models are often built ad hoc, parametrically and through very sophisticated methodologies. But they can hardly deal with stochastic processes with regard to non-Gaussianity, covariance non-stationarity or complex dependence without paying a big price in terms of either model mis-specification or computational efficiency. It is thus a good idea to look at other more flexible inference tools; hence the strategy of combining greedy approximation and space dimensionality reduction techniques, which are less dependent on distributional assumptions and more targeted to achieve computationally efficient performances. Advantages and limitations of their use will be evaluated by looking at algorithmic and model building strategies, and by reporting statistical diagnostics.

Kernel Partial Least Squares for Nonlinear Regression and Discrimination

NASA Technical Reports Server (NTRS)

Rosipal, Roman; Clancy, Daniel (Technical Monitor)

2002-01-01

This paper summarizes recent results on applying the method of partial least squares (PLS) in a reproducing kernel Hilbert space (RKHS). A previously proposed kernel PLS regression model was proven to be competitive with other regularized regression methods in RKHS. The family of nonlinear kernel-based PLS models is extended by considering the kernel PLS method for discrimination. Theoretical and experimental results on a two-class discrimination problem indicate usefulness of the method.

Ranking Support Vector Machine with Kernel Approximation

PubMed Central

Dou, Yong

2017-01-01

Learning to rank algorithm has become important in recent years due to its successful application in information retrieval, recommender system, and computational biology, and so forth. Ranking support vector machine (RankSVM) is one of the state-of-art ranking models and has been favorably used. Nonlinear RankSVM (RankSVM with nonlinear kernels) can give higher accuracy than linear RankSVM (RankSVM with a linear kernel) for complex nonlinear ranking problem. However, the learning methods for nonlinear RankSVM are still time-consuming because of the calculation of kernel matrix. In this paper, we propose a fast ranking algorithm based on kernel approximation to avoid computing the kernel matrix. We explore two types of kernel approximation methods, namely, the Nyström method and random Fourier features. Primal truncated Newton method is used to optimize the pairwise L2-loss (squared Hinge-loss) objective function of the ranking model after the nonlinear kernel approximation. Experimental results demonstrate that our proposed method gets a much faster training speed than kernel RankSVM and achieves comparable or better performance over state-of-the-art ranking algorithms. PMID:28293256

Ranking Support Vector Machine with Kernel Approximation.

PubMed

Chen, Kai; Li, Rongchun; Dou, Yong; Liang, Zhengfa; Lv, Qi

2017-01-01

Learning to rank algorithm has become important in recent years due to its successful application in information retrieval, recommender system, and computational biology, and so forth. Ranking support vector machine (RankSVM) is one of the state-of-art ranking models and has been favorably used. Nonlinear RankSVM (RankSVM with nonlinear kernels) can give higher accuracy than linear RankSVM (RankSVM with a linear kernel) for complex nonlinear ranking problem. However, the learning methods for nonlinear RankSVM are still time-consuming because of the calculation of kernel matrix. In this paper, we propose a fast ranking algorithm based on kernel approximation to avoid computing the kernel matrix. We explore two types of kernel approximation methods, namely, the Nyström method and random Fourier features. Primal truncated Newton method is used to optimize the pairwise L2-loss (squared Hinge-loss) objective function of the ranking model after the nonlinear kernel approximation. Experimental results demonstrate that our proposed method gets a much faster training speed than kernel RankSVM and achieves comparable or better performance over state-of-the-art ranking algorithms.

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

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

Brambilla, N.; Prosperi, G.M.

1992-08-01

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

Online Distributed Learning Over Networks in RKH Spaces Using Random Fourier Features

NASA Astrophysics Data System (ADS)

Bouboulis, Pantelis; Chouvardas, Symeon; Theodoridis, Sergios

2018-04-01

We present a novel diffusion scheme for online kernel-based learning over networks. So far, a major drawback of any online learning algorithm, operating in a reproducing kernel Hilbert space (RKHS), is the need for updating a growing number of parameters as time iterations evolve. Besides complexity, this leads to an increased need of communication resources, in a distributed setting. In contrast, the proposed method approximates the solution as a fixed-size vector (of larger dimension than the input space) using Random Fourier Features. This paves the way to use standard linear combine-then-adapt techniques. To the best of our knowledge, this is the first time that a complete protocol for distributed online learning in RKHS is presented. Conditions for asymptotic convergence and boundness of the networkwise regret are also provided. The simulated tests illustrate the performance of the proposed scheme.

Approximate l-fold cross-validation with Least Squares SVM and Kernel Ridge Regression

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

Edwards, Richard E; Zhang, Hao; Parker, Lynne Edwards

2013-01-01

Kernel methods have difficulties scaling to large modern data sets. The scalability issues are based on computational and memory requirements for working with a large matrix. These requirements have been addressed over the years by using low-rank kernel approximations or by improving the solvers scalability. However, Least Squares Support VectorMachines (LS-SVM), a popular SVM variant, and Kernel Ridge Regression still have several scalability issues. In particular, the O(n^3) computational complexity for solving a single model, and the overall computational complexity associated with tuning hyperparameters are still major problems. We address these problems by introducing an O(n log n) approximate l-foldmore » cross-validation method that uses a multi-level circulant matrix to approximate the kernel. In addition, we prove our algorithm s computational complexity and present empirical runtimes on data sets with approximately 1 million data points. We also validate our approximate method s effectiveness at selecting hyperparameters on real world and standard benchmark data sets. Lastly, we provide experimental results on using a multi-level circulant kernel approximation to solve LS-SVM problems with hyperparameters selected using our method.« less

Discontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate forms

NASA Astrophysics Data System (ADS)

Hellgren, Maria; Gross, E. K. U.

2013-11-01

We present a detailed study of the exact-exchange (EXX) kernel of time-dependent density-functional theory with an emphasis on its discontinuity at integer particle numbers. It was recently found that this exact property leads to sharp peaks and step features in the kernel that diverge in the dissociation limit of diatomic systems [Hellgren and Gross, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.85.022514 85, 022514 (2012)]. To further analyze the discontinuity of the kernel, we here make use of two different approximations to the EXX kernel: the Petersilka Gossmann Gross (PGG) approximation and a common energy denominator approximation (CEDA). It is demonstrated that whereas the PGG approximation neglects the discontinuity, the CEDA includes it explicitly. By studying model molecular systems it is shown that the so-called field-counteracting effect in the density-functional description of molecular chains can be viewed in terms of the discontinuity of the static kernel. The role of the frequency dependence is also investigated, highlighting its importance for long-range charge-transfer excitations as well as inner-shell excitations.

Macroscopic and microscopic components of exchange-correlation interactions

NASA Astrophysics Data System (ADS)

Sottile, F.; Karlsson, K.; Reining, L.; Aryasetiawan, F.

2003-11-01

We consider two commonly used approaches for the ab initio calculation of optical-absorption spectra, namely, many-body perturbation theory based on Green’s functions and time-dependent density-functional theory (TDDFT). The former leads to the two-particle Bethe-Salpeter equation that contains a screened electron-hole interaction. We approximate this interaction in various ways, and discuss in particular the results obtained for a local contact potential. This, in fact, allows us to straightforwardly make the link to the TDDFT approach, and to discuss the exchange-correlation kernel fxc that corresponds to the contact exciton. Our main results, illustrated in the examples of bulk silicon, GaAs, argon, and LiF, are the following. (i) The simple contact exciton model, used on top of an ab initio calculated band structure, yields reasonable absorption spectra. (ii) Qualitatively extremely different fxc can be derived approximatively from the same Bethe-Salpeter equation. These kernels can however yield very similar spectra. (iii) A static fxc, both with or without a long-range component, can create transitions in the quasiparticle gap. To the best of our knowledge, this is the first time that TDDFT has been shown to be able to reproduce bound excitons.

Direct Measurement of Wave Kernels in Time-Distance Helioseismology

NASA Technical Reports Server (NTRS)

Duvall, T. L., Jr.

2006-01-01

Solar f-mode waves are surface-gravity waves which propagate horizontally in a thin layer near the photosphere with a dispersion relation approximately that of deep water waves. At the power maximum near 3 mHz, the wavelength of 5 Mm is large enough for various wave scattering properties to be observable. Gizon and Birch (2002,ApJ,571,966)h ave calculated kernels, in the Born approximation, for the sensitivity of wave travel times to local changes in damping rate and source strength. In this work, using isolated small magnetic features as approximate point-sourc'e scatterers, such a kernel has been measured. The observed kernel contains similar features to a theoretical damping kernel but not for a source kernel. A full understanding of the effect of small magnetic features on the waves will require more detailed modeling.

Generalization Performance of Regularized Ranking With Multiscale Kernels.

PubMed

Zhou, Yicong; Chen, Hong; Lan, Rushi; Pan, Zhibin

2016-05-01

The regularized kernel method for the ranking problem has attracted increasing attentions in machine learning. The previous regularized ranking algorithms are usually based on reproducing kernel Hilbert spaces with a single kernel. In this paper, we go beyond this framework by investigating the generalization performance of the regularized ranking with multiscale kernels. A novel ranking algorithm with multiscale kernels is proposed and its representer theorem is proved. We establish the upper bound of the generalization error in terms of the complexity of hypothesis spaces. It shows that the multiscale ranking algorithm can achieve satisfactory learning rates under mild conditions. Experiments demonstrate the effectiveness of the proposed method for drug discovery and recommendation tasks.

Implementing Kernel Methods Incrementally by Incremental Nonlinear Projection Trick.

PubMed

Kwak, Nojun

2016-05-20

Recently, the nonlinear projection trick (NPT) was introduced enabling direct computation of coordinates of samples in a reproducing kernel Hilbert space. With NPT, any machine learning algorithm can be extended to a kernel version without relying on the so called kernel trick. However, NPT is inherently difficult to be implemented incrementally because an ever increasing kernel matrix should be treated as additional training samples are introduced. In this paper, an incremental version of the NPT (INPT) is proposed based on the observation that the centerization step in NPT is unnecessary. Because the proposed INPT does not change the coordinates of the old data, the coordinates obtained by INPT can directly be used in any incremental methods to implement a kernel version of the incremental methods. The effectiveness of the INPT is shown by applying it to implement incremental versions of kernel methods such as, kernel singular value decomposition, kernel principal component analysis, and kernel discriminant analysis which are utilized for problems of kernel matrix reconstruction, letter classification, and face image retrieval, respectively.

Out-of-Sample Extensions for Non-Parametric Kernel Methods.

PubMed

Pan, Binbin; Chen, Wen-Sheng; Chen, Bo; Xu, Chen; Lai, Jianhuang

2017-02-01

Choosing suitable kernels plays an important role in the performance of kernel methods. Recently, a number of studies were devoted to developing nonparametric kernels. Without assuming any parametric form of the target kernel, nonparametric kernel learning offers a flexible scheme to utilize the information of the data, which may potentially characterize the data similarity better. The kernel methods using nonparametric kernels are referred to as nonparametric kernel methods. However, many nonparametric kernel methods are restricted to transductive learning, where the prediction function is defined only over the data points given beforehand. They have no straightforward extension for the out-of-sample data points, and thus cannot be applied to inductive learning. In this paper, we show how to make the nonparametric kernel methods applicable to inductive learning. The key problem of out-of-sample extension is how to extend the nonparametric kernel matrix to the corresponding kernel function. A regression approach in the hyper reproducing kernel Hilbert space is proposed to solve this problem. Empirical results indicate that the out-of-sample performance is comparable to the in-sample performance in most cases. Experiments on face recognition demonstrate the superiority of our nonparametric kernel method over the state-of-the-art parametric kernel methods.

On Quantile Regression in Reproducing Kernel Hilbert Spaces with Data Sparsity Constraint

PubMed Central

Zhang, Chong; Liu, Yufeng; Wu, Yichao

2015-01-01

For spline regressions, it is well known that the choice of knots is crucial for the performance of the estimator. As a general learning framework covering the smoothing splines, learning in a Reproducing Kernel Hilbert Space (RKHS) has a similar issue. However, the selection of training data points for kernel functions in the RKHS representation has not been carefully studied in the literature. In this paper we study quantile regression as an example of learning in a RKHS. In this case, the regular squared norm penalty does not perform training data selection. We propose a data sparsity constraint that imposes thresholding on the kernel function coefficients to achieve a sparse kernel function representation. We demonstrate that the proposed data sparsity method can have competitive prediction performance for certain situations, and have comparable performance in other cases compared to that of the traditional squared norm penalty. Therefore, the data sparsity method can serve as a competitive alternative to the squared norm penalty method. Some theoretical properties of our proposed method using the data sparsity constraint are obtained. Both simulated and real data sets are used to demonstrate the usefulness of our data sparsity constraint. PMID:27134575

Brain tumor image segmentation using kernel dictionary learning.

PubMed

Jeon Lee; Seung-Jun Kim; Rong Chen; Herskovits, Edward H

2015-08-01

Automated brain tumor image segmentation with high accuracy and reproducibility holds a big potential to enhance the current clinical practice. Dictionary learning (DL) techniques have been applied successfully to various image processing tasks recently. In this work, kernel extensions of the DL approach are adopted. Both reconstructive and discriminative versions of the kernel DL technique are considered, which can efficiently incorporate multi-modal nonlinear feature mappings based on the kernel trick. Our novel discriminative kernel DL formulation allows joint learning of a task-driven kernel-based dictionary and a linear classifier using a K-SVD-type algorithm. The proposed approaches were tested using real brain magnetic resonance (MR) images of patients with high-grade glioma. The obtained preliminary performances are competitive with the state of the art. The discriminative kernel DL approach is seen to reduce computational burden without much sacrifice in performance.

Kernels, Degrees of Freedom, and Power Properties of Quadratic Distance Goodness-of-Fit Tests

PubMed Central

Lindsay, Bruce G.; Markatou, Marianthi; Ray, Surajit

2014-01-01

In this article, we study the power properties of quadratic-distance-based goodness-of-fit tests. First, we introduce the concept of a root kernel and discuss the considerations that enter the selection of this kernel. We derive an easy to use normal approximation to the power of quadratic distance goodness-of-fit tests and base the construction of a noncentrality index, an analogue of the traditional noncentrality parameter, on it. This leads to a method akin to the Neyman-Pearson lemma for constructing optimal kernels for specific alternatives. We then introduce a midpower analysis as a device for choosing optimal degrees of freedom for a family of alternatives of interest. Finally, we introduce a new diffusion kernel, called the Pearson-normal kernel, and study the extent to which the normal approximation to the power of tests based on this kernel is valid. Supplementary materials for this article are available online. PMID:24764609

Numerical study of the ignition behavior of a post-discharge kernel injected into a turbulent stratified cross-flow

NASA Astrophysics Data System (ADS)

Jaravel, Thomas; Labahn, Jeffrey; Ihme, Matthias

2017-11-01

The reliable initiation of flame ignition by high-energy spark kernels is critical for the operability of aviation gas turbines. The evolution of a spark kernel ejected by an igniter into a turbulent stratified environment is investigated using detailed numerical simulations with complex chemistry. At early times post ejection, comparisons of simulation results with high-speed Schlieren data show that the initial trajectory of the kernel is well reproduced, with a significant amount of air entrainment from the surrounding flow that is induced by the kernel ejection. After transiting in a non-flammable mixture, the kernel reaches a second stream of flammable methane-air mixture, where the successful of the kernel ignition was found to depend on the local flow state and operating conditions. By performing parametric studies, the probability of kernel ignition was identified, and compared with experimental observations. The ignition behavior is characterized by analyzing the local chemical structure, and its stochastic variability is also investigated.

Putting Priors in Mixture Density Mercer Kernels

NASA Technical Reports Server (NTRS)

Srivastava, Ashok N.; Schumann, Johann; Fischer, Bernd

2004-01-01

This paper presents a new methodology for automatic knowledge driven data mining based on the theory of Mercer Kernels, which are highly nonlinear symmetric positive definite mappings from the original image space to a very high, possibly infinite dimensional feature space. We describe a new method called Mixture Density Mercer Kernels to learn kernel function directly from data, rather than using predefined kernels. These data adaptive kernels can en- code prior knowledge in the kernel using a Bayesian formulation, thus allowing for physical information to be encoded in the model. We compare the results with existing algorithms on data from the Sloan Digital Sky Survey (SDSS). The code for these experiments has been generated with the AUTOBAYES tool, which automatically generates efficient and documented C/C++ code from abstract statistical model specifications. The core of the system is a schema library which contains template for learning and knowledge discovery algorithms like different versions of EM, or numeric optimization methods like conjugate gradient methods. The template instantiation is supported by symbolic- algebraic computations, which allows AUTOBAYES to find closed-form solutions and, where possible, to integrate them into the code. The results show that the Mixture Density Mercer-Kernel described here outperforms tree-based classification in distinguishing high-redshift galaxies from low- redshift galaxies by approximately 16% on test data, bagged trees by approximately 7%, and bagged trees built on a much larger sample of data by approximately 2%.

An accurate and efficient method for evaluating the kernel of the integral equation relating pressure to normalwash in unsteady potential flow

NASA Technical Reports Server (NTRS)

Desmarais, R. N.

1982-01-01

This paper describes an accurate economical method for generating approximations to the kernel of the integral equation relating unsteady pressure to normalwash in nonplanar flow. The method is capable of generating approximations of arbitrary accuracy. It is based on approximating the algebraic part of the non elementary integrals in the kernel by exponential approximations and then integrating termwise. The exponent spacing in the approximation is a geometric sequence. The coefficients and exponent multiplier of the exponential approximation are computed by least squares so the method is completely automated. Exponential approximates generated in this manner are two orders of magnitude more accurate than the exponential approximation that is currently most often used for this purpose. Coefficients for 8, 12, 24, and 72 term approximations are tabulated in the report. Also, since the method is automated, it can be used to generate approximations to attain any desired trade-off between accuracy and computing cost.

Nonlinear association criterion, nonlinear Granger causality and related issues with applications to neuroimage studies.

PubMed

Tao, Chenyang; Feng, Jianfeng

2016-03-15

Quantifying associations in neuroscience (and many other scientific disciplines) is often challenged by high-dimensionality, nonlinearity and noisy observations. Many classic methods have either poor power or poor scalability on data sets of the same or different scales such as genetical, physiological and image data. Based on the framework of reproducing kernel Hilbert spaces we proposed a new nonlinear association criteria (NAC) with an efficient numerical algorithm and p-value approximation scheme. We also presented mathematical justification that links the proposed method to related methods such as kernel generalized variance, kernel canonical correlation analysis and Hilbert-Schmidt independence criteria. NAC allows the detection of association between arbitrary input domain as long as a characteristic kernel is defined. A MATLAB package was provided to facilitate applications. Extensive simulation examples and four real world neuroscience examples including functional MRI causality, Calcium imaging and imaging genetic studies on autism [Brain, 138(5):13821393 (2015)] and alcohol addiction [PNAS, 112(30):E4085-E4093 (2015)] are used to benchmark NAC. It demonstrates the superior performance over the existing procedures we tested and also yields biologically significant results for the real world examples. NAC beats its linear counterparts when nonlinearity is presented in the data. It also shows more robustness against different experimental setups compared with its nonlinear counterparts. In this work we presented a new and robust statistical approach NAC for measuring associations. It could serve as an interesting alternative to the existing methods for datasets where nonlinearity and other confounding factors are present. Copyright © 2016 Elsevier B.V. All rights reserved.

A kernel adaptive algorithm for quaternion-valued inputs.

PubMed

Paul, Thomas K; Ogunfunmi, Tokunbo

2015-10-01

The use of quaternion data can provide benefit in applications like robotics and image recognition, and particularly for performing transforms in 3-D space. Here, we describe a kernel adaptive algorithm for quaternions. A least mean square (LMS)-based method was used, resulting in the derivation of the quaternion kernel LMS (Quat-KLMS) algorithm. Deriving this algorithm required describing the idea of a quaternion reproducing kernel Hilbert space (RKHS), as well as kernel functions suitable with quaternions. A modified HR calculus for Hilbert spaces was used to find the gradient of cost functions defined on a quaternion RKHS. In addition, the use of widely linear (or augmented) filtering is proposed to improve performance. The benefit of the Quat-KLMS and widely linear forms in learning nonlinear transformations of quaternion data are illustrated with simulations.

Free Energy Contribution Analysis Using Response Kernel Approximation: Insights into the Acylation Reaction of a Beta-Lactamase.

PubMed

Asada, Toshio; Ando, Kanta; Bandyopadhyay, Pradipta; Koseki, Shiro

2016-09-08

A widely applicable free energy contribution analysis (FECA) method based on the quantum mechanical/molecular mechanical (QM/MM) approximation using response kernel approaches has been proposed to investigate the influences of environmental residues and/or atoms in the QM region on the free energy profile. This method can evaluate atomic contributions to the free energy along the reaction path including polarization effects on the QM region within a dramatically reduced computational time. The rate-limiting step in the deactivation of the β-lactam antibiotic cefalotin (CLS) by β-lactamase was studied using this method. The experimentally observed activation barrier was successfully reproduced by free energy perturbation calculations along the optimized reaction path that involved activation by the carboxylate moiety in CLS. It was found that the free energy profile in the QM region was slightly higher than the isolated energy and that two residues, Lys67 and Lys315, as well as water molecules deeply influenced the QM atoms associated with the bond alternation reaction in the acyl-enzyme intermediate. These facts suggested that the surrounding residues are favorable for the reactant complex and prevent the intermediate from being too stabilized to proceed to the following deacylation reaction. We have demonstrated that the free energy contribution analysis should be a useful method to investigate enzyme catalysis and to facilitate intelligent molecular design.

Adaptive learning in complex reproducing kernel Hilbert spaces employing Wirtinger's subgradients.

PubMed

Bouboulis, Pantelis; Slavakis, Konstantinos; Theodoridis, Sergios

2012-03-01

This paper presents a wide framework for non-linear online supervised learning tasks in the context of complex valued signal processing. The (complex) input data are mapped into a complex reproducing kernel Hilbert space (RKHS), where the learning phase is taking place. Both pure complex kernels and real kernels (via the complexification trick) can be employed. Moreover, any convex, continuous and not necessarily differentiable function can be used to measure the loss between the output of the specific system and the desired response. The only requirement is the subgradient of the adopted loss function to be available in an analytic form. In order to derive analytically the subgradients, the principles of the (recently developed) Wirtinger's calculus in complex RKHS are exploited. Furthermore, both linear and widely linear (in RKHS) estimation filters are considered. To cope with the problem of increasing memory requirements, which is present in almost all online schemes in RKHS, the sparsification scheme, based on projection onto closed balls, has been adopted. We demonstrate the effectiveness of the proposed framework in a non-linear channel identification task, a non-linear channel equalization problem and a quadrature phase shift keying equalization scheme, using both circular and non circular synthetic signal sources.

Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: a comparison of three relativistic computational methods.

PubMed

Arcisauskaite, Vaida; Melo, Juan I; Hemmingsen, Lars; Sauer, Stephan P A

2011-07-28

We investigate the importance of relativistic effects on NMR shielding constants and chemical shifts of linear HgL(2) (L = Cl, Br, I, CH(3)) compounds using three different relativistic methods: the fully relativistic four-component approach and the two-component approximations, linear response elimination of small component (LR-ESC) and zeroth-order regular approximation (ZORA). LR-ESC reproduces successfully the four-component results for the C shielding constant in Hg(CH(3))(2) within 6 ppm, but fails to reproduce the Hg shielding constants and chemical shifts. The latter is mainly due to an underestimation of the change in spin-orbit contribution. Even though ZORA underestimates the absolute Hg NMR shielding constants by ∼2100 ppm, the differences between Hg chemical shift values obtained using ZORA and the four-component approach without spin-density contribution to the exchange-correlation (XC) kernel are less than 60 ppm for all compounds using three different functionals, BP86, B3LYP, and PBE0. However, larger deviations (up to 366 ppm) occur for Hg chemical shifts in HgBr(2) and HgI(2) when ZORA results are compared with four-component calculations with non-collinear spin-density contribution to the XC kernel. For the ZORA calculations it is necessary to use large basis sets (QZ4P) and the TZ2P basis set may give errors of ∼500 ppm for the Hg chemical shifts, despite deceivingly good agreement with experimental data. A Gaussian nucleus model for the Coulomb potential reduces the Hg shielding constants by ∼100-500 ppm and the Hg chemical shifts by 1-143 ppm compared to the point nucleus model depending on the atomic number Z of the coordinating atom and the level of theory. The effect on the shielding constants of the lighter nuclei (C, Cl, Br, I) is, however, negligible. © 2011 American Institute of Physics

Multiscale asymmetric orthogonal wavelet kernel for linear programming support vector learning and nonlinear dynamic systems identification.

PubMed

Lu, Zhao; Sun, Jing; Butts, Kenneth

2014-05-01

Support vector regression for approximating nonlinear dynamic systems is more delicate than the approximation of indicator functions in support vector classification, particularly for systems that involve multitudes of time scales in their sampled data. The kernel used for support vector learning determines the class of functions from which a support vector machine can draw its solution, and the choice of kernel significantly influences the performance of a support vector machine. In this paper, to bridge the gap between wavelet multiresolution analysis and kernel learning, the closed-form orthogonal wavelet is exploited to construct new multiscale asymmetric orthogonal wavelet kernels for linear programming support vector learning. The closed-form multiscale orthogonal wavelet kernel provides a systematic framework to implement multiscale kernel learning via dyadic dilations and also enables us to represent complex nonlinear dynamics effectively. To demonstrate the superiority of the proposed multiscale wavelet kernel in identifying complex nonlinear dynamic systems, two case studies are presented that aim at building parallel models on benchmark datasets. The development of parallel models that address the long-term/mid-term prediction issue is more intricate and challenging than the identification of series-parallel models where only one-step ahead prediction is required. Simulation results illustrate the effectiveness of the proposed multiscale kernel learning.

Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in the QM/MM scheme.

PubMed

Asada, Toshio; Ando, Kanta; Sakurai, Koji; Koseki, Shiro; Nagaoka, Masataka

2015-10-28

An efficient approach to evaluate free energy gradients (FEGs) within the quantum mechanical/molecular mechanical (QM/MM) framework has been proposed to clarify reaction processes on the free energy surface (FES) in molecular assemblies. The method is based on response kernel approximations denoted as the charge and the atom dipole response kernel (CDRK) model that include explicitly induced atom dipoles. The CDRK model was able to reproduce polarization effects for both electrostatic interactions between QM and MM regions and internal energies in the QM region obtained by conventional QM/MM methods. In contrast to charge response kernel (CRK) models, CDRK models could be applied to various kinds of molecules, even linear or planer molecules, without using imaginary interaction sites. Use of the CDRK model enabled us to obtain FEGs on QM atoms in significantly reduced computational time. It was also clearly demonstrated that the time development of QM forces of the solvated propylene carbonate radical cation (PC˙(+)) provided reliable results for 1 ns molecular dynamics (MD) simulation, which were quantitatively in good agreement with expensive QM/MM results. Using FEG and nudged elastic band (NEB) methods, we found two optimized reaction paths on the FES for decomposition reactions to generate CO2 molecules from PC˙(+), whose reaction is known as one of the degradation mechanisms in the lithium-ion battery. Two of these reactions proceed through an identical intermediate structure whose molecular dipole moment is larger than that of the reactant to be stabilized in the solvent, which has a high relative dielectric constant. Thus, in order to prevent decomposition reactions, PC˙(+) should be modified to have a smaller dipole moment along two reaction paths.

CRKSPH: A new meshfree hydrodynamics method with applications to astrophysics

NASA Astrophysics Data System (ADS)

Owen, John Michael; Raskin, Cody; Frontiere, Nicholas

2018-01-01

The study of astrophysical phenomena such as supernovae, accretion disks, galaxy formation, and large-scale structure formation requires computational modeling of, at a minimum, hydrodynamics and gravity. Developing numerical methods appropriate for these kinds of problems requires a number of properties: shock-capturing hydrodynamics benefits from rigorous conservation of invariants such as total energy, linear momentum, and mass; lack of obvious symmetries or a simplified spatial geometry to exploit necessitate 3D methods that ideally are Galilean invariant; the dynamic range of mass and spatial scales that need to be resolved can span many orders of magnitude, requiring methods that are highly adaptable in their space and time resolution. We have developed a new Lagrangian meshfree hydrodynamics method called Conservative Reproducing Kernel Smoothed Particle Hydrodynamics, or CRKSPH, in order to meet these goals. CRKSPH is a conservative generalization of the meshfree reproducing kernel method, combining the high-order accuracy of reproducing kernels with the explicit conservation of mass, linear momentum, and energy necessary to study shock-driven hydrodynamics in compressible fluids. CRKSPH's Lagrangian, particle-like nature makes it simple to combine with well-known N-body methods for modeling gravitation, similar to the older Smoothed Particle Hydrodynamics (SPH) method. Indeed, CRKSPH can be substituted for SPH in existing SPH codes due to these similarities. In comparison to SPH, CRKSPH is able to achieve substantially higher accuracy for a given number of points due to the explicitly consistent (and higher-order) interpolation theory of reproducing kernels, while maintaining the same conservation principles (and therefore applicability) as SPH. There are currently two coded implementations of CRKSPH available: one in the open-source research code Spheral, and the other in the high-performance cosmological code HACC. Using these codes we have applied CRKSPH to a number of astrophysical scenarios, such as rotating gaseous disks, supernova remnants, and large-scale cosmological structure formation. In this poster we present an overview of CRKSPH and show examples of these astrophysical applications.

Parametric output-only identification of time-varying structures using a kernel recursive extended least squares TARMA approach

NASA Astrophysics Data System (ADS)

Ma, Zhi-Sai; Liu, Li; Zhou, Si-Da; Yu, Lei; Naets, Frank; Heylen, Ward; Desmet, Wim

2018-01-01

The problem of parametric output-only identification of time-varying structures in a recursive manner is considered. A kernelized time-dependent autoregressive moving average (TARMA) model is proposed by expanding the time-varying model parameters onto the basis set of kernel functions in a reproducing kernel Hilbert space. An exponentially weighted kernel recursive extended least squares TARMA identification scheme is proposed, and a sliding-window technique is subsequently applied to fix the computational complexity for each consecutive update, allowing the method to operate online in time-varying environments. The proposed sliding-window exponentially weighted kernel recursive extended least squares TARMA method is employed for the identification of a laboratory time-varying structure consisting of a simply supported beam and a moving mass sliding on it. The proposed method is comparatively assessed against an existing recursive pseudo-linear regression TARMA method via Monte Carlo experiments and shown to be capable of accurately tracking the time-varying dynamics. Furthermore, the comparisons demonstrate the superior achievable accuracy, lower computational complexity and enhanced online identification capability of the proposed kernel recursive extended least squares TARMA approach.

Tocochromanols composition in kernels recovered from different apricot varieties: RP-HPLC/FLD and RP-UPLC-ESI/MS(n) study.

PubMed

Górnaś, Paweł; Mišina, Inga; Grāvīte, Ilze; Soliven, Arianne; Kaufmane, Edīte; Segliņa, Dalija

2015-01-01

Composition of tocochromanols in kernels recovered from 16 different apricot varieties (Prunus armeniaca L.) was studied. Three tocopherol (T) homologues, namely α, γ and δ, were quantified in all tested samples by an RP-HPLC/FLD method. The γ-T was the main tocopherol homologue identified in apricot kernels and constituted approximately 93% of total detected tocopherols. The RP-UPLC-ESI/MS(n) method detected trace amounts of two tocotrienol homologues α and γ in the apricot kernels. The concentration of individual tocopherol homologues in kernels of different apricots varieties, expressed in mg/100 g dwb, was in the following range: 1.38-4.41 (α-T), 42.48-73.27 (γ-T) and 0.77-2.09 (δ-T). Moreover, the ratio between individual tocopherol homologues α:γ:δ was nearly constant in all varieties and amounted to approximately 2:39:1.

Coupling individual kernel-filling processes with source-sink interactions into GREENLAB-Maize.

PubMed

Ma, Yuntao; Chen, Youjia; Zhu, Jinyu; Meng, Lei; Guo, Yan; Li, Baoguo; Hoogenboom, Gerrit

2018-02-13

Failure to account for the variation of kernel growth in a cereal crop simulation model may cause serious deviations in the estimates of crop yield. The goal of this research was to revise the GREENLAB-Maize model to incorporate source- and sink-limited allocation approaches to simulate the dry matter accumulation of individual kernels of an ear (GREENLAB-Maize-Kernel). The model used potential individual kernel growth rates to characterize the individual potential sink demand. The remobilization of non-structural carbohydrates from reserve organs to kernels was also incorporated. Two years of field experiments were conducted to determine the model parameter values and to evaluate the model using two maize hybrids with different plant densities and pollination treatments. Detailed observations were made on the dimensions and dry weights of individual kernels and other above-ground plant organs throughout the seasons. Three basic traits characterizing an individual kernel were compared on simulated and measured individual kernels: (1) final kernel size; (2) kernel growth rate; and (3) duration of kernel filling. Simulations of individual kernel growth closely corresponded to experimental data. The model was able to reproduce the observed dry weight of plant organs well. Then, the source-sink dynamics and the remobilization of carbohydrates for kernel growth were quantified to show that remobilization processes accompanied source-sink dynamics during the kernel-filling process. We conclude that the model may be used to explore options for optimizing plant kernel yield by matching maize management to the environment, taking into account responses at the level of individual kernels. © The Author(s) 2018. Published by Oxford University Press on behalf of the Annals of Botany Company. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Biologically-Inspired Spike-Based Automatic Speech Recognition of Isolated Digits Over a Reproducing Kernel Hilbert Space

PubMed Central

Li, Kan; Príncipe, José C.

2018-01-01

This paper presents a novel real-time dynamic framework for quantifying time-series structure in spoken words using spikes. Audio signals are converted into multi-channel spike trains using a biologically-inspired leaky integrate-and-fire (LIF) spike generator. These spike trains are mapped into a function space of infinite dimension, i.e., a Reproducing Kernel Hilbert Space (RKHS) using point-process kernels, where a state-space model learns the dynamics of the multidimensional spike input using gradient descent learning. This kernelized recurrent system is very parsimonious and achieves the necessary memory depth via feedback of its internal states when trained discriminatively, utilizing the full context of the phoneme sequence. A main advantage of modeling nonlinear dynamics using state-space trajectories in the RKHS is that it imposes no restriction on the relationship between the exogenous input and its internal state. We are free to choose the input representation with an appropriate kernel, and changing the kernel does not impact the system nor the learning algorithm. Moreover, we show that this novel framework can outperform both traditional hidden Markov model (HMM) speech processing as well as neuromorphic implementations based on spiking neural network (SNN), yielding accurate and ultra-low power word spotters. As a proof of concept, we demonstrate its capabilities using the benchmark TI-46 digit corpus for isolated-word automatic speech recognition (ASR) or keyword spotting. Compared to HMM using Mel-frequency cepstral coefficient (MFCC) front-end without time-derivatives, our MFCC-KAARMA offered improved performance. For spike-train front-end, spike-KAARMA also outperformed state-of-the-art SNN solutions. Furthermore, compared to MFCCs, spike trains provided enhanced noise robustness in certain low signal-to-noise ratio (SNR) regime. PMID:29666568

Biologically-Inspired Spike-Based Automatic Speech Recognition of Isolated Digits Over a Reproducing Kernel Hilbert Space.

PubMed

Li, Kan; Príncipe, José C

2018-01-01

This paper presents a novel real-time dynamic framework for quantifying time-series structure in spoken words using spikes. Audio signals are converted into multi-channel spike trains using a biologically-inspired leaky integrate-and-fire (LIF) spike generator. These spike trains are mapped into a function space of infinite dimension, i.e., a Reproducing Kernel Hilbert Space (RKHS) using point-process kernels, where a state-space model learns the dynamics of the multidimensional spike input using gradient descent learning. This kernelized recurrent system is very parsimonious and achieves the necessary memory depth via feedback of its internal states when trained discriminatively, utilizing the full context of the phoneme sequence. A main advantage of modeling nonlinear dynamics using state-space trajectories in the RKHS is that it imposes no restriction on the relationship between the exogenous input and its internal state. We are free to choose the input representation with an appropriate kernel, and changing the kernel does not impact the system nor the learning algorithm. Moreover, we show that this novel framework can outperform both traditional hidden Markov model (HMM) speech processing as well as neuromorphic implementations based on spiking neural network (SNN), yielding accurate and ultra-low power word spotters. As a proof of concept, we demonstrate its capabilities using the benchmark TI-46 digit corpus for isolated-word automatic speech recognition (ASR) or keyword spotting. Compared to HMM using Mel-frequency cepstral coefficient (MFCC) front-end without time-derivatives, our MFCC-KAARMA offered improved performance. For spike-train front-end, spike-KAARMA also outperformed state-of-the-art SNN solutions. Furthermore, compared to MFCCs, spike trains provided enhanced noise robustness in certain low signal-to-noise ratio (SNR) regime.

Incorporation of memory effects in coarse-grained modeling via the Mori-Zwanzig formalism

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

Li, Zhen; Bian, Xin; Karniadakis, George Em, E-mail: george-karniadakis@brown.edu

2015-12-28

The Mori-Zwanzig formalism for coarse-graining a complex dynamical system typically introduces memory effects. The Markovian assumption of delta-correlated fluctuating forces is often employed to simplify the formulation of coarse-grained (CG) models and numerical implementations. However, when the time scales of a system are not clearly separated, the memory effects become strong and the Markovian assumption becomes inaccurate. To this end, we incorporate memory effects into CG modeling by preserving non-Markovian interactions between CG variables, and the memory kernel is evaluated directly from microscopic dynamics. For a specific example, molecular dynamics (MD) simulations of star polymer melts are performed while themore » corresponding CG system is defined by grouping many bonded atoms into single clusters. Then, the effective interactions between CG clusters as well as the memory kernel are obtained from the MD simulations. The constructed CG force field with a memory kernel leads to a non-Markovian dissipative particle dynamics (NM-DPD). Quantitative comparisons between the CG models with Markovian and non-Markovian approximations indicate that including the memory effects using NM-DPD yields similar results as the Markovian-based DPD if the system has clear time scale separation. However, for systems with small separation of time scales, NM-DPD can reproduce correct short-time properties that are related to how the system responds to high-frequency disturbances, which cannot be captured by the Markovian-based DPD model.« less

Gradient descent for robust kernel-based regression

NASA Astrophysics Data System (ADS)

Guo, Zheng-Chu; Hu, Ting; Shi, Lei

2018-06-01

In this paper, we study the gradient descent algorithm generated by a robust loss function over a reproducing kernel Hilbert space (RKHS). The loss function is defined by a windowing function G and a scale parameter σ, which can include a wide range of commonly used robust losses for regression. There is still a gap between theoretical analysis and optimization process of empirical risk minimization based on loss: the estimator needs to be global optimal in the theoretical analysis while the optimization method can not ensure the global optimality of its solutions. In this paper, we aim to fill this gap by developing a novel theoretical analysis on the performance of estimators generated by the gradient descent algorithm. We demonstrate that with an appropriately chosen scale parameter σ, the gradient update with early stopping rules can approximate the regression function. Our elegant error analysis can lead to convergence in the standard L 2 norm and the strong RKHS norm, both of which are optimal in the mini-max sense. We show that the scale parameter σ plays an important role in providing robustness as well as fast convergence. The numerical experiments implemented on synthetic examples and real data set also support our theoretical results.

Kernel Wiener filter and its application to pattern recognition.

PubMed

Yoshino, Hirokazu; Dong, Chen; Washizawa, Yoshikazu; Yamashita, Yukihiko

2010-11-01

The Wiener filter (WF) is widely used for inverse problems. From an observed signal, it provides the best estimated signal with respect to the squared error averaged over the original and the observed signals among linear operators. The kernel WF (KWF), extended directly from WF, has a problem that an additive noise has to be handled by samples. Since the computational complexity of kernel methods depends on the number of samples, a huge computational cost is necessary for the case. By using the first-order approximation of kernel functions, we realize KWF that can handle such a noise not by samples but as a random variable. We also propose the error estimation method for kernel filters by using the approximations. In order to show the advantages of the proposed methods, we conducted the experiments to denoise images and estimate errors. We also apply KWF to classification since KWF can provide an approximated result of the maximum a posteriori classifier that provides the best recognition accuracy. The noise term in the criterion can be used for the classification in the presence of noise or a new regularization to suppress changes in the input space, whereas the ordinary regularization for the kernel method suppresses changes in the feature space. In order to show the advantages of the proposed methods, we conducted experiments of binary and multiclass classifications and classification in the presence of noise.

Computed tomography coronary stent imaging with iterative reconstruction: a trade-off study between medium kernel and sharp kernel.

PubMed

Zhou, Qijing; Jiang, Biao; Dong, Fei; Huang, Peiyu; Liu, Hongtao; Zhang, Minming

2014-01-01

To evaluate the improvement of iterative reconstruction in image space (IRIS) technique in computed tomographic (CT) coronary stent imaging with sharp kernel, and to make a trade-off analysis. Fifty-six patients with 105 stents were examined by 128-slice dual-source CT coronary angiography (CTCA). Images were reconstructed using standard filtered back projection (FBP) and IRIS with both medium kernel and sharp kernel applied. Image noise and the stent diameter were investigated. Image noise was measured both in background vessel and in-stent lumen as objective image evaluation. Image noise score and stent score were performed as subjective image evaluation. The CTCA images reconstructed with IRIS were associated with significant noise reduction compared to that of CTCA images reconstructed using FBP technique in both of background vessel and in-stent lumen (the background noise decreased by approximately 25.4% ± 8.2% in medium kernel (P

An accurate method for evaluating the kernel of the integral equation relating lift to downwash in unsteady potential flow

NASA Technical Reports Server (NTRS)

Desmarais, R. N.

1982-01-01

The method is capable of generating approximations of arbitrary accuracy. It is based on approximating the algebraic part of the nonelementary integrals in the kernel by exponential functions and then integrating termwise. The exponent spacing in the approximation is a geometric sequence. The coefficients and exponent multiplier of the exponential approximation are computed by least squares so the method is completely automated. Exponential approximates generated in this manner are two orders of magnitude more accurate than the exponential approximation that is currently most often used for this purpose. The method can be used to generate approximations to attain any desired trade-off between accuracy and computing cost.

A Linear Kernel for Co-Path/Cycle Packing

NASA Astrophysics Data System (ADS)

Chen, Zhi-Zhong; Fellows, Michael; Fu, Bin; Jiang, Haitao; Liu, Yang; Wang, Lusheng; Zhu, Binhai

Bounded-Degree Vertex Deletion is a fundamental problem in graph theory that has new applications in computational biology. In this paper, we address a special case of Bounded-Degree Vertex Deletion, the Co-Path/Cycle Packing problem, which asks to delete as few vertices as possible such that the graph of the remaining (residual) vertices is composed of disjoint paths and simple cycles. The problem falls into the well-known class of 'node-deletion problems with hereditary properties', is hence NP-complete and unlikely to admit a polynomial time approximation algorithm with approximation factor smaller than 2. In the framework of parameterized complexity, we present a kernelization algorithm that produces a kernel with at most 37k vertices, improving on the super-linear kernel of Fellows et al.'s general theorem for Bounded-Degree Vertex Deletion. Using this kernel,and the method of bounded search trees, we devise an FPT algorithm that runs in time O *(3.24 k ). On the negative side, we show that the problem is APX-hard and unlikely to have a kernel smaller than 2k by a reduction from Vertex Cover.

Structured functional additive regression in reproducing kernel Hilbert spaces.

PubMed

Zhu, Hongxiao; Yao, Fang; Zhang, Hao Helen

2014-06-01

Functional additive models (FAMs) provide a flexible yet simple framework for regressions involving functional predictors. The utilization of data-driven basis in an additive rather than linear structure naturally extends the classical functional linear model. However, the critical issue of selecting nonlinear additive components has been less studied. In this work, we propose a new regularization framework for the structure estimation in the context of Reproducing Kernel Hilbert Spaces. The proposed approach takes advantage of the functional principal components which greatly facilitates the implementation and the theoretical analysis. The selection and estimation are achieved by penalized least squares using a penalty which encourages the sparse structure of the additive components. Theoretical properties such as the rate of convergence are investigated. The empirical performance is demonstrated through simulation studies and a real data application.

Improved dynamical scaling analysis using the kernel method for nonequilibrium relaxation.

PubMed

Echinaka, Yuki; Ozeki, Yukiyasu

2016-10-01

The dynamical scaling analysis for the Kosterlitz-Thouless transition in the nonequilibrium relaxation method is improved by the use of Bayesian statistics and the kernel method. This allows data to be fitted to a scaling function without using any parametric model function, which makes the results more reliable and reproducible and enables automatic and faster parameter estimation. Applying this method, the bootstrap method is introduced and a numerical discrimination for the transition type is proposed.

Scalable Nonparametric Low-Rank Kernel Learning Using Block Coordinate Descent.

PubMed

Hu, En-Liang; Kwok, James T

2015-09-01

Nonparametric kernel learning (NPKL) is a flexible approach to learn the kernel matrix directly without assuming any parametric form. It can be naturally formulated as a semidefinite program (SDP), which, however, is not very scalable. To address this problem, we propose the combined use of low-rank approximation and block coordinate descent (BCD). Low-rank approximation avoids the expensive positive semidefinite constraint in the SDP by replacing the kernel matrix variable with V(T)V, where V is a low-rank matrix. The resultant nonlinear optimization problem is then solved by BCD, which optimizes each column of V sequentially. It can be shown that the proposed algorithm has nice convergence properties and low computational complexities. Experiments on a number of real-world data sets show that the proposed algorithm outperforms state-of-the-art NPKL solvers.

The Influence of Reconstruction Kernel on Bone Mineral and Strength Estimates Using Quantitative Computed Tomography and Finite Element Analysis.

PubMed

Michalski, Andrew S; Edwards, W Brent; Boyd, Steven K

2017-10-17

Quantitative computed tomography has been posed as an alternative imaging modality to investigate osteoporosis. We examined the influence of computed tomography convolution back-projection reconstruction kernels on the analysis of bone quantity and estimated mechanical properties in the proximal femur. Eighteen computed tomography scans of the proximal femur were reconstructed using both a standard smoothing reconstruction kernel and a bone-sharpening reconstruction kernel. Following phantom-based density calibration, we calculated typical bone quantity outcomes of integral volumetric bone mineral density, bone volume, and bone mineral content. Additionally, we performed finite element analysis in a standard sideways fall on the hip loading configuration. Significant differences for all outcome measures, except integral bone volume, were observed between the 2 reconstruction kernels. Volumetric bone mineral density measured using images reconstructed by the standard kernel was significantly lower (6.7%, p < 0.001) when compared with images reconstructed using the bone-sharpening kernel. Furthermore, the whole-bone stiffness and the failure load measured in images reconstructed by the standard kernel were significantly lower (16.5%, p < 0.001, and 18.2%, p < 0.001, respectively) when compared with the image reconstructed by the bone-sharpening kernel. These data suggest that for future quantitative computed tomography studies, a standardized reconstruction kernel will maximize reproducibility, independent of the use of a quantitative calibration phantom. Copyright © 2017 The International Society for Clinical Densitometry. Published by Elsevier Inc. All rights reserved.

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

PubMed

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

2010-06-01

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

Genomic Prediction of Genotype × Environment Interaction Kernel Regression Models.

PubMed

Cuevas, Jaime; Crossa, José; Soberanis, Víctor; Pérez-Elizalde, Sergio; Pérez-Rodríguez, Paulino; Campos, Gustavo de Los; Montesinos-López, O A; Burgueño, Juan

2016-11-01

In genomic selection (GS), genotype × environment interaction (G × E) can be modeled by a marker × environment interaction (M × E). The G × E may be modeled through a linear kernel or a nonlinear (Gaussian) kernel. In this study, we propose using two nonlinear Gaussian kernels: the reproducing kernel Hilbert space with kernel averaging (RKHS KA) and the Gaussian kernel with the bandwidth estimated through an empirical Bayesian method (RKHS EB). We performed single-environment analyses and extended to account for G × E interaction (GBLUP-G × E, RKHS KA-G × E and RKHS EB-G × E) in wheat ( L.) and maize ( L.) data sets. For single-environment analyses of wheat and maize data sets, RKHS EB and RKHS KA had higher prediction accuracy than GBLUP for all environments. For the wheat data, the RKHS KA-G × E and RKHS EB-G × E models did show up to 60 to 68% superiority over the corresponding single environment for pairs of environments with positive correlations. For the wheat data set, the models with Gaussian kernels had accuracies up to 17% higher than that of GBLUP-G × E. For the maize data set, the prediction accuracy of RKHS EB-G × E and RKHS KA-G × E was, on average, 5 to 6% higher than that of GBLUP-G × E. The superiority of the Gaussian kernel models over the linear kernel is due to more flexible kernels that accounts for small, more complex marker main effects and marker-specific interaction effects. Copyright © 2016 Crop Science Society of America.

Hermite polynomials and quasi-classical asymptotics

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

Ali, S. Twareque, E-mail: twareque.ali@concordia.ca; Engliš, Miroslav, E-mail: englis@math.cas.cz

2014-04-15

We study an unorthodox variant of the Berezin-Toeplitz type of quantization scheme, on a reproducing kernel Hilbert space generated by the real Hermite polynomials and work out the associated quasi-classical asymptotics.

Identification and reproducibility of dietary patterns in a Danish cohort: the Inter99 study.

PubMed

Lau, Cathrine; Glümer, Charlotte; Toft, Ulla; Tetens, Inge; Carstensen, Bendix; Jørgensen, Torben; Borch-Johnsen, Knut

2008-05-01

We aimed to identify dietary patterns in a Danish adult population and assess the reproducibility of the dietary patterns identified. Baseline data of 3,372 women and 3,191 men (30-60 years old) from the population-based survey Inter99 was used. Food intake, assessed by a FFQ, was aggregated into thirty-four separate food groups. Dietary patterns were identified by principal component analysis. Confirmatory factor analysis and Bland Altman plots were used to assess the reproducibility of the dietary patterns identified. The Bland Altman plots were used as an alternative and new method. Two factors were retained for both women and men, which accounted for 15.1-17.4 % of the total variation. The 'Traditional' pattern was characterised by high loadings ( > or = 0.40) on paté or high-fat meat for sandwiches, mayonnaise salads, red meat, potatoes, butter and lard, low-fat fish, low-fat meat for sandwiches, and sauces. The 'Modern' pattern was characterised by high loadings on vegetables, fruit, mixed vegetable dishes, vegetable oil and vinegar dressing, poultry, and pasta, rice and wheat kernels. Small differences were observed between patterns identified for women and men. The root mean square error approximation from the confirmatory factor analysis was 0.08. The variation observed from the Bland Altman plots of factors from explorative v. confirmative analyses and explorative analyses from two sub-samples was between 18.8 and 47.7 %. Pearson's correlation was >0.89 (P < 0.0001). The reproducibility was better for women than for men. We conclude that the 'Traditional' and 'Modern' dietary patterns identified were reproducible.

Structured functional additive regression in reproducing kernel Hilbert spaces

PubMed Central

Zhu, Hongxiao; Yao, Fang; Zhang, Hao Helen

2013-01-01

Summary Functional additive models (FAMs) provide a flexible yet simple framework for regressions involving functional predictors. The utilization of data-driven basis in an additive rather than linear structure naturally extends the classical functional linear model. However, the critical issue of selecting nonlinear additive components has been less studied. In this work, we propose a new regularization framework for the structure estimation in the context of Reproducing Kernel Hilbert Spaces. The proposed approach takes advantage of the functional principal components which greatly facilitates the implementation and the theoretical analysis. The selection and estimation are achieved by penalized least squares using a penalty which encourages the sparse structure of the additive components. Theoretical properties such as the rate of convergence are investigated. The empirical performance is demonstrated through simulation studies and a real data application. PMID:25013362

Reproducing kernel potential energy surfaces in biomolecular simulations: Nitric oxide binding to myoglobin

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

Soloviov, Maksym; Meuwly, Markus, E-mail: m.meuwly@unibas.ch

2015-09-14

Multidimensional potential energy surfaces based on reproducing kernel-interpolation are employed to explore the energetics and dynamics of free and bound nitric oxide in myoglobin (Mb). Combining a force field description for the majority of degrees of freedom and the higher-accuracy representation for the NO ligand and the Fe out-of-plane motion allows for a simulation approach akin to a mixed quantum mechanics/molecular mechanics treatment. However, the kernel-representation can be evaluated at conventional force-field speed. With the explicit inclusion of the Fe-out-of-plane (Fe-oop) coordinate, the dynamics and structural equilibrium after photodissociation of the ligand are correctly described compared to experiment. Experimentally, themore » Fe-oop coordinate plays an important role for the ligand dynamics. This is also found here where the isomerization dynamics between the Fe–ON and Fe–NO state is significantly affected whether or not this co-ordinate is explicitly included. Although the Fe–ON conformation is metastable when considering only the bound {sup 2}A state, it may disappear once the {sup 4}A state is included. This explains the absence of the Fe–ON state in previous experimental investigations of MbNO.« less

Resummed memory kernels in generalized system-bath master equations

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

Mavros, Michael G.; Van Voorhis, Troy, E-mail: tvan@mit.edu

2014-08-07

Generalized master equations provide a concise formalism for studying reduced population dynamics. Usually, these master equations require a perturbative expansion of the memory kernels governing the dynamics; in order to prevent divergences, these expansions must be resummed. Resummation techniques of perturbation series are ubiquitous in physics, but they have not been readily studied for the time-dependent memory kernels used in generalized master equations. In this paper, we present a comparison of different resummation techniques for such memory kernels up to fourth order. We study specifically the spin-boson Hamiltonian as a model system bath Hamiltonian, treating the diabatic coupling between themore » two states as a perturbation. A novel derivation of the fourth-order memory kernel for the spin-boson problem is presented; then, the second- and fourth-order kernels are evaluated numerically for a variety of spin-boson parameter regimes. We find that resumming the kernels through fourth order using a Padé approximant results in divergent populations in the strong electronic coupling regime due to a singularity introduced by the nature of the resummation, and thus recommend a non-divergent exponential resummation (the “Landau-Zener resummation” of previous work). The inclusion of fourth-order effects in a Landau-Zener-resummed kernel is shown to improve both the dephasing rate and the obedience of detailed balance over simpler prescriptions like the non-interacting blip approximation, showing a relatively quick convergence on the exact answer. The results suggest that including higher-order contributions to the memory kernel of a generalized master equation and performing an appropriate resummation can provide a numerically-exact solution to system-bath dynamics for a general spectral density, opening the way to a new class of methods for treating system-bath dynamics.« less

Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels

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

Patrick, Christopher E., E-mail: chripa@fysik.dtu.dk; Thygesen, Kristian S., E-mail: thygesen@fysik.dtu.dk

2015-09-14

We present calculations of the correlation energies of crystalline solids and isolated systems within the adiabatic-connection fluctuation-dissipation formulation of density-functional theory. We perform a quantitative comparison of a set of model exchange-correlation kernels originally derived for the homogeneous electron gas (HEG), including the recently introduced renormalized adiabatic local-density approximation (rALDA) and also kernels which (a) satisfy known exact limits of the HEG, (b) carry a frequency dependence, or (c) display a 1/k{sup 2} divergence for small wavevectors. After generalizing the kernels to inhomogeneous systems through a reciprocal-space averaging procedure, we calculate the lattice constants and bulk moduli of a testmore » set of 10 solids consisting of tetrahedrally bonded semiconductors (C, Si, SiC), ionic compounds (MgO, LiCl, LiF), and metals (Al, Na, Cu, Pd). We also consider the atomization energy of the H{sub 2} molecule. We compare the results calculated with different kernels to those obtained from the random-phase approximation (RPA) and to experimental measurements. We demonstrate that the model kernels correct the RPA’s tendency to overestimate the magnitude of the correlation energy whilst maintaining a high-accuracy description of structural properties.« less

A scalable kernel-based semisupervised metric learning algorithm with out-of-sample generalization ability.

PubMed

Yeung, Dit-Yan; Chang, Hong; Dai, Guang

2008-11-01

In recent years, metric learning in the semisupervised setting has aroused a lot of research interest. One type of semisupervised metric learning utilizes supervisory information in the form of pairwise similarity or dissimilarity constraints. However, most methods proposed so far are either limited to linear metric learning or unable to scale well with the data set size. In this letter, we propose a nonlinear metric learning method based on the kernel approach. By applying low-rank approximation to the kernel matrix, our method can handle significantly larger data sets. Moreover, our low-rank approximation scheme can naturally lead to out-of-sample generalization. Experiments performed on both artificial and real-world data show very promising results.

A Unified and Comprehensible View of Parametric and Kernel Methods for Genomic Prediction with Application to Rice.

PubMed

Jacquin, Laval; Cao, Tuong-Vi; Ahmadi, Nourollah

2016-01-01

One objective of this study was to provide readers with a clear and unified understanding of parametric statistical and kernel methods, used for genomic prediction, and to compare some of these in the context of rice breeding for quantitative traits. Furthermore, another objective was to provide a simple and user-friendly R package, named KRMM, which allows users to perform RKHS regression with several kernels. After introducing the concept of regularized empirical risk minimization, the connections between well-known parametric and kernel methods such as Ridge regression [i.e., genomic best linear unbiased predictor (GBLUP)] and reproducing kernel Hilbert space (RKHS) regression were reviewed. Ridge regression was then reformulated so as to show and emphasize the advantage of the kernel "trick" concept, exploited by kernel methods in the context of epistatic genetic architectures, over parametric frameworks used by conventional methods. Some parametric and kernel methods; least absolute shrinkage and selection operator (LASSO), GBLUP, support vector machine regression (SVR) and RKHS regression were thereupon compared for their genomic predictive ability in the context of rice breeding using three real data sets. Among the compared methods, RKHS regression and SVR were often the most accurate methods for prediction followed by GBLUP and LASSO. An R function which allows users to perform RR-BLUP of marker effects, GBLUP and RKHS regression, with a Gaussian, Laplacian, polynomial or ANOVA kernel, in a reasonable computation time has been developed. Moreover, a modified version of this function, which allows users to tune kernels for RKHS regression, has also been developed and parallelized for HPC Linux clusters. The corresponding KRMM package and all scripts have been made publicly available.

Epileptic Seizure Detection with Log-Euclidean Gaussian Kernel-Based Sparse Representation.

PubMed

Yuan, Shasha; Zhou, Weidong; Wu, Qi; Zhang, Yanli

2016-05-01

Epileptic seizure detection plays an important role in the diagnosis of epilepsy and reducing the massive workload of reviewing electroencephalography (EEG) recordings. In this work, a novel algorithm is developed to detect seizures employing log-Euclidean Gaussian kernel-based sparse representation (SR) in long-term EEG recordings. Unlike the traditional SR for vector data in Euclidean space, the log-Euclidean Gaussian kernel-based SR framework is proposed for seizure detection in the space of the symmetric positive definite (SPD) matrices, which form a Riemannian manifold. Since the Riemannian manifold is nonlinear, the log-Euclidean Gaussian kernel function is applied to embed it into a reproducing kernel Hilbert space (RKHS) for performing SR. The EEG signals of all channels are divided into epochs and the SPD matrices representing EEG epochs are generated by covariance descriptors. Then, the testing samples are sparsely coded over the dictionary composed by training samples utilizing log-Euclidean Gaussian kernel-based SR. The classification of testing samples is achieved by computing the minimal reconstructed residuals. The proposed method is evaluated on the Freiburg EEG dataset of 21 patients and shows its notable performance on both epoch-based and event-based assessments. Moreover, this method handles multiple channels of EEG recordings synchronously which is more speedy and efficient than traditional seizure detection methods.

Spectral methods in machine learning and new strategies for very large datasets

PubMed Central

Belabbas, Mohamed-Ali; Wolfe, Patrick J.

2009-01-01

Spectral methods are of fundamental importance in statistics and machine learning, because they underlie algorithms from classical principal components analysis to more recent approaches that exploit manifold structure. In most cases, the core technical problem can be reduced to computing a low-rank approximation to a positive-definite kernel. For the growing number of applications dealing with very large or high-dimensional datasets, however, the optimal approximation afforded by an exact spectral decomposition is too costly, because its complexity scales as the cube of either the number of training examples or their dimensionality. Motivated by such applications, we present here 2 new algorithms for the approximation of positive-semidefinite kernels, together with error bounds that improve on results in the literature. We approach this problem by seeking to determine, in an efficient manner, the most informative subset of our data relative to the kernel approximation task at hand. This leads to two new strategies based on the Nyström method that are directly applicable to massive datasets. The first of these—based on sampling—leads to a randomized algorithm whereupon the kernel induces a probability distribution on its set of partitions, whereas the latter approach—based on sorting—provides for the selection of a partition in a deterministic way. We detail their numerical implementation and provide simulation results for a variety of representative problems in statistical data analysis, each of which demonstrates the improved performance of our approach relative to existing methods. PMID:19129490

The gravitational potential of axially symmetric bodies from a regularized green kernel

NASA Astrophysics Data System (ADS)

Trova, A.; Huré, J.-M.; Hersant, F.

2011-12-01

The determination of the gravitational potential inside celestial bodies (rotating stars, discs, planets, asteroids) is a common challenge in numerical Astrophysics. Under axial symmetry, the potential is classically found from a two-dimensional integral over the body's meridional cross-section. Because it involves an improper integral, high accuracy is generally difficult to reach. We have discovered that, for homogeneous bodies, the singular Green kernel can be converted into a regular kernel by direct analytical integration. This new kernel, easily managed with standard techniques, opens interesting horizons, not only for numerical calculus but also to generate approximations, in particular for geometrically thin discs and rings.

Novel characterization method of impedance cardiography signals using time-frequency distributions.

PubMed

Escrivá Muñoz, Jesús; Pan, Y; Ge, S; Jensen, E W; Vallverdú, M

2018-03-16

The purpose of this document is to describe a methodology to select the most adequate time-frequency distribution (TFD) kernel for the characterization of impedance cardiography signals (ICG). The predominant ICG beat was extracted from a patient and was synthetized using time-frequency variant Fourier approximations. These synthetized signals were used to optimize several TFD kernels according to a performance maximization. The optimized kernels were tested for noise resistance on a clinical database. The resulting optimized TFD kernels are presented with their performance calculated using newly proposed methods. The procedure explained in this work showcases a new method to select an appropriate kernel for ICG signals and compares the performance of different time-frequency kernels found in the literature for the case of ICG signals. We conclude that, for ICG signals, the performance (P) of the spectrogram with either Hanning or Hamming windows (P = 0.780) and the extended modified beta distribution (P = 0.765) provided similar results, higher than the rest of analyzed kernels. Graphical abstract Flowchart for the optimization of time-frequency distribution kernels for impedance cardiography signals.

Development of low-frequency kernel-function aerodynamics for comparison with time-dependent finite-difference methods

NASA Technical Reports Server (NTRS)

Bland, S. R.

1982-01-01

Finite difference methods for unsteady transonic flow frequency use simplified equations in which certain of the time dependent terms are omitted from the governing equations. Kernel functions are derived for two dimensional subsonic flow, and provide accurate solutions of the linearized potential equation with the same time dependent terms omitted. These solutions make possible a direct evaluation of the finite difference codes for the linear problem. Calculations with two of these low frequency kernel functions verify the accuracy of the LTRAN2 and HYTRAN2 finite difference codes. Comparisons of the low frequency kernel function results with the Possio kernel function solution of the complete linear equations indicate the adequacy of the HYTRAN approximation for frequencies in the range of interest for flutter calculations.

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

Lei, Huan; Baker, Nathan A.; Li, Xiantao

We present a data-driven approach to determine the memory kernel and random noise of the generalized Langevin equation. To facilitate practical implementations, we parameterize the kernel function in the Laplace domain by a rational function, with coefficients directly linked to the equilibrium statistics of the coarse-grain variables. Further, we show that such an approximation can be constructed to arbitrarily high order. Within these approximations, the generalized Langevin dynamics can be embedded in an extended stochastic model without memory. We demonstrate how to introduce the stochastic noise so that the fluctuation-dissipation theorem is exactly satisfied.

Exact Doppler broadening of tabulated cross sections. [SIGMA 1 kernel broadening method

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

Cullen, D.E.; Weisbin, C.R.

1976-07-01

The SIGMA1 kernel broadening method is presented to Doppler broaden to any required accuracy a cross section that is described by a table of values and linear-linear interpolation in energy-cross section between tabulated values. The method is demonstrated to have no temperature or energy limitations and to be equally applicable to neutron or charged-particle cross sections. The method is qualitatively and quantitatively compared to contemporary approximate methods of Doppler broadening with particular emphasis on the effect of each approximation introduced.

Quantum entanglement in photoactive prebiotic systems.

PubMed

Tamulis, Arvydas; Grigalavicius, Mantas

2014-06-01

This paper contains the review of quantum entanglement investigations in living systems, and in the quantum mechanically modelled photoactive prebiotic kernel systems. We define our modelled self-assembled supramolecular photoactive centres, composed of one or more sensitizer molecules, precursors of fatty acids and a number of water molecules, as a photoactive prebiotic kernel systems. We propose that life first emerged in the form of such minimal photoactive prebiotic kernel systems and later in the process of evolution these photoactive prebiotic kernel systems would have produced fatty acids and covered themselves with fatty acid envelopes to become the minimal cells of the Fatty Acid World. Specifically, we model self-assembling of photoactive prebiotic systems with observed quantum entanglement phenomena. We address the idea that quantum entanglement was important in the first stages of origins of life and evolution of the biospheres because simultaneously excite two prebiotic kernels in the system by appearance of two additional quantum entangled excited states, leading to faster growth and self-replication of minimal living cells. The quantum mechanically modelled possibility of synthesizing artificial self-reproducing quantum entangled prebiotic kernel systems and minimal cells also impacts the possibility of the most probable path of emergence of protocells on the Earth or elsewhere. We also examine the quantum entangled logic gates discovered in the modelled systems composed of two prebiotic kernels. Such logic gates may have application in the destruction of cancer cells or becoming building blocks of new forms of artificial cells including magnetically active ones.

Evaluation of Statistical Downscaling Skill at Reproducing Extreme Events

NASA Astrophysics Data System (ADS)

McGinnis, S. A.; Tye, M. R.; Nychka, D. W.; Mearns, L. O.

2015-12-01

Climate model outputs usually have much coarser spatial resolution than is needed by impacts models. Although higher resolution can be achieved using regional climate models for dynamical downscaling, further downscaling is often required. The final resolution gap is often closed with a combination of spatial interpolation and bias correction, which constitutes a form of statistical downscaling. We use this technique to downscale regional climate model data and evaluate its skill in reproducing extreme events. We downscale output from the North American Regional Climate Change Assessment Program (NARCCAP) dataset from its native 50-km spatial resolution to the 4-km resolution of University of Idaho's METDATA gridded surface meterological dataset, which derives from the PRISM and NLDAS-2 observational datasets. We operate on the major variables used in impacts analysis at a daily timescale: daily minimum and maximum temperature, precipitation, humidity, pressure, solar radiation, and winds. To interpolate the data, we use the patch recovery method from the Earth System Modeling Framework (ESMF) regridding package. We then bias correct the data using Kernel Density Distribution Mapping (KDDM), which has been shown to exhibit superior overall performance across multiple metrics. Finally, we evaluate the skill of this technique in reproducing extreme events by comparing raw and downscaled output with meterological station data in different bioclimatic regions according to the the skill scores defined by Perkins et al in 2013 for evaluation of AR4 climate models. We also investigate techniques for improving bias correction of values in the tails of the distributions. These techniques include binned kernel density estimation, logspline kernel density estimation, and transfer functions constructed by fitting the tails with a generalized pareto distribution.

Online learning control using adaptive critic designs with sparse kernel machines.

PubMed

Xu, Xin; Hou, Zhongsheng; Lian, Chuanqiang; He, Haibo

2013-05-01

In the past decade, adaptive critic designs (ACDs), including heuristic dynamic programming (HDP), dual heuristic programming (DHP), and their action-dependent ones, have been widely studied to realize online learning control of dynamical systems. However, because neural networks with manually designed features are commonly used to deal with continuous state and action spaces, the generalization capability and learning efficiency of previous ACDs still need to be improved. In this paper, a novel framework of ACDs with sparse kernel machines is presented by integrating kernel methods into the critic of ACDs. To improve the generalization capability as well as the computational efficiency of kernel machines, a sparsification method based on the approximately linear dependence analysis is used. Using the sparse kernel machines, two kernel-based ACD algorithms, that is, kernel HDP (KHDP) and kernel DHP (KDHP), are proposed and their performance is analyzed both theoretically and empirically. Because of the representation learning and generalization capability of sparse kernel machines, KHDP and KDHP can obtain much better performance than previous HDP and DHP with manually designed neural networks. Simulation and experimental results of two nonlinear control problems, that is, a continuous-action inverted pendulum problem and a ball and plate control problem, demonstrate the effectiveness of the proposed kernel ACD methods.

Sliding Window Generalized Kernel Affine Projection Algorithm Using Projection Mappings

NASA Astrophysics Data System (ADS)

Slavakis, Konstantinos; Theodoridis, Sergios

2008-12-01

Very recently, a solution to the kernel-based online classification problem has been given by the adaptive projected subgradient method (APSM). The developed algorithm can be considered as a generalization of a kernel affine projection algorithm (APA) and the kernel normalized least mean squares (NLMS). Furthermore, sparsification of the resulting kernel series expansion was achieved by imposing a closed ball (convex set) constraint on the norm of the classifiers. This paper presents another sparsification method for the APSM approach to the online classification task by generating a sequence of linear subspaces in a reproducing kernel Hilbert space (RKHS). To cope with the inherent memory limitations of online systems and to embed tracking capabilities to the design, an upper bound on the dimension of the linear subspaces is imposed. The underlying principle of the design is the notion of projection mappings. Classification is performed by metric projection mappings, sparsification is achieved by orthogonal projections, while the online system's memory requirements and tracking are attained by oblique projections. The resulting sparsification scheme shows strong similarities with the classical sliding window adaptive schemes. The proposed design is validated by the adaptive equalization problem of a nonlinear communication channel, and is compared with classical and recent stochastic gradient descent techniques, as well as with the APSM's solution where sparsification is performed by a closed ball constraint on the norm of the classifiers.

Generalization of the subsonic kernel function in the s-plane, with applications to flutter analysis

NASA Technical Reports Server (NTRS)

Cunningham, H. J.; Desmarais, R. N.

1984-01-01

A generalized subsonic unsteady aerodynamic kernel function, valid for both growing and decaying oscillatory motions, is developed and applied in a modified flutter analysis computer program to solve the boundaries of constant damping ratio as well as the flutter boundary. Rates of change of damping ratios with respect to dynamic pressure near flutter are substantially lower from the generalized-kernel-function calculations than from the conventional velocity-damping (V-g) calculation. A rational function approximation for aerodynamic forces used in control theory for s-plane analysis gave rather good agreement with kernel-function results, except for strongly damped motion at combinations of high (subsonic) Mach number and reduced frequency.

A continued fraction resummation form of bath relaxation effect in the spin-boson model

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

Gong, Zhihao; Tang, Zhoufei; Wu, Jianlan, E-mail: jianlanwu@zju.edu.cn

2015-02-28

In the spin-boson model, a continued fraction form is proposed to systematically resum high-order quantum kinetic expansion (QKE) rate kernels, accounting for the bath relaxation effect beyond the second-order perturbation. In particular, the analytical expression of the sixth-order QKE rate kernel is derived for resummation. With higher-order correction terms systematically extracted from higher-order rate kernels, the resummed quantum kinetic expansion approach in the continued fraction form extends the Pade approximation and can fully recover the exact quantum dynamics as the expansion order increases.

Unified connected theory of few-body reaction mechanisms in N-body scattering theory

NASA Technical Reports Server (NTRS)

Polyzou, W. N.; Redish, E. F.

1978-01-01

A unified treatment of different reaction mechanisms in nonrelativistic N-body scattering is presented. The theory is based on connected kernel integral equations that are expected to become compact for reasonable constraints on the potentials. The operators T/sub +-//sup ab/(A) are approximate transition operators that describe the scattering proceeding through an arbitrary reaction mechanism A. These operators are uniquely determined by a connected kernel equation and satisfy an optical theorem consistent with the choice of reaction mechanism. Connected kernel equations relating T/sub +-//sup ab/(A) to the full T/sub +-//sup ab/ allow correction of the approximate solutions for any ignored process to any order. This theory gives a unified treatment of all few-body reaction mechanisms with the same dynamic simplicity of a model calculation, but can include complicated reaction mechanisms involving overlapping configurations where it is difficult to formulate models.

Data-driven parameterization of the generalized Langevin equation

DOE PAGES

Lei, Huan; Baker, Nathan A.; Li, Xiantao

2016-11-29

We present a data-driven approach to determine the memory kernel and random noise of the generalized Langevin equation. To facilitate practical implementations, we parameterize the kernel function in the Laplace domain by a rational function, with coefficients directly linked to the equilibrium statistics of the coarse-grain variables. Further, we show that such an approximation can be constructed to arbitrarily high order. Within these approximations, the generalized Langevin dynamics can be embedded in an extended stochastic model without memory. We demonstrate how to introduce the stochastic noise so that the fluctuation-dissipation theorem is exactly satisfied.

Approximate Dynamic Programming: Combining Regional and Local State Following Approximations.

PubMed

Deptula, Patryk; Rosenfeld, Joel A; Kamalapurkar, Rushikesh; Dixon, Warren E

2018-06-01

An infinite-horizon optimal regulation problem for a control-affine deterministic system is solved online using a local state following (StaF) kernel and a regional model-based reinforcement learning (R-MBRL) method to approximate the value function. Unlike traditional methods such as R-MBRL that aim to approximate the value function over a large compact set, the StaF kernel approach aims to approximate the value function in a local neighborhood of the state that travels within a compact set. In this paper, the value function is approximated using a state-dependent convex combination of the StaF-based and the R-MBRL-based approximations. As the state enters a neighborhood containing the origin, the value function transitions from being approximated by the StaF approach to the R-MBRL approach. Semiglobal uniformly ultimately bounded (SGUUB) convergence of the system states to the origin is established using a Lyapunov-based analysis. Simulation results are provided for two, three, six, and ten-state dynamical systems to demonstrate the scalability and performance of the developed method.

Learn the Lagrangian: A Vector-Valued RKHS Approach to Identifying Lagrangian Systems.

PubMed

Cheng, Ching-An; Huang, Han-Pang

2016-12-01

We study the modeling of Lagrangian systems with multiple degrees of freedom. Based on system dynamics, canonical parametric models require ad hoc derivations and sometimes simplification for a computable solution; on the other hand, due to the lack of prior knowledge in the system's structure, modern nonparametric models in machine learning face the curse of dimensionality, especially in learning large systems. In this paper, we bridge this gap by unifying the theories of Lagrangian systems and vector-valued reproducing kernel Hilbert space. We reformulate Lagrangian systems with kernels that embed the governing Euler-Lagrange equation-the Lagrangian kernels-and show that these kernels span a subspace capturing the Lagrangian's projection as inverse dynamics. By such property, our model uses only inputs and outputs as in machine learning and inherits the structured form as in system dynamics, thereby removing the need for the mundane derivations for new systems as well as the generalization problem in learning from scratches. In effect, it learns the system's Lagrangian, a simpler task than directly learning the dynamics. To demonstrate, we applied the proposed kernel to identify the robot inverse dynamics in simulations and experiments. Our results present a competitive novel approach to identifying Lagrangian systems, despite using only inputs and outputs.

The spatial sensitivity of Sp converted waves—scattered-wave kernels and their applications to receiver-function migration and inversion

NASA Astrophysics Data System (ADS)

Mancinelli, N. J.; Fischer, K. M.

2018-03-01

We characterize the spatial sensitivity of Sp converted waves to improve constraints on lateral variations in uppermost-mantle velocity gradients, such as the lithosphere-asthenosphere boundary (LAB) and the mid-lithospheric discontinuities. We use SPECFEM2D to generate 2-D scattering kernels that relate perturbations from an elastic half-space to Sp waveforms. We then show that these kernels can be well approximated using ray theory, and develop an approach to calculating kernels for layered background models. As proof of concept, we show that lateral variations in uppermost-mantle discontinuity structure are retrieved by implementing these scattering kernels in the first iteration of a conjugate-directions inversion algorithm. We evaluate the performance of this technique on synthetic seismograms computed for 2-D models with undulations on the LAB of varying amplitude, wavelength and depth. The technique reliably images the position of discontinuities with dips <35° and horizontal wavelengths >100-200 km. In cases of mild topography on a shallow LAB, the relative brightness of the LAB and Moho converters approximately agrees with the ratio of velocity contrasts across the discontinuities. Amplitude retrieval degrades at deeper depths. For dominant periods of 4 s, the minimum station spacing required to produce unaliased results is 5 km, but the application of a Gaussian filter can improve discontinuity imaging where station spacing is greater.

Increasing the Size of Microwave Popcorn

NASA Astrophysics Data System (ADS)

Smoyer, Justin

2005-03-01

Each year Americans consume approximately 17 billion quarts of popcorn. Since the 1940s, microwaves have been the heating source of choice for most. By treating the popcorn mechanism as a thermodynamic system, it has been shown mathematically and experimentally that reducing the surrounding pressure of the unpopped kernels, results in an increased volume of the kernels [Quinn et al, http://xxx.lanl.gov/abs/cond-mat/0409434 v1 2004]. In this project an alternate method of popping with the microwave was used to further test and confirm this hypothesis. Numerous experimental trials where run to test the validity of the theory. The results show that there is a significant increase in the average kernel size as well as a reduction in the number of unpopped kernels.

LZW-Kernel: fast kernel utilizing variable length code blocks from LZW compressors for protein sequence classification.

PubMed

Filatov, Gleb; Bauwens, Bruno; Kertész-Farkas, Attila

2018-05-07

Bioinformatics studies often rely on similarity measures between sequence pairs, which often pose a bottleneck in large-scale sequence analysis. Here, we present a new convolutional kernel function for protein sequences called the LZW-Kernel. It is based on code words identified with the Lempel-Ziv-Welch (LZW) universal text compressor. The LZW-Kernel is an alignment-free method, it is always symmetric, is positive, always provides 1.0 for self-similarity and it can directly be used with Support Vector Machines (SVMs) in classification problems, contrary to normalized compression distance (NCD), which often violates the distance metric properties in practice and requires further techniques to be used with SVMs. The LZW-Kernel is a one-pass algorithm, which makes it particularly plausible for big data applications. Our experimental studies on remote protein homology detection and protein classification tasks reveal that the LZW-Kernel closely approaches the performance of the Local Alignment Kernel (LAK) and the SVM-pairwise method combined with Smith-Waterman (SW) scoring at a fraction of the time. Moreover, the LZW-Kernel outperforms the SVM-pairwise method when combined with BLAST scores, which indicates that the LZW code words might be a better basis for similarity measures than local alignment approximations found with BLAST. In addition, the LZW-Kernel outperforms n-gram based mismatch kernels, hidden Markov model based SAM and Fisher kernel, and protein family based PSI-BLAST, among others. Further advantages include the LZW-Kernel's reliance on a simple idea, its ease of implementation, and its high speed, three times faster than BLAST and several magnitudes faster than SW or LAK in our tests. LZW-Kernel is implemented as a standalone C code and is a free open-source program distributed under GPLv3 license and can be downloaded from https://github.com/kfattila/LZW-Kernel. akerteszfarkas@hse.ru. Supplementary data are available at Bioinformatics Online.

A fast object-oriented Matlab implementation of the Reproducing Kernel Particle Method

NASA Astrophysics Data System (ADS)

Barbieri, Ettore; Meo, Michele

2012-05-01

Novel numerical methods, known as Meshless Methods or Meshfree Methods and, in a wider perspective, Partition of Unity Methods, promise to overcome most of disadvantages of the traditional finite element techniques. The absence of a mesh makes meshfree methods very attractive for those problems involving large deformations, moving boundaries and crack propagation. However, meshfree methods still have significant limitations that prevent their acceptance among researchers and engineers, namely the computational costs. This paper presents an in-depth analysis of computational techniques to speed-up the computation of the shape functions in the Reproducing Kernel Particle Method and Moving Least Squares, with particular focus on their bottlenecks, like the neighbour search, the inversion of the moment matrix and the assembly of the stiffness matrix. The paper presents numerous computational solutions aimed at a considerable reduction of the computational times: the use of kd-trees for the neighbour search, sparse indexing of the nodes-points connectivity and, most importantly, the explicit and vectorized inversion of the moment matrix without using loops and numerical routines.

An Evaluation of the Kernel Equating Method: A Special Study with Pseudotests Constructed from Real Test Data. Research Report. ETS RR-06-02

ERIC Educational Resources Information Center

von Davier, Alina A.; Holland, Paul W.; Livingston, Samuel A.; Casabianca, Jodi; Grant, Mary C.; Martin, Kathleen

2006-01-01

This study examines how closely the kernel equating (KE) method (von Davier, Holland, & Thayer, 2004a) approximates the results of other observed-score equating methods--equipercentile and linear equatings. The study used pseudotests constructed of item responses from a real test to simulate three equating designs: an equivalent groups (EG)…

Kernel-based least squares policy iteration for reinforcement learning.

PubMed

Xu, Xin; Hu, Dewen; Lu, Xicheng

2007-07-01

In this paper, we present a kernel-based least squares policy iteration (KLSPI) algorithm for reinforcement learning (RL) in large or continuous state spaces, which can be used to realize adaptive feedback control of uncertain dynamic systems. By using KLSPI, near-optimal control policies can be obtained without much a priori knowledge on dynamic models of control plants. In KLSPI, Mercer kernels are used in the policy evaluation of a policy iteration process, where a new kernel-based least squares temporal-difference algorithm called KLSTD-Q is proposed for efficient policy evaluation. To keep the sparsity and improve the generalization ability of KLSTD-Q solutions, a kernel sparsification procedure based on approximate linear dependency (ALD) is performed. Compared to the previous works on approximate RL methods, KLSPI makes two progresses to eliminate the main difficulties of existing results. One is the better convergence and (near) optimality guarantee by using the KLSTD-Q algorithm for policy evaluation with high precision. The other is the automatic feature selection using the ALD-based kernel sparsification. Therefore, the KLSPI algorithm provides a general RL method with generalization performance and convergence guarantee for large-scale Markov decision problems (MDPs). Experimental results on a typical RL task for a stochastic chain problem demonstrate that KLSPI can consistently achieve better learning efficiency and policy quality than the previous least squares policy iteration (LSPI) algorithm. Furthermore, the KLSPI method was also evaluated on two nonlinear feedback control problems, including a ship heading control problem and the swing up control of a double-link underactuated pendulum called acrobot. Simulation results illustrate that the proposed method can optimize controller performance using little a priori information of uncertain dynamic systems. It is also demonstrated that KLSPI can be applied to online learning control by incorporating an initial controller to ensure online performance.

Regional teleseismic body-wave tomography with component-differential finite-frequency sensitivity kernels

NASA Astrophysics Data System (ADS)

Yu, Y.; Shen, Y.; Chen, Y. J.

2015-12-01

By using ray theory in conjunction with the Born approximation, Dahlen et al. [2000] computed 3-D sensitivity kernels for finite-frequency seismic traveltimes. A series of studies have been conducted based on this theory to model the mantle velocity structure [e.g., Hung et al., 2004; Montelli et al., 2004; Ren and Shen, 2008; Yang et al., 2009; Liang et al., 2011; Tang et al., 2014]. One of the simplifications in the calculation of the kernels is the paraxial assumption, which may not be strictly valid near the receiver, the region of interest in regional teleseismic tomography. In this study, we improve the accuracy of traveltime sensitivity kernels of the first P arrival by eliminating the paraxial approximation. For calculation efficiency, the traveltime table built by the Fast Marching Method (FMM) is used to calculate both the wave vector and the geometrical spreading at every grid in the whole volume. The improved kernels maintain the sign, but with different amplitudes at different locations. We also find that when the directivity of the scattered wave is being taken into consideration, the differential sensitivity kernel of traveltimes measured at the vertical and radial component of the same receiver concentrates beneath the receiver, which can be used to invert for the structure inside the Earth. Compared with conventional teleseismic tomography, which uses the differential traveltimes between two stations in an array, this method is not affected by instrument response and timing errors, and reduces the uncertainty caused by the finite dimension of the model in regional tomography. In addition, the cross-dependence of P traveltimes to S-wave velocity anomaly is significant and sensitive to the structure beneath the receiver. So with the component-differential finite-frequency sensitivity kernel, the anomaly of both P-wave and S-wave velocity and Vp/Vs ratio can be achieved at the same time.

Wilson loops and QCD/string scattering amplitudes

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

Makeenko, Yuri; Olesen, Poul; Niels Bohr International Academy, Niels Bohr Institute, Blegdamsvej 17, 2100 Copenhagen O

2009-07-15

We generalize modern ideas about the duality between Wilson loops and scattering amplitudes in N=4 super Yang-Mills theory to large N QCD by deriving a general relation between QCD meson scattering amplitudes and Wilson loops. We then investigate properties of the open-string disk amplitude integrated over reparametrizations. When the Wilson-loop is approximated by the area behavior, we find that the QCD scattering amplitude is a convolution of the standard Koba-Nielsen integrand and a kernel. As usual poles originate from the first factor, whereas no (momentum-dependent) poles can arise from the kernel. We show that the kernel becomes a constant whenmore » the number of external particles becomes large. The usual Veneziano amplitude then emerges in the kinematical regime, where the Wilson loop can be reliably approximated by the area behavior. In this case, we obtain a direct duality between Wilson loops and scattering amplitudes when spatial variables and momenta are interchanged, in analogy with the N=4 super Yang-Mills theory case.« less

Reactive collisions for NO(2Π) + N(4S) at temperatures relevant to the hypersonic flight regime.

PubMed

Denis-Alpizar, Otoniel; Bemish, Raymond J; Meuwly, Markus

2017-01-18

The NO(X 2 Π) + N( 4 S) reaction which occurs entirely in the triplet manifold of N 2 O is investigated using quasiclassical trajectories and quantum simulations. Fully-dimensional potential energy surfaces for the 3 A' and 3 A'' states are computed at the MRCI+Q level of theory and are represented using a reproducing kernel Hilbert space. The N-exchange and N 2 -formation channels are followed by using the multi-state adiabatic reactive molecular dynamics method. Up to 5000 K these reactions occur predominantly on the N 2 O 3 A'' surface. However, for higher temperatures the contributions of the 3 A' and 3 A'' states are comparable and the final state distributions are far from thermal equilibrium. From the trajectory simulations a new set of thermal rate coefficients of up to 20 000 K is determined. Comparison of the quasiclassical trajectory and quantum simulations shows that a classical description is a good approximation as determined from the final state analysis.

A method for computing the kernel of the downwash integral equation for arbitrary complex frequencies

NASA Technical Reports Server (NTRS)

Desmarais, R. N.; Rowe, W. S.

1984-01-01

For the design of active controls to stabilize flight vehicles, which requires the use of unsteady aerodynamics that are valid for arbitrary complex frequencies, algorithms are derived for evaluating the nonelementary part of the kernel of the integral equation that relates unsteady pressure to downwash. This part of the kernel is separated into an infinite limit integral that is evaluated using Bessel and Struve functions and into a finite limit integral that is expanded in series and integrated termwise in closed form. The developed series expansions gave reliable answers for all complex reduced frequencies and executed faster than exponential approximations for many pressure stations.

Image registration using stationary velocity fields parameterized by norm-minimizing Wendland kernel

NASA Astrophysics Data System (ADS)

Pai, Akshay; Sommer, Stefan; Sørensen, Lauge; Darkner, Sune; Sporring, Jon; Nielsen, Mads

2015-03-01

Interpolating kernels are crucial to solving a stationary velocity field (SVF) based image registration problem. This is because, velocity fields need to be computed in non-integer locations during integration. The regularity in the solution to the SVF registration problem is controlled by the regularization term. In a variational formulation, this term is traditionally expressed as a squared norm which is a scalar inner product of the interpolating kernels parameterizing the velocity fields. The minimization of this term using the standard spline interpolation kernels (linear or cubic) is only approximative because of the lack of a compatible norm. In this paper, we propose to replace such interpolants with a norm-minimizing interpolant - the Wendland kernel which has the same computational simplicity like B-Splines. An application on the Alzheimer's disease neuroimaging initiative showed that Wendland SVF based measures separate (Alzheimer's disease v/s normal controls) better than both B-Spline SVFs (p<0.05 in amygdala) and B-Spline freeform deformation (p<0.05 in amygdala and cortical gray matter).

Kernel Temporal Differences for Neural Decoding

PubMed Central

Bae, Jihye; Sanchez Giraldo, Luis G.; Pohlmeyer, Eric A.; Francis, Joseph T.; Sanchez, Justin C.; Príncipe, José C.

2015-01-01

We study the feasibility and capability of the kernel temporal difference (KTD)(λ) algorithm for neural decoding. KTD(λ) is an online, kernel-based learning algorithm, which has been introduced to estimate value functions in reinforcement learning. This algorithm combines kernel-based representations with the temporal difference approach to learning. One of our key observations is that by using strictly positive definite kernels, algorithm's convergence can be guaranteed for policy evaluation. The algorithm's nonlinear functional approximation capabilities are shown in both simulations of policy evaluation and neural decoding problems (policy improvement). KTD can handle high-dimensional neural states containing spatial-temporal information at a reasonable computational complexity allowing real-time applications. When the algorithm seeks a proper mapping between a monkey's neural states and desired positions of a computer cursor or a robot arm, in both open-loop and closed-loop experiments, it can effectively learn the neural state to action mapping. Finally, a visualization of the coadaptation process between the decoder and the subject shows the algorithm's capabilities in reinforcement learning brain machine interfaces. PMID:25866504

Efficient Multiple Kernel Learning Algorithms Using Low-Rank Representation.

PubMed

Niu, Wenjia; Xia, Kewen; Zu, Baokai; Bai, Jianchuan

2017-01-01

Unlike Support Vector Machine (SVM), Multiple Kernel Learning (MKL) allows datasets to be free to choose the useful kernels based on their distribution characteristics rather than a precise one. It has been shown in the literature that MKL holds superior recognition accuracy compared with SVM, however, at the expense of time consuming computations. This creates analytical and computational difficulties in solving MKL algorithms. To overcome this issue, we first develop a novel kernel approximation approach for MKL and then propose an efficient Low-Rank MKL (LR-MKL) algorithm by using the Low-Rank Representation (LRR). It is well-acknowledged that LRR can reduce dimension while retaining the data features under a global low-rank constraint. Furthermore, we redesign the binary-class MKL as the multiclass MKL based on pairwise strategy. Finally, the recognition effect and efficiency of LR-MKL are verified on the datasets Yale, ORL, LSVT, and Digit. Experimental results show that the proposed LR-MKL algorithm is an efficient kernel weights allocation method in MKL and boosts the performance of MKL largely.

Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General Applicability

NASA Astrophysics Data System (ADS)

Erhard, Jannis; Bleiziffer, Patrick; Görling, Andreas

2016-09-01

A power series approximation for the correlation kernel of time-dependent density-functional theory is presented. Using this approximation in the adiabatic-connection fluctuation-dissipation (ACFD) theorem leads to a new family of Kohn-Sham methods. The new methods yield reaction energies and barriers of unprecedented accuracy and enable a treatment of static (strong) correlation with an accuracy of high-level multireference configuration interaction methods but are single-reference methods allowing for a black-box-like handling of static correlation. The new methods exhibit a better scaling of the computational effort with the system size than rivaling wave-function-based electronic structure methods. Moreover, the new methods do not suffer from the problem of singularities in response functions plaguing previous ACFD methods and therefore are applicable to any type of electronic system.

Approximation of the breast height diameter distribution of two-cohort stands by mixture models III Kernel density estimators vs mixture models

Treesearch

Rafal Podlaski; Francis A. Roesch

2014-01-01

Two-component mixtures of either the Weibull distribution or the gamma distribution and the kernel density estimator were used for describing the diameter at breast height (dbh) empirical distributions of two-cohort stands. The data consisted of study plots from the Å wietokrzyski National Park (central Poland) and areas close to and including the North Carolina section...

New numerical approximation of fractional derivative with non-local and non-singular kernel: Application to chaotic models

NASA Astrophysics Data System (ADS)

Toufik, Mekkaoui; Atangana, Abdon

2017-10-01

Recently a new concept of fractional differentiation with non-local and non-singular kernel was introduced in order to extend the limitations of the conventional Riemann-Liouville and Caputo fractional derivatives. A new numerical scheme has been developed, in this paper, for the newly established fractional differentiation. We present in general the error analysis. The new numerical scheme was applied to solve linear and non-linear fractional differential equations. We do not need a predictor-corrector to have an efficient algorithm, in this method. The comparison of approximate and exact solutions leaves no doubt believing that, the new numerical scheme is very efficient and converges toward exact solution very rapidly.

A new discrete dipole kernel for quantitative susceptibility mapping.

PubMed

Milovic, Carlos; Acosta-Cabronero, Julio; Pinto, José Miguel; Mattern, Hendrik; Andia, Marcelo; Uribe, Sergio; Tejos, Cristian

2018-09-01

Most approaches for quantitative susceptibility mapping (QSM) are based on a forward model approximation that employs a continuous Fourier transform operator to solve a differential equation system. Such formulation, however, is prone to high-frequency aliasing. The aim of this study was to reduce such errors using an alternative dipole kernel formulation based on the discrete Fourier transform and discrete operators. The impact of such an approach on forward model calculation and susceptibility inversion was evaluated in contrast to the continuous formulation both with synthetic phantoms and in vivo MRI data. The discrete kernel demonstrated systematically better fits to analytic field solutions, and showed less over-oscillations and aliasing artifacts while preserving low- and medium-frequency responses relative to those obtained with the continuous kernel. In the context of QSM estimation, the use of the proposed discrete kernel resulted in error reduction and increased sharpness. This proof-of-concept study demonstrated that discretizing the dipole kernel is advantageous for QSM. The impact on small or narrow structures such as the venous vasculature might by particularly relevant to high-resolution QSM applications with ultra-high field MRI - a topic for future investigations. The proposed dipole kernel has a straightforward implementation to existing QSM routines. Copyright © 2018 Elsevier Inc. All rights reserved.

An analytical dose-averaged LET calculation algorithm considering the off-axis LET enhancement by secondary protons for spot-scanning proton therapy.

PubMed

Hirayama, Shusuke; Matsuura, Taeko; Ueda, Hideaki; Fujii, Yusuke; Fujii, Takaaki; Takao, Seishin; Miyamoto, Naoki; Shimizu, Shinichi; Fujimoto, Rintaro; Umegaki, Kikuo; Shirato, Hiroki

2018-05-22

To evaluate the biological effects of proton beams as part of daily clinical routine, fast and accurate calculation of dose-averaged linear energy transfer (LET d ) is required. In this study, we have developed the analytical LET d calculation method based on the pencil-beam algorithm (PBA) considering the off-axis enhancement by secondary protons. This algorithm (PBA-dLET) was then validated using Monte Carlo simulation (MCS) results. In PBA-dLET, LET values were assigned separately for each individual dose kernel based on the PBA. For the dose kernel, we employed a triple Gaussian model which consists of the primary component (protons that undergo the multiple Coulomb scattering) and the halo component (protons that undergo inelastic, nonelastic and elastic nuclear reaction); the primary and halo components were represented by a single Gaussian and the sum of two Gaussian distributions, respectively. Although the previous analytical approaches assumed a constant LET d value for the lateral distribution of a pencil beam, the actual LET d increases away from the beam axis, because there are more scattered and therefore lower energy protons with higher stopping powers. To reflect this LET d behavior, we have assumed that the LETs of primary and halo components can take different values (LET p and LET halo ), which vary only along the depth direction. The values of dual-LET kernels were determined such that the PBA-dLET reproduced the MCS-generated LET d distribution in both small and large fields. These values were generated at intervals of 1 mm in depth for 96 energies from 70.2 to 220 MeV and collected in the look-up table. Finally, we compared the LET d distributions and mean LET d (LET d,mean ) values of targets and organs at risk between PBA-dLET and MCS. Both homogeneous phantom and patient geometries (prostate, liver, and lung cases) were used to validate the present method. In the homogeneous phantom, the LET d profiles obtained by the dual-LET kernels agree well with the MCS results except for the low-dose region in the lateral penumbra, where the actual dose was below 10% of the maximum dose. In the patient geometry, the LET d profiles calculated with the developed method reproduces MCS with the similar accuracy as in the homogeneous phantom. The maximum differences in LET d,mean for each structure between the PBA-dLET and the MCS were 0.06 keV/μm in homogeneous phantoms and 0.08 keV/μm in patient geometries under all tested conditions, respectively. We confirmed that the dual-LET-kernel model well reproduced the MCS, not only in the homogeneous phantom but also in complex patient geometries. The accuracy of the LET d was largely improved from the single-LET-kernel model, especially at the lateral penumbra. The model is expected to be useful, especially for proper recognition of the risk of side effects when the target is next to critical organs. © 2018 American Association of Physicists in Medicine.

Insights into the spurious long-range nature of local rs-dependent non-local exchange-correlation kernels

DOE PAGES

Lu, Deyu

2016-08-05

A systematic route to go beyond the exact exchange plus random phase approximation (RPA) is to include a physical exchange-correlation kernel in the adiabatic-connection fluctuation-dissipation theorem. Previously, [D. Lu, J. Chem. Phys. 140, 18A520 (2014)], we found that non-local kernels with a screening length depending on the local Wigner-Seitz radius, r s(r), suffer an error associated with a spurious long-range repulsion in van der Waals bounded systems, which deteriorates the binding energy curve as compared to RPA. Here, we analyze the source of the error and propose to replace r s(r) by a global, average r s in the kernel.more » Exemplary studies with the Corradini, del Sole, Onida, and Palummo kernel show that while this change does not affect the already outstanding performance in crystalline solids, using an average r s significantly reduces the spurious long-range tail in the exchange-correlation kernel in van der Waals bounded systems. Finally, when this method is combined with further corrections using local dielectric response theory, the binding energy of the Kr dimer is improved three times as compared to RPA.« less

Efficient approach to obtain free energy gradient using QM/MM MD simulation

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

Asada, Toshio; Koseki, Shiro; The Research Institute for Molecular Electronic Devices

2015-12-31

The efficient computational approach denoted as charge and atom dipole response kernel (CDRK) model to consider polarization effects of the quantum mechanical (QM) region is described using the charge response and the atom dipole response kernels for free energy gradient (FEG) calculations in the quantum mechanical/molecular mechanical (QM/MM) method. CDRK model can reasonably reproduce energies and also energy gradients of QM and MM atoms obtained by expensive QM/MM calculations in a drastically reduced computational time. This model is applied on the acylation reaction in hydrated trypsin-BPTI complex to optimize the reaction path on the free energy surface by means ofmore » FEG and the nudged elastic band (NEB) method.« less

Exploiting graph kernels for high performance biomedical relation extraction.

PubMed

Panyam, Nagesh C; Verspoor, Karin; Cohn, Trevor; Ramamohanarao, Kotagiri

2018-01-30

Relation extraction from biomedical publications is an important task in the area of semantic mining of text. Kernel methods for supervised relation extraction are often preferred over manual feature engineering methods, when classifying highly ordered structures such as trees and graphs obtained from syntactic parsing of a sentence. Tree kernels such as the Subset Tree Kernel and Partial Tree Kernel have been shown to be effective for classifying constituency parse trees and basic dependency parse graphs of a sentence. Graph kernels such as the All Path Graph kernel (APG) and Approximate Subgraph Matching (ASM) kernel have been shown to be suitable for classifying general graphs with cycles, such as the enhanced dependency parse graph of a sentence. In this work, we present a high performance Chemical-Induced Disease (CID) relation extraction system. We present a comparative study of kernel methods for the CID task and also extend our study to the Protein-Protein Interaction (PPI) extraction task, an important biomedical relation extraction task. We discuss novel modifications to the ASM kernel to boost its performance and a method to apply graph kernels for extracting relations expressed in multiple sentences. Our system for CID relation extraction attains an F-score of 60%, without using external knowledge sources or task specific heuristic or rules. In comparison, the state of the art Chemical-Disease Relation Extraction system achieves an F-score of 56% using an ensemble of multiple machine learning methods, which is then boosted to 61% with a rule based system employing task specific post processing rules. For the CID task, graph kernels outperform tree kernels substantially, and the best performance is obtained with APG kernel that attains an F-score of 60%, followed by the ASM kernel at 57%. The performance difference between the ASM and APG kernels for CID sentence level relation extraction is not significant. In our evaluation of ASM for the PPI task, ASM performed better than APG kernel for the BioInfer dataset, in the Area Under Curve (AUC) measure (74% vs 69%). However, for all the other PPI datasets, namely AIMed, HPRD50, IEPA and LLL, ASM is substantially outperformed by the APG kernel in F-score and AUC measures. We demonstrate a high performance Chemical Induced Disease relation extraction, without employing external knowledge sources or task specific heuristics. Our work shows that graph kernels are effective in extracting relations that are expressed in multiple sentences. We also show that the graph kernels, namely the ASM and APG kernels, substantially outperform the tree kernels. Among the graph kernels, we showed the ASM kernel as effective for biomedical relation extraction, with comparable performance to the APG kernel for datasets such as the CID-sentence level relation extraction and BioInfer in PPI. Overall, the APG kernel is shown to be significantly more accurate than the ASM kernel, achieving better performance on most datasets.

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

Jin, Zheming; Yoshii, Kazutomo; Finkel, Hal

Open Computing Language (OpenCL) is a high-level language that enables software programmers to explore Field Programmable Gate Arrays (FPGAs) for application acceleration. The Intel FPGA software development kit (SDK) for OpenCL allows a user to specify applications at a high level and explore the performance of low-level hardware acceleration. In this report, we present the FPGA performance and power consumption results of the single-precision floating-point vector add OpenCL kernel using the Intel FPGA SDK for OpenCL on the Nallatech 385A FPGA board. The board features an Arria 10 FPGA. We evaluate the FPGA implementations using the compute unit duplication andmore » kernel vectorization optimization techniques. On the Nallatech 385A FPGA board, the maximum compute kernel bandwidth we achieve is 25.8 GB/s, approximately 76% of the peak memory bandwidth. The power consumption of the FPGA device when running the kernels ranges from 29W to 42W.« less

Dynamic experiment design regularization approach to adaptive imaging with array radar/SAR sensor systems.

PubMed

Shkvarko, Yuriy; Tuxpan, José; Santos, Stewart

2011-01-01

We consider a problem of high-resolution array radar/SAR imaging formalized in terms of a nonlinear ill-posed inverse problem of nonparametric estimation of the power spatial spectrum pattern (SSP) of the random wavefield scattered from a remotely sensed scene observed through a kernel signal formation operator and contaminated with random Gaussian noise. First, the Sobolev-type solution space is constructed to specify the class of consistent kernel SSP estimators with the reproducing kernel structures adapted to the metrics in such the solution space. Next, the "model-free" variational analysis (VA)-based image enhancement approach and the "model-based" descriptive experiment design (DEED) regularization paradigm are unified into a new dynamic experiment design (DYED) regularization framework. Application of the proposed DYED framework to the adaptive array radar/SAR imaging problem leads to a class of two-level (DEED-VA) regularized SSP reconstruction techniques that aggregate the kernel adaptive anisotropic windowing with the projections onto convex sets to enforce the consistency and robustness of the overall iterative SSP estimators. We also show how the proposed DYED regularization method may be considered as a generalization of the MVDR, APES and other high-resolution nonparametric adaptive radar sensing techniques. A family of the DYED-related algorithms is constructed and their effectiveness is finally illustrated via numerical simulations.

Mapping and validation of major quantitative trait loci for kernel length in wild barley (Hordeum vulgare ssp. spontaneum).

PubMed

Zhou, Hong; Liu, Shihang; Liu, Yujiao; Liu, Yaxi; You, Jing; Deng, Mei; Ma, Jian; Chen, Guangdeng; Wei, Yuming; Liu, Chunji; Zheng, Youliang

2016-09-13

Kernel length is an important target trait in barley (Hordeum vulgare L.) breeding programs. However, the number of known quantitative trait loci (QTLs) controlling kernel length is limited. In the present study, we aimed to identify major QTLs for kernel length, as well as putative candidate genes that might influence kernel length in wild barley. A recombinant inbred line (RIL) population derived from the barley cultivar Baudin (H. vulgare ssp. vulgare) and the long-kernel wild barley genotype Awcs276 (H.vulgare ssp. spontaneum) was evaluated at one location over three years. A high-density genetic linkage map was constructed using 1,832 genome-wide diversity array technology (DArT) markers, spanning a total of 927.07 cM with an average interval of approximately 0.49 cM. Two major QTLs for kernel length, LEN-3H and LEN-4H, were detected across environments and further validated in a second RIL population derived from Fleet (H. vulgare ssp. vulgare) and Awcs276. In addition, a systematic search of public databases identified four candidate genes and four categories of proteins related to LEN-3H and LEN-4H. This study establishes a fundamental research platform for genomic studies and marker-assisted selection, since LEN-3H and LEN-4H could be used for accelerating progress in barley breeding programs that aim to improve kernel length.

Two-stage autoignition and edge flames in a high pressure turbulent jet

DOE PAGES

Krisman, Alex; Hawkes, Evatt R.; Chen, Jacqueline H.

2017-07-04

A three-dimensional direct numerical simulation is conducted for a temporally evolving planar jet of n-heptane at a pressure of 40 atmospheres and in a coflow of air at 1100 K. At these conditions, n-heptane exhibits a two-stage ignition due to low- and high-temperature chemistry, which is reproduced by the global chemical model used in this study. The results show that ignition occurs in several overlapping stages and multiple modes of combustion are present. Low-temperature chemistry precedes the formation of multiple spatially localised high-temperature chemistry autoignition events, referred to as ‘kernels’. These kernels form within the shear layer and core ofmore » the jet at compositions with short homogeneous ignition delay times and in locations experiencing low scalar dissipation rates. An analysis of the kernel histories shows that the ignition delay time is correlated with the mixing rate history and that the ignition kernels tend to form in vortically dominated regions of the domain, as corroborated by an analysis of the topology of the velocity gradient tensor. Once ignited, the kernels grow rapidly and establish edge flames where they envelop the stoichiometric isosurface. A combination of kernel formation (autoignition) and the growth of existing burning surface (via edge-flame propagation) contributes to the overall ignition process. In conclusion, an analysis of propagation speeds evaluated on the burning surface suggests that although the edge-flame speed is promoted by the autoignitive conditions due to an increase in the local laminar flame speed, edge-flame propagation of existing burning surfaces (triggered initially by isolated autoignition kernels) is the dominant ignition mode in the present configuration.« less

Convergence behavior of the random phase approximation renormalized correlation energy

NASA Astrophysics Data System (ADS)

Bates, Jefferson E.; Sensenig, Jonathon; Ruzsinszky, Adrienn

2017-05-01

Based on the random phase approximation (RPA), RPA renormalization [J. E. Bates and F. Furche, J. Chem. Phys. 139, 171103 (2013), 10.1063/1.4827254] is a robust many-body perturbation theory that works for molecules and materials because it does not diverge as the Kohn-Sham gap approaches zero. Additionally, RPA renormalization enables the simultaneous calculation of RPA and beyond-RPA correlation energies since the total correlation energy is the sum of a series of independent contributions. The first-order approximation (RPAr1) yields the dominant beyond-RPA contribution to the correlation energy for a given exchange-correlation kernel, but systematically underestimates the total beyond-RPA correction. For both the homogeneous electron gas model and real systems, we demonstrate numerically that RPA renormalization beyond first order converges monotonically to the infinite-order beyond-RPA correlation energy for several model exchange-correlation kernels and that the rate of convergence is principally determined by the choice of the kernel and spin polarization of the ground state. The monotonic convergence is rationalized from an analysis of the RPA renormalized correlation energy corrections, assuming the exchange-correlation kernel and response functions satisfy some reasonable conditions. For spin-unpolarized atoms, molecules, and bulk solids, we find that RPA renormalization is typically converged to 1 meV error or less by fourth order regardless of the band gap or dimensionality. Most spin-polarized systems converge at a slightly slower rate, with errors on the order of 10 meV at fourth order and typically requiring up to sixth order to reach 1 meV error or less. Slowest to converge, however, open-shell atoms present the most challenging case and require many higher orders to converge.

Nonlocal kinetic energy functionals by functional integration.

PubMed

Mi, Wenhui; Genova, Alessandro; Pavanello, Michele

2018-05-14

Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, T s [ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δT s [ρ]δρ(r), yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for T s [ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.

Nonlocal kinetic energy functionals by functional integration

NASA Astrophysics Data System (ADS)

Mi, Wenhui; Genova, Alessandro; Pavanello, Michele

2018-05-01

Since the seminal studies of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting kinetic energy, Ts[ρ], the subject of this work. The typical paradigm is to first approximate the energy functional and then take its functional derivative, δ/Ts[ρ ] δ ρ (r ) , yielding a potential that can be used in orbital-free DFT or subsystem DFT simulations. Here, this paradigm is challenged by constructing the potential from the second-functional derivative via functional integration. A new nonlocal functional for Ts[ρ] is prescribed [which we dub Mi-Genova-Pavanello (MGP)] having a density independent kernel. MGP is constructed to satisfy three exact conditions: (1) a nonzero "Kinetic electron" arising from a nonzero exchange hole; (2) the second functional derivative must reduce to the inverse Lindhard function in the limit of homogenous densities; (3) the potential is derived from functional integration of the second functional derivative. Pilot calculations show that MGP is capable of reproducing accurate equilibrium volumes, bulk moduli, total energy, and electron densities for metallic (body-centered cubic, face-centered cubic) and semiconducting (crystal diamond) phases of silicon as well as of III-V semiconductors. The MGP functional is found to be numerically stable typically reaching self-consistency within 12 iterations of a truncated Newton minimization algorithm. MGP's computational cost and memory requirements are low and comparable to the Wang-Teter nonlocal functional or any generalized gradient approximation functional.

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

Lu, Deyu

A systematic route to go beyond the exact exchange plus random phase approximation (RPA) is to include a physical exchange-correlation kernel in the adiabatic-connection fluctuation-dissipation theorem. Previously, [D. Lu, J. Chem. Phys. 140, 18A520 (2014)], we found that non-local kernels with a screening length depending on the local Wigner-Seitz radius, r s(r), suffer an error associated with a spurious long-range repulsion in van der Waals bounded systems, which deteriorates the binding energy curve as compared to RPA. Here, we analyze the source of the error and propose to replace r s(r) by a global, average r s in the kernel.more » Exemplary studies with the Corradini, del Sole, Onida, and Palummo kernel show that while this change does not affect the already outstanding performance in crystalline solids, using an average r s significantly reduces the spurious long-range tail in the exchange-correlation kernel in van der Waals bounded systems. Finally, when this method is combined with further corrections using local dielectric response theory, the binding energy of the Kr dimer is improved three times as compared to RPA.« less

Higher-order kinetic expansion of quantum dissipative dynamics: mapping quantum networks to kinetic networks.

PubMed

Wu, Jianlan; Cao, Jianshu

2013-07-28

We apply a new formalism to derive the higher-order quantum kinetic expansion (QKE) for studying dissipative dynamics in a general quantum network coupled with an arbitrary thermal bath. The dynamics of system population is described by a time-convoluted kinetic equation, where the time-nonlocal rate kernel is systematically expanded of the order of off-diagonal elements of the system Hamiltonian. In the second order, the rate kernel recovers the expression of the noninteracting-blip approximation method. The higher-order corrections in the rate kernel account for the effects of the multi-site quantum coherence and the bath relaxation. In a quantum harmonic bath, the rate kernels of different orders are analytically derived. As demonstrated by four examples, the higher-order QKE can reliably predict quantum dissipative dynamics, comparing well with the hierarchic equation approach. More importantly, the higher-order rate kernels can distinguish and quantify distinct nontrivial quantum coherent effects, such as long-range energy transfer from quantum tunneling and quantum interference arising from the phase accumulation of interactions.

Intelligent Control of a Sensor-Actuator System via Kernelized Least-Squares Policy Iteration

PubMed Central

Liu, Bo; Chen, Sanfeng; Li, Shuai; Liang, Yongsheng

2012-01-01

In this paper a new framework, called Compressive Kernelized Reinforcement Learning (CKRL), for computing near-optimal policies in sequential decision making with uncertainty is proposed via incorporating the non-adaptive data-independent Random Projections and nonparametric Kernelized Least-squares Policy Iteration (KLSPI). Random Projections are a fast, non-adaptive dimensionality reduction framework in which high-dimensionality data is projected onto a random lower-dimension subspace via spherically random rotation and coordination sampling. KLSPI introduce kernel trick into the LSPI framework for Reinforcement Learning, often achieving faster convergence and providing automatic feature selection via various kernel sparsification approaches. In this approach, policies are computed in a low-dimensional subspace generated by projecting the high-dimensional features onto a set of random basis. We first show how Random Projections constitute an efficient sparsification technique and how our method often converges faster than regular LSPI, while at lower computational costs. Theoretical foundation underlying this approach is a fast approximation of Singular Value Decomposition (SVD). Finally, simulation results are exhibited on benchmark MDP domains, which confirm gains both in computation time and in performance in large feature spaces. PMID:22736969

P- and S-wave Receiver Function Imaging with Scattering Kernels

NASA Astrophysics Data System (ADS)

Hansen, S. M.; Schmandt, B.

2017-12-01

Full waveform inversion provides a flexible approach to the seismic parameter estimation problem and can account for the full physics of wave propagation using numeric simulations. However, this approach requires significant computational resources due to the demanding nature of solving the forward and adjoint problems. This issue is particularly acute for temporary passive-source seismic experiments (e.g. PASSCAL) that have traditionally relied on teleseismic earthquakes as sources resulting in a global scale forward problem. Various approximation strategies have been proposed to reduce the computational burden such as hybrid methods that embed a heterogeneous regional scale model in a 1D global model. In this study, we focus specifically on the problem of scattered wave imaging (migration) using both P- and S-wave receiver function data. The proposed method relies on body-wave scattering kernels that are derived from the adjoint data sensitivity kernels which are typically used for full waveform inversion. The forward problem is approximated using ray theory yielding a computationally efficient imaging algorithm that can resolve dipping and discontinuous velocity interfaces in 3D. From the imaging perspective, this approach is closely related to elastic reverse time migration. An energy stable finite-difference method is used to simulate elastic wave propagation in a 2D hypothetical subduction zone model. The resulting synthetic P- and S-wave receiver function datasets are used to validate the imaging method. The kernel images are compared with those generated by the Generalized Radon Transform (GRT) and Common Conversion Point stacking (CCP) methods. These results demonstrate the potential of the kernel imaging approach to constrain lithospheric structure in complex geologic environments with sufficiently dense recordings of teleseismic data. This is demonstrated using a receiver function dataset from the Central California Seismic Experiment which shows several dipping interfaces related to the tectonic assembly of this region. Figure 1. Scattering kernel examples for three receiver function phases. A) direct P-to-s (Ps), B) direct S-to-p and C) free-surface PP-to-s (PPs).

Travel-time sensitivity kernels in long-range propagation.

PubMed

Skarsoulis, E K; Cornuelle, B D; Dzieciuch, M A

2009-11-01

Wave-theoretic travel-time sensitivity kernels (TSKs) are calculated in two-dimensional (2D) and three-dimensional (3D) environments and their behavior with increasing propagation range is studied and compared to that of ray-theoretic TSKs and corresponding Fresnel-volumes. The differences between the 2D and 3D TSKs average out when horizontal or cross-range marginals are considered, which indicates that they are not important in the case of range-independent sound-speed perturbations or perturbations of large scale compared to the lateral TSK extent. With increasing range, the wave-theoretic TSKs expand in the horizontal cross-range direction, their cross-range extent being comparable to that of the corresponding free-space Fresnel zone, whereas they remain bounded in the vertical. Vertical travel-time sensitivity kernels (VTSKs)-one-dimensional kernels describing the effect of horizontally uniform sound-speed changes on travel-times-are calculated analytically using a perturbation approach, and also numerically, as horizontal marginals of the corresponding TSKs. Good agreement between analytical and numerical VTSKs, as well as between 2D and 3D VTSKs, is found. As an alternative method to obtain wave-theoretic sensitivity kernels, the parabolic approximation is used; the resulting TSKs and VTSKs are in good agreement with normal-mode results. With increasing range, the wave-theoretic VTSKs approach the corresponding ray-theoretic sensitivity kernels.

Depth-time interpolation of feature trends extracted from mobile microelectrode data with kernel functions.

PubMed

Wong, Stephen; Hargreaves, Eric L; Baltuch, Gordon H; Jaggi, Jurg L; Danish, Shabbar F

2012-01-01

Microelectrode recording (MER) is necessary for precision localization of target structures such as the subthalamic nucleus during deep brain stimulation (DBS) surgery. Attempts to automate this process have produced quantitative temporal trends (feature activity vs. time) extracted from mobile MER data. Our goal was to evaluate computational methods of generating spatial profiles (feature activity vs. depth) from temporal trends that would decouple automated MER localization from the clinical procedure and enhance functional localization in DBS surgery. We evaluated two methods of interpolation (standard vs. kernel) that generated spatial profiles from temporal trends. We compared interpolated spatial profiles to true spatial profiles that were calculated with depth windows, using correlation coefficient analysis. Excellent approximation of true spatial profiles is achieved by interpolation. Kernel-interpolated spatial profiles produced superior correlation coefficient values at optimal kernel widths (r = 0.932-0.940) compared to standard interpolation (r = 0.891). The choice of kernel function and kernel width resulted in trade-offs in smoothing and resolution. Interpolation of feature activity to create spatial profiles from temporal trends is accurate and can standardize and facilitate MER functional localization of subcortical structures. The methods are computationally efficient, enhancing localization without imposing additional constraints on the MER clinical procedure during DBS surgery. Copyright © 2012 S. Karger AG, Basel.

Factorization and the synthesis of optimal feedback kernels for differential-delay systems

NASA Technical Reports Server (NTRS)

Milman, Mark M.; Scheid, Robert E.

1987-01-01

A combination of ideas from the theories of operator Riccati equations and Volterra factorizations leads to the derivation of a novel, relatively simple set of hyperbolic equations which characterize the optimal feedback kernel for the finite-time regulator problem for autonomous differential-delay systems. Analysis of these equations elucidates the underlying structure of the feedback kernel and leads to the development of fast and accurate numerical methods for its computation. Unlike traditional formulations based on the operator Riccati equation, the gain is characterized by means of classical solutions of the derived set of equations. This leads to the development of approximation schemes which are analogous to what has been accomplished for systems of ordinary differential equations with given initial conditions.

A simple method for computing the relativistic Compton scattering kernel for radiative transfer

NASA Technical Reports Server (NTRS)

Prasad, M. K.; Kershaw, D. S.; Beason, J. D.

1986-01-01

Correct computation of the Compton scattering kernel (CSK), defined to be the Klein-Nishina differential cross section averaged over a relativistic Maxwellian electron distribution, is reported. The CSK is analytically reduced to a single integral, which can then be rapidly evaluated using a power series expansion, asymptotic series, and rational approximation for sigma(s). The CSK calculation has application to production codes that aim at understanding certain astrophysical, laser fusion, and nuclear weapons effects phenomena.

Fast Gaussian kernel learning for classification tasks based on specially structured global optimization.

PubMed

Zhong, Shangping; Chen, Tianshun; He, Fengying; Niu, Yuzhen

2014-09-01

For a practical pattern classification task solved by kernel methods, the computing time is mainly spent on kernel learning (or training). However, the current kernel learning approaches are based on local optimization techniques, and hard to have good time performances, especially for large datasets. Thus the existing algorithms cannot be easily extended to large-scale tasks. In this paper, we present a fast Gaussian kernel learning method by solving a specially structured global optimization (SSGO) problem. We optimize the Gaussian kernel function by using the formulated kernel target alignment criterion, which is a difference of increasing (d.i.) functions. Through using a power-transformation based convexification method, the objective criterion can be represented as a difference of convex (d.c.) functions with a fixed power-transformation parameter. And the objective programming problem can then be converted to a SSGO problem: globally minimizing a concave function over a convex set. The SSGO problem is classical and has good solvability. Thus, to find the global optimal solution efficiently, we can adopt the improved Hoffman's outer approximation method, which need not repeat the searching procedure with different starting points to locate the best local minimum. Also, the proposed method can be proven to converge to the global solution for any classification task. We evaluate the proposed method on twenty benchmark datasets, and compare it with four other Gaussian kernel learning methods. Experimental results show that the proposed method stably achieves both good time-efficiency performance and good classification performance. Copyright © 2014 Elsevier Ltd. All rights reserved.

Reactive Collisions and Final State Analysis in Hypersonic Flight Regime

DTIC Science & Technology

2016-09-13

Kelvin.[7] The gas-phase, surface reactions and energy transfer at these tempera- tures are essentially uncharacterized and the experimental methodologies...high temperatures (1000 to 20000 K) and compared with results from experimentally derived thermodynamics quantities from the NASA CEA (NASA Chemical...with a reproducing kernel Hilbert space (RKHS) method[13] combined with Legendre polynomials; (2) quasi classical trajectory (QCT) calculations to study

Improved response functions for gamma-ray skyshine analyses

NASA Astrophysics Data System (ADS)

Shultis, J. K.; Faw, R. E.; Deng, X.

1992-09-01

A computationally simple method, based on line-beam response functions, is refined for estimating gamma skyshine dose rates. Critical to this method is the availability of an accurate approximation for the line-beam response function (LBRF). In this study, the LBRF is evaluated accurately with the point-kernel technique using recent photon interaction data. Various approximations to the LBRF are considered, and a three parameter formula is selected as the most practical approximation. By fitting the approximating formula to point-kernel results, a set of parameters is obtained that allows the LBRF to be quickly and accurately evaluated for energies between 0.01 and 15 MeV, for source-to-detector distances from 1 to 3000 m, and for beam angles from 0 to 180 degrees. This re-evaluation of the approximate LBRF gives better accuracy, especially at low energies, over a greater source-to-detector range than do previous LBRF approximations. A conical beam response function is also introduced for application to skyshine sources that are azimuthally symmetric about a vertical axis. The new response functions are then applied to three simple skyshine geometries (an open silo geometry, an infinite wall, and a rectangular four-wall building) and the results are compared to previous calculations and benchmark data.

Improved response functions for gamma-ray skyshine analyses

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

Shultis, J.K.; Faw, R.E.; Deng, X.

1992-09-01

A computationally simple method, based on line-beam response functions, is refined for estimating gamma skyshine dose rates. Critical to this method is the availability of an accurate approximation for the line-beam response function (LBRF). In this study the LBRF is evaluated accurately with the point-kernel technique using recent photon interaction data. Various approximations to the LBRF are considered, and a three parameter formula is selected as the most practical approximation. By fitting the approximating formula to point-kernel results, a set of parameters is obtained that allows the LBRF to be quickly and accurately evaluated for energies between 0.01 and 15more » MeV, for source-to-detector distances from 1 to 3000 m, and for beam angles from 0 to 180 degrees. This reevaluation of the approximate LBRF gives better accuracy, especially at low energies, over a greater source-to-detector range than do previous LBRF approximations. A conical beam response function is also introduced for application to skyshine sources that are azimuthally symmetric about a vertical axis. The new response functions are then applied to three simple skyshine geometries (an open silo geometry, an infinite wall, and a rectangular four-wall building) and the results compared to previous calculations and benchmark data.« less

Omnibus Risk Assessment via Accelerated Failure Time Kernel Machine Modeling

PubMed Central

Sinnott, Jennifer A.; Cai, Tianxi

2013-01-01

Summary Integrating genomic information with traditional clinical risk factors to improve the prediction of disease outcomes could profoundly change the practice of medicine. However, the large number of potential markers and possible complexity of the relationship between markers and disease make it difficult to construct accurate risk prediction models. Standard approaches for identifying important markers often rely on marginal associations or linearity assumptions and may not capture non-linear or interactive effects. In recent years, much work has been done to group genes into pathways and networks. Integrating such biological knowledge into statistical learning could potentially improve model interpretability and reliability. One effective approach is to employ a kernel machine (KM) framework, which can capture nonlinear effects if nonlinear kernels are used (Scholkopf and Smola, 2002; Liu et al., 2007, 2008). For survival outcomes, KM regression modeling and testing procedures have been derived under a proportional hazards (PH) assumption (Li and Luan, 2003; Cai et al., 2011). In this paper, we derive testing and prediction methods for KM regression under the accelerated failure time model, a useful alternative to the PH model. We approximate the null distribution of our test statistic using resampling procedures. When multiple kernels are of potential interest, it may be unclear in advance which kernel to use for testing and estimation. We propose a robust Omnibus Test that combines information across kernels, and an approach for selecting the best kernel for estimation. The methods are illustrated with an application in breast cancer. PMID:24328713

Kernel reconstruction methods for Doppler broadening - Temperature interpolation by linear combination of reference cross sections at optimally chosen temperatures

NASA Astrophysics Data System (ADS)

Ducru, Pablo; Josey, Colin; Dibert, Karia; Sobes, Vladimir; Forget, Benoit; Smith, Kord

2017-04-01

This article establishes a new family of methods to perform temperature interpolation of nuclear interactions cross sections, reaction rates, or cross sections times the energy. One of these quantities at temperature T is approximated as a linear combination of quantities at reference temperatures (Tj). The problem is formalized in a cross section independent fashion by considering the kernels of the different operators that convert cross section related quantities from a temperature T0 to a higher temperature T - namely the Doppler broadening operation. Doppler broadening interpolation of nuclear cross sections is thus here performed by reconstructing the kernel of the operation at a given temperature T by means of linear combination of kernels at reference temperatures (Tj). The choice of the L2 metric yields optimal linear interpolation coefficients in the form of the solutions of a linear algebraic system inversion. The optimization of the choice of reference temperatures (Tj) is then undertaken so as to best reconstruct, in the L∞ sense, the kernels over a given temperature range [Tmin ,Tmax ]. The performance of these kernel reconstruction methods is then assessed in light of previous temperature interpolation methods by testing them upon isotope 238U. Temperature-optimized free Doppler kernel reconstruction significantly outperforms all previous interpolation-based methods, achieving 0.1% relative error on temperature interpolation of 238U total cross section over the temperature range [ 300 K , 3000 K ] with only 9 reference temperatures.

GPU-Accelerated Forward and Back-Projections with Spatially Varying Kernels for 3D DIRECT TOF PET Reconstruction.

PubMed

Ha, S; Matej, S; Ispiryan, M; Mueller, K

2013-02-01

We describe a GPU-accelerated framework that efficiently models spatially (shift) variant system response kernels and performs forward- and back-projection operations with these kernels for the DIRECT (Direct Image Reconstruction for TOF) iterative reconstruction approach. Inherent challenges arise from the poor memory cache performance at non-axis aligned TOF directions. Focusing on the GPU memory access patterns, we utilize different kinds of GPU memory according to these patterns in order to maximize the memory cache performance. We also exploit the GPU instruction-level parallelism to efficiently hide long latencies from the memory operations. Our experiments indicate that our GPU implementation of the projection operators has slightly faster or approximately comparable time performance than FFT-based approaches using state-of-the-art FFTW routines. However, most importantly, our GPU framework can also efficiently handle any generic system response kernels, such as spatially symmetric and shift-variant as well as spatially asymmetric and shift-variant, both of which an FFT-based approach cannot cope with.

GPU-Accelerated Forward and Back-Projections With Spatially Varying Kernels for 3D DIRECT TOF PET Reconstruction

NASA Astrophysics Data System (ADS)

Ha, S.; Matej, S.; Ispiryan, M.; Mueller, K.

2013-02-01

We describe a GPU-accelerated framework that efficiently models spatially (shift) variant system response kernels and performs forward- and back-projection operations with these kernels for the DIRECT (Direct Image Reconstruction for TOF) iterative reconstruction approach. Inherent challenges arise from the poor memory cache performance at non-axis aligned TOF directions. Focusing on the GPU memory access patterns, we utilize different kinds of GPU memory according to these patterns in order to maximize the memory cache performance. We also exploit the GPU instruction-level parallelism to efficiently hide long latencies from the memory operations. Our experiments indicate that our GPU implementation of the projection operators has slightly faster or approximately comparable time performance than FFT-based approaches using state-of-the-art FFTW routines. However, most importantly, our GPU framework can also efficiently handle any generic system response kernels, such as spatially symmetric and shift-variant as well as spatially asymmetric and shift-variant, both of which an FFT-based approach cannot cope with.

Dynamic Experiment Design Regularization Approach to Adaptive Imaging with Array Radar/SAR Sensor Systems

PubMed Central

Shkvarko, Yuriy; Tuxpan, José; Santos, Stewart

2011-01-01

We consider a problem of high-resolution array radar/SAR imaging formalized in terms of a nonlinear ill-posed inverse problem of nonparametric estimation of the power spatial spectrum pattern (SSP) of the random wavefield scattered from a remotely sensed scene observed through a kernel signal formation operator and contaminated with random Gaussian noise. First, the Sobolev-type solution space is constructed to specify the class of consistent kernel SSP estimators with the reproducing kernel structures adapted to the metrics in such the solution space. Next, the “model-free” variational analysis (VA)-based image enhancement approach and the “model-based” descriptive experiment design (DEED) regularization paradigm are unified into a new dynamic experiment design (DYED) regularization framework. Application of the proposed DYED framework to the adaptive array radar/SAR imaging problem leads to a class of two-level (DEED-VA) regularized SSP reconstruction techniques that aggregate the kernel adaptive anisotropic windowing with the projections onto convex sets to enforce the consistency and robustness of the overall iterative SSP estimators. We also show how the proposed DYED regularization method may be considered as a generalization of the MVDR, APES and other high-resolution nonparametric adaptive radar sensing techniques. A family of the DYED-related algorithms is constructed and their effectiveness is finally illustrated via numerical simulations. PMID:22163859

An Algorithm to Generate Deep-Layer Temperatures from Microwave Satellite Observations for the Purpose of Monitoring Climate Change. Revised

NASA Technical Reports Server (NTRS)

Goldberg, Mitchell D.; Fleming, Henry E.

1994-01-01

An algorithm for generating deep-layer mean temperatures from satellite-observed microwave observations is presented. Unlike traditional temperature retrieval methods, this algorithm does not require a first guess temperature of the ambient atmosphere. By eliminating the first guess a potentially systematic source of error has been removed. The algorithm is expected to yield long-term records that are suitable for detecting small changes in climate. The atmospheric contribution to the deep-layer mean temperature is given by the averaging kernel. The algorithm computes the coefficients that will best approximate a desired averaging kernel from a linear combination of the satellite radiometer's weighting functions. The coefficients are then applied to the measurements to yield the deep-layer mean temperature. Three constraints were used in deriving the algorithm: (1) the sum of the coefficients must be one, (2) the noise of the product is minimized, and (3) the shape of the approximated averaging kernel is well-behaved. Note that a trade-off between constraints 2 and 3 is unavoidable. The algorithm can also be used to combine measurements from a future sensor (i.e., the 20-channel Advanced Microwave Sounding Unit (AMSU)) to yield the same averaging kernel as that based on an earlier sensor (i.e., the 4-channel Microwave Sounding Unit (MSU)). This will allow a time series of deep-layer mean temperatures based on MSU measurements to be continued with AMSU measurements. The AMSU is expected to replace the MSU in 1996.

Development of FullWave : Hot Plasma RF Simulation Tool

NASA Astrophysics Data System (ADS)

Svidzinski, Vladimir; Kim, Jin-Soo; Spencer, J. Andrew; Zhao, Liangji; Galkin, Sergei

2017-10-01

Full wave simulation tool, modeling RF fields in hot inhomogeneous magnetized plasma, is being developed. The wave equations with linearized hot plasma dielectric response are solved in configuration space on adaptive cloud of computational points. The nonlocal hot plasma dielectric response is formulated in configuration space without limiting approximations by calculating the plasma conductivity kernel based on the solution of the linearized Vlasov equation in inhomogeneous magnetic field. This approach allows for better resolution of plasma resonances, antenna structures and complex boundaries. The formulation of FullWave and preliminary results will be presented: construction of the finite differences for approximation of derivatives on adaptive cloud of computational points; model and results of nonlocal conductivity kernel calculation in tokamak geometry; results of 2-D full wave simulations in the cold plasma model in tokamak geometry using the formulated approach; results of self-consistent calculations of hot plasma dielectric response and RF fields in 1-D mirror magnetic field; preliminary results of self-consistent simulations of 2-D RF fields in tokamak using the calculated hot plasma conductivity kernel; development of iterative solver for wave equations. Work is supported by the U.S. DOE SBIR program.

Rocksalt or cesium chloride: Investigating the relative stability of the cesium halide structures with random phase approximation based methods

NASA Astrophysics Data System (ADS)

Nepal, Niraj K.; Ruzsinszky, Adrienn; Bates, Jefferson E.

2018-03-01

The ground state structural and energetic properties for rocksalt and cesium chloride phases of the cesium halides were explored using the random phase approximation (RPA) and beyond-RPA methods to benchmark the nonempirical SCAN meta-GGA and its empirical dispersion corrections. The importance of nonadditivity and higher-order multipole moments of dispersion in these systems is discussed. RPA generally predicts the equilibrium volume for these halides within 2.4% of the experimental value, while beyond-RPA methods utilizing the renormalized adiabatic LDA (rALDA) exchange-correlation kernel are typically within 1.8%. The zero-point vibrational energy is small and shows that the stability of these halides is purely due to electronic correlation effects. The rAPBE kernel as a correction to RPA overestimates the equilibrium volume and could not predict the correct phase ordering in the case of cesium chloride, while the rALDA kernel consistently predicted results in agreement with the experiment for all of the halides. However, due to its reasonable accuracy with lower computational cost, SCAN+rVV10 proved to be a good alternative to the RPA-like methods for describing the properties of these ionic solids.

A dose assessment method for arbitrary geometries with virtual reality in the nuclear facilities decommissioning

NASA Astrophysics Data System (ADS)

Chao, Nan; Liu, Yong-kuo; Xia, Hong; Ayodeji, Abiodun; Bai, Lu

2018-03-01

During the decommissioning of nuclear facilities, a large number of cutting and demolition activities are performed, which results in a frequent change in the structure and produce many irregular objects. In order to assess dose rates during the cutting and demolition process, a flexible dose assessment method for arbitrary geometries and radiation sources was proposed based on virtual reality technology and Point-Kernel method. The initial geometry is designed with the three-dimensional computer-aided design tools. An approximate model is built automatically in the process of geometric modeling via three procedures namely: space division, rough modeling of the body and fine modeling of the surface, all in combination with collision detection of virtual reality technology. Then point kernels are generated by sampling within the approximate model, and when the material and radiometric attributes are inputted, dose rates can be calculated with the Point-Kernel method. To account for radiation scattering effects, buildup factors are calculated with the Geometric-Progression formula in the fitting function. The effectiveness and accuracy of the proposed method was verified by means of simulations using different geometries and the dose rate results were compared with that derived from CIDEC code, MCNP code and experimental measurements.

Bose-Einstein condensation on a manifold with non-negative Ricci curvature

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

Akant, Levent, E-mail: levent.akant@boun.edu.tr; Ertuğrul, Emine, E-mail: emine.ertugrul@boun.edu.tr; Tapramaz, Ferzan, E-mail: waskhez@gmail.com

The Bose-Einstein condensation for an ideal Bose gas and for a dilute weakly interacting Bose gas in a manifold with non-negative Ricci curvature is investigated using the heat kernel and eigenvalue estimates of the Laplace operator. The main focus is on the nonrelativistic gas. However, special relativistic ideal gas is also discussed. The thermodynamic limit of the heat kernel and eigenvalue estimates is taken and the results are used to derive bounds for the depletion coefficient. In the case of a weakly interacting gas, Bogoliubov approximation is employed. The ground state is analyzed using heat kernel methods and finite sizemore » effects on the ground state energy are proposed. The justification of the c-number substitution on a manifold is given.« less

Reproducing Kernel Particle Method in Plasticity of Pressure-Sensitive Material with Reference to Powder Forming Process

NASA Astrophysics Data System (ADS)

Khoei, A. R.; Samimi, M.; Azami, A. R.

2007-02-01

In this paper, an application of the reproducing kernel particle method (RKPM) is presented in plasticity behavior of pressure-sensitive material. The RKPM technique is implemented in large deformation analysis of powder compaction process. The RKPM shape function and its derivatives are constructed by imposing the consistency conditions. The essential boundary conditions are enforced by the use of the penalty approach. The support of the RKPM shape function covers the same set of particles during powder compaction, hence no instability is encountered in the large deformation computation. A double-surface plasticity model is developed in numerical simulation of pressure-sensitive material. The plasticity model includes a failure surface and an elliptical cap, which closes the open space between the failure surface and hydrostatic axis. The moving cap expands in the stress space according to a specified hardening rule. The cap model is presented within the framework of large deformation RKPM analysis in order to predict the non-uniform relative density distribution during powder die pressing. Numerical computations are performed to demonstrate the applicability of the algorithm in modeling of powder forming processes and the results are compared to those obtained from finite element simulation to demonstrate the accuracy of the proposed model.

Investigation of various energy deposition kernel refinements for the convolution/superposition method

PubMed Central

Huang, Jessie Y.; Eklund, David; Childress, Nathan L.; Howell, Rebecca M.; Mirkovic, Dragan; Followill, David S.; Kry, Stephen F.

2013-01-01

Purpose: Several simplifications used in clinical implementations of the convolution/superposition (C/S) method, specifically, density scaling of water kernels for heterogeneous media and use of a single polyenergetic kernel, lead to dose calculation inaccuracies. Although these weaknesses of the C/S method are known, it is not well known which of these simplifications has the largest effect on dose calculation accuracy in clinical situations. The purpose of this study was to generate and characterize high-resolution, polyenergetic, and material-specific energy deposition kernels (EDKs), as well as to investigate the dosimetric impact of implementing spatially variant polyenergetic and material-specific kernels in a collapsed cone C/S algorithm. Methods: High-resolution, monoenergetic water EDKs and various material-specific EDKs were simulated using the EGSnrc Monte Carlo code. Polyenergetic kernels, reflecting the primary spectrum of a clinical 6 MV photon beam at different locations in a water phantom, were calculated for different depths, field sizes, and off-axis distances. To investigate the dosimetric impact of implementing spatially variant polyenergetic kernels, depth dose curves in water were calculated using two different implementations of the collapsed cone C/S method. The first method uses a single polyenergetic kernel, while the second method fully takes into account spectral changes in the convolution calculation. To investigate the dosimetric impact of implementing material-specific kernels, depth dose curves were calculated for a simplified titanium implant geometry using both a traditional C/S implementation that performs density scaling of water kernels and a novel implementation using material-specific kernels. Results: For our high-resolution kernels, we found good agreement with the Mackie et al. kernels, with some differences near the interaction site for low photon energies (<500 keV). For our spatially variant polyenergetic kernels, we found that depth was the most dominant factor affecting the pattern of energy deposition; however, the effects of field size and off-axis distance were not negligible. For the material-specific kernels, we found that as the density of the material increased, more energy was deposited laterally by charged particles, as opposed to in the forward direction. Thus, density scaling of water kernels becomes a worse approximation as the density and the effective atomic number of the material differ more from water. Implementation of spatially variant, polyenergetic kernels increased the percent depth dose value at 25 cm depth by 2.1%–5.8% depending on the field size, while implementation of titanium kernels gave 4.9% higher dose upstream of the metal cavity (i.e., higher backscatter dose) and 8.2% lower dose downstream of the cavity. Conclusions: Of the various kernel refinements investigated, inclusion of depth-dependent and metal-specific kernels into the C/S method has the greatest potential to improve dose calculation accuracy. Implementation of spatially variant polyenergetic kernels resulted in a harder depth dose curve and thus has the potential to affect beam modeling parameters obtained in the commissioning process. For metal implants, the C/S algorithms generally underestimate the dose upstream and overestimate the dose downstream of the implant. Implementation of a metal-specific kernel mitigated both of these errors. PMID:24320507

Online selective kernel-based temporal difference learning.

PubMed

Chen, Xingguo; Gao, Yang; Wang, Ruili

2013-12-01

In this paper, an online selective kernel-based temporal difference (OSKTD) learning algorithm is proposed to deal with large scale and/or continuous reinforcement learning problems. OSKTD includes two online procedures: online sparsification and parameter updating for the selective kernel-based value function. A new sparsification method (i.e., a kernel distance-based online sparsification method) is proposed based on selective ensemble learning, which is computationally less complex compared with other sparsification methods. With the proposed sparsification method, the sparsified dictionary of samples is constructed online by checking if a sample needs to be added to the sparsified dictionary. In addition, based on local validity, a selective kernel-based value function is proposed to select the best samples from the sample dictionary for the selective kernel-based value function approximator. The parameters of the selective kernel-based value function are iteratively updated by using the temporal difference (TD) learning algorithm combined with the gradient descent technique. The complexity of the online sparsification procedure in the OSKTD algorithm is O(n). In addition, two typical experiments (Maze and Mountain Car) are used to compare with both traditional and up-to-date O(n) algorithms (GTD, GTD2, and TDC using the kernel-based value function), and the results demonstrate the effectiveness of our proposed algorithm. In the Maze problem, OSKTD converges to an optimal policy and converges faster than both traditional and up-to-date algorithms. In the Mountain Car problem, OSKTD converges, requires less computation time compared with other sparsification methods, gets a better local optima than the traditional algorithms, and converges much faster than the up-to-date algorithms. In addition, OSKTD can reach a competitive ultimate optima compared with the up-to-date algorithms.

Experimental pencil beam kernels derivation for 3D dose calculation in flattening filter free modulated fields

NASA Astrophysics Data System (ADS)

Diego Azcona, Juan; Barbés, Benigno; Wang, Lilie; Burguete, Javier

2016-01-01

This paper presents a method to obtain the pencil-beam kernels that characterize a megavoltage photon beam generated in a flattening filter free (FFF) linear accelerator (linac) by deconvolution from experimental measurements at different depths. The formalism is applied to perform independent dose calculations in modulated fields. In our previous work a formalism was developed for ideal flat fluences exiting the linac’s head. That framework could not deal with spatially varying energy fluences, so any deviation from the ideal flat fluence was treated as a perturbation. The present work addresses the necessity of implementing an exact analysis where any spatially varying fluence can be used such as those encountered in FFF beams. A major improvement introduced here is to handle the actual fluence in the deconvolution procedure. We studied the uncertainties associated to the kernel derivation with this method. Several Kodak EDR2 radiographic films were irradiated with a 10 MV FFF photon beam from two linacs from different vendors, at the depths of 5, 10, 15, and 20cm in polystyrene (RW3 water-equivalent phantom, PTW Freiburg, Germany). The irradiation field was a 50mm diameter circular field, collimated with a lead block. The 3D kernel for a FFF beam was obtained by deconvolution using the Hankel transform. A correction on the low dose part of the kernel was performed to reproduce accurately the experimental output factors. Error uncertainty in the kernel derivation procedure was estimated to be within 0.2%. Eighteen modulated fields used clinically in different treatment localizations were irradiated at four measurement depths (total of fifty-four film measurements). Comparison through the gamma-index to their corresponding calculated absolute dose distributions showed a number of passing points (3%, 3mm) mostly above 99%. This new procedure is more reliable and robust than the previous one. Its ability to perform accurate independent dose calculations was demonstrated.

Phylodynamic Inference with Kernel ABC and Its Application to HIV Epidemiology.

PubMed

Poon, Art F Y

2015-09-01

The shapes of phylogenetic trees relating virus populations are determined by the adaptation of viruses within each host, and by the transmission of viruses among hosts. Phylodynamic inference attempts to reverse this flow of information, estimating parameters of these processes from the shape of a virus phylogeny reconstructed from a sample of genetic sequences from the epidemic. A key challenge to phylodynamic inference is quantifying the similarity between two trees in an efficient and comprehensive way. In this study, I demonstrate that a new distance measure, based on a subset tree kernel function from computational linguistics, confers a significant improvement over previous measures of tree shape for classifying trees generated under different epidemiological scenarios. Next, I incorporate this kernel-based distance measure into an approximate Bayesian computation (ABC) framework for phylodynamic inference. ABC bypasses the need for an analytical solution of model likelihood, as it only requires the ability to simulate data from the model. I validate this "kernel-ABC" method for phylodynamic inference by estimating parameters from data simulated under a simple epidemiological model. Results indicate that kernel-ABC attained greater accuracy for parameters associated with virus transmission than leading software on the same data sets. Finally, I apply the kernel-ABC framework to study a recent outbreak of a recombinant HIV subtype in China. Kernel-ABC provides a versatile framework for phylodynamic inference because it can fit a broader range of models than methods that rely on the computation of exact likelihoods. © The Author 2015. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

Omnibus risk assessment via accelerated failure time kernel machine modeling.

PubMed

Sinnott, Jennifer A; Cai, Tianxi

2013-12-01

Integrating genomic information with traditional clinical risk factors to improve the prediction of disease outcomes could profoundly change the practice of medicine. However, the large number of potential markers and possible complexity of the relationship between markers and disease make it difficult to construct accurate risk prediction models. Standard approaches for identifying important markers often rely on marginal associations or linearity assumptions and may not capture non-linear or interactive effects. In recent years, much work has been done to group genes into pathways and networks. Integrating such biological knowledge into statistical learning could potentially improve model interpretability and reliability. One effective approach is to employ a kernel machine (KM) framework, which can capture nonlinear effects if nonlinear kernels are used (Scholkopf and Smola, 2002; Liu et al., 2007, 2008). For survival outcomes, KM regression modeling and testing procedures have been derived under a proportional hazards (PH) assumption (Li and Luan, 2003; Cai, Tonini, and Lin, 2011). In this article, we derive testing and prediction methods for KM regression under the accelerated failure time (AFT) model, a useful alternative to the PH model. We approximate the null distribution of our test statistic using resampling procedures. When multiple kernels are of potential interest, it may be unclear in advance which kernel to use for testing and estimation. We propose a robust Omnibus Test that combines information across kernels, and an approach for selecting the best kernel for estimation. The methods are illustrated with an application in breast cancer. © 2013, The International Biometric Society.

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

Hornung, Richard D.; Hones, Holger E.

The RAJA Performance Suite is designed to evaluate performance of the RAJA performance portability library on a wide variety of important high performance computing (HPC) algorithmic lulmels. These kernels assess compiler optimizations and various parallel programming model backends accessible through RAJA, such as OpenMP, CUDA, etc. The Initial version of the suite contains 25 computational kernels, each of which appears in 6 variants: Baseline SequcntiaJ, RAJA SequentiaJ, Baseline OpenMP, RAJA OpenMP, Baseline CUDA, RAJA CUDA. All variants of each kernel perform essentially the same mathematical operations and the loop body code for each kernel is identical across all variants. Theremore » are a few kernels, such as those that contain reduction operations, that require CUDA-specific coding for their CUDA variants. ActuaJ computer instructions executed and how they run in parallel differs depending on the parallel programming model backend used and which optimizations are perfonned by the compiler used to build the Perfonnance Suite executable. The Suite will be used primarily by RAJA developers to perform regular assessments of RAJA performance across a range of hardware platforms and compilers as RAJA features are being developed. It will also be used by LLNL hardware and software vendor panners for new defining requirements for future computing platform procurements and acceptance testing. In particular, the RAJA Performance Suite will be used for compiler acceptance testing of the upcoming CORAUSierra machine {initial LLNL delivery expected in late-2017/early 2018) and the CORAL-2 procurement. The Suite will aJso be used to generate concise source code reproducers of compiler and runtime issues we uncover so that we may provide them to relevant vendors to be fixed.« less

Explaining Support Vector Machines: A Color Based Nomogram

PubMed Central

Van Belle, Vanya; Van Calster, Ben; Van Huffel, Sabine; Suykens, Johan A. K.; Lisboa, Paulo

2016-01-01

Problem setting Support vector machines (SVMs) are very popular tools for classification, regression and other problems. Due to the large choice of kernels they can be applied with, a large variety of data can be analysed using these tools. Machine learning thanks its popularity to the good performance of the resulting models. However, interpreting the models is far from obvious, especially when non-linear kernels are used. Hence, the methods are used as black boxes. As a consequence, the use of SVMs is less supported in areas where interpretability is important and where people are held responsible for the decisions made by models. Objective In this work, we investigate whether SVMs using linear, polynomial and RBF kernels can be explained such that interpretations for model-based decisions can be provided. We further indicate when SVMs can be explained and in which situations interpretation of SVMs is (hitherto) not possible. Here, explainability is defined as the ability to produce the final decision based on a sum of contributions which depend on one single or at most two input variables. Results Our experiments on simulated and real-life data show that explainability of an SVM depends on the chosen parameter values (degree of polynomial kernel, width of RBF kernel and regularization constant). When several combinations of parameter values yield the same cross-validation performance, combinations with a lower polynomial degree or a larger kernel width have a higher chance of being explainable. Conclusions This work summarizes SVM classifiers obtained with linear, polynomial and RBF kernels in a single plot. Linear and polynomial kernels up to the second degree are represented exactly. For other kernels an indication of the reliability of the approximation is presented. The complete methodology is available as an R package and two apps and a movie are provided to illustrate the possibilities offered by the method. PMID:27723811

Encoding Dissimilarity Data for Statistical Model Building.

PubMed

Wahba, Grace

2010-12-01

We summarize, review and comment upon three papers which discuss the use of discrete, noisy, incomplete, scattered pairwise dissimilarity data in statistical model building. Convex cone optimization codes are used to embed the objects into a Euclidean space which respects the dissimilarity information while controlling the dimension of the space. A "newbie" algorithm is provided for embedding new objects into this space. This allows the dissimilarity information to be incorporated into a Smoothing Spline ANOVA penalized likelihood model, a Support Vector Machine, or any model that will admit Reproducing Kernel Hilbert Space components, for nonparametric regression, supervised learning, or semi-supervised learning. Future work and open questions are discussed. The papers are: F. Lu, S. Keles, S. Wright and G. Wahba 2005. A framework for kernel regularization with application to protein clustering. Proceedings of the National Academy of Sciences 102, 12332-1233.G. Corrada Bravo, G. Wahba, K. Lee, B. Klein, R. Klein and S. Iyengar 2009. Examining the relative influence of familial, genetic and environmental covariate information in flexible risk models. Proceedings of the National Academy of Sciences 106, 8128-8133F. Lu, Y. Lin and G. Wahba. Robust manifold unfolding with kernel regularization. TR 1008, Department of Statistics, University of Wisconsin-Madison.

Retrieval of the aerosol size distribution in the complex anomalous diffraction approximation

NASA Astrophysics Data System (ADS)

Franssens, Ghislain R.

This contribution reports some recently achieved results in aerosol size distribution retrieval in the complex anomalous diffraction approximation (ADA) to MIE scattering theory. This approximation is valid for spherical particles that are large compared to the wavelength and have a refractive index close to 1. The ADA kernel is compared with the exact MIE kernel. Despite being a simple approximation, the ADA seems to have some practical value for the retrieval of the larger modes of tropospheric and lower stratospheric aerosols. The ADA has the advantage over MIE theory that an analytic inversion of the associated Fredholm integral equation becomes possible. In addition, spectral inversion in the ADA can be formulated as a well-posed problem. In this way, a new inverse formula was obtained, which allows the direct computation of the size distribution as an integral over the spectral extinction function. This formula is valid for particles that both scatter and absorb light and it also takes the spectral dispersion of the refractive index into account. Some details of the numerical implementation of the inverse formula are illustrated using a modified gamma test distribution. Special attention is given to the integration of spectrally truncated discrete extinction data with errors.

Structured Kernel Subspace Learning for Autonomous Robot Navigation.

PubMed

Kim, Eunwoo; Choi, Sungjoon; Oh, Songhwai

2018-02-14

This paper considers two important problems for autonomous robot navigation in a dynamic environment, where the goal is to predict pedestrian motion and control a robot with the prediction for safe navigation. While there are several methods for predicting the motion of a pedestrian and controlling a robot to avoid incoming pedestrians, it is still difficult to safely navigate in a dynamic environment due to challenges, such as the varying quality and complexity of training data with unwanted noises. This paper addresses these challenges simultaneously by proposing a robust kernel subspace learning algorithm based on the recent advances in nuclear-norm and l 1 -norm minimization. We model the motion of a pedestrian and the robot controller using Gaussian processes. The proposed method efficiently approximates a kernel matrix used in Gaussian process regression by learning low-rank structured matrix (with symmetric positive semi-definiteness) to find an orthogonal basis, which eliminates the effects of erroneous and inconsistent data. Based on structured kernel subspace learning, we propose a robust motion model and motion controller for safe navigation in dynamic environments. We evaluate the proposed robust kernel learning in various tasks, including regression, motion prediction, and motion control problems, and demonstrate that the proposed learning-based systems are robust against outliers and outperform existing regression and navigation methods.

A Fast Reduced Kernel Extreme Learning Machine.

PubMed

Deng, Wan-Yu; Ong, Yew-Soon; Zheng, Qing-Hua

2016-04-01

In this paper, we present a fast and accurate kernel-based supervised algorithm referred to as the Reduced Kernel Extreme Learning Machine (RKELM). In contrast to the work on Support Vector Machine (SVM) or Least Square SVM (LS-SVM), which identifies the support vectors or weight vectors iteratively, the proposed RKELM randomly selects a subset of the available data samples as support vectors (or mapping samples). By avoiding the iterative steps of SVM, significant cost savings in the training process can be readily attained, especially on Big datasets. RKELM is established based on the rigorous proof of universal learning involving reduced kernel-based SLFN. In particular, we prove that RKELM can approximate any nonlinear functions accurately under the condition of support vectors sufficiency. Experimental results on a wide variety of real world small instance size and large instance size applications in the context of binary classification, multi-class problem and regression are then reported to show that RKELM can perform at competitive level of generalized performance as the SVM/LS-SVM at only a fraction of the computational effort incurred. Copyright © 2015 Elsevier Ltd. All rights reserved.

Efficient similarity-based data clustering by optimal object to cluster reallocation.

PubMed

Rossignol, Mathias; Lagrange, Mathieu; Cont, Arshia

2018-01-01

We present an iterative flat hard clustering algorithm designed to operate on arbitrary similarity matrices, with the only constraint that these matrices be symmetrical. Although functionally very close to kernel k-means, our proposal performs a maximization of average intra-class similarity, instead of a squared distance minimization, in order to remain closer to the semantics of similarities. We show that this approach permits the relaxing of some conditions on usable affinity matrices like semi-positiveness, as well as opening possibilities for computational optimization required for large datasets. Systematic evaluation on a variety of data sets shows that compared with kernel k-means and the spectral clustering methods, the proposed approach gives equivalent or better performance, while running much faster. Most notably, it significantly reduces memory access, which makes it a good choice for large data collections. Material enabling the reproducibility of the results is made available online.

Nonlocal and Nonadiabatic Effects in the Charge-Density Response of Solids: A Time-Dependent Density-Functional Approach

NASA Astrophysics Data System (ADS)

Panholzer, Martin; Gatti, Matteo; Reining, Lucia

2018-04-01

The charge-density response of extended materials is usually dominated by the collective oscillation of electrons, the plasmons. Beyond this feature, however, intriguing many-body effects are observed. They cannot be described by one of the most widely used approaches for the calculation of dielectric functions, which is time-dependent density functional theory (TDDFT) in the adiabatic local density approximation (ALDA). Here, we propose an approximation to the TDDFT exchange-correlation kernel which is nonadiabatic and nonlocal. It is extracted from correlated calculations in the homogeneous electron gas, where we have tabulated it for a wide range of wave vectors and frequencies. A simple mean density approximation allows one to use it in inhomogeneous materials where the density varies on a scale of 1.6 rs or faster. This kernel contains effects that are completely absent in the ALDA; in particular, it correctly describes the double plasmon in the dynamic structure factor of sodium, and it shows the characteristic low-energy peak that appears in systems with low electronic density. It also leads to an overall quantitative improvement of spectra.

Nonlocal and Nonadiabatic Effects in the Charge-Density Response of Solids: A Time-Dependent Density-Functional Approach.

PubMed

Panholzer, Martin; Gatti, Matteo; Reining, Lucia

2018-04-20

The charge-density response of extended materials is usually dominated by the collective oscillation of electrons, the plasmons. Beyond this feature, however, intriguing many-body effects are observed. They cannot be described by one of the most widely used approaches for the calculation of dielectric functions, which is time-dependent density functional theory (TDDFT) in the adiabatic local density approximation (ALDA). Here, we propose an approximation to the TDDFT exchange-correlation kernel which is nonadiabatic and nonlocal. It is extracted from correlated calculations in the homogeneous electron gas, where we have tabulated it for a wide range of wave vectors and frequencies. A simple mean density approximation allows one to use it in inhomogeneous materials where the density varies on a scale of 1.6 r_{s} or faster. This kernel contains effects that are completely absent in the ALDA; in particular, it correctly describes the double plasmon in the dynamic structure factor of sodium, and it shows the characteristic low-energy peak that appears in systems with low electronic density. It also leads to an overall quantitative improvement of spectra.

Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem

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

Pribram-Jones, Aurora; Grabowski, Paul E.; Burke, Kieron

We present that the van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of TDDFT, and fluctuation dissipation theorem for DFT. Finally, this produces a natural method for generating new thermal exchange-correlation approximations.

Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem

DOE PAGES

Pribram-Jones, Aurora; Grabowski, Paul E.; Burke, Kieron

2016-06-08

We present that the van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles. This allows generalization to finite temperatures of the Gross-Kohn relation, the exchange-correlation kernel of TDDFT, and fluctuation dissipation theorem for DFT. Finally, this produces a natural method for generating new thermal exchange-correlation approximations.

Milne problem for non-absorbing medium with extremely anisotropic scattering kernel in the case of specular and diffuse reflecting boundaries

NASA Astrophysics Data System (ADS)

Güleçyüz, M. Ç.; Şenyiğit, M.; Ersoy, A.

2018-01-01

The Milne problem is studied in one speed neutron transport theory using the linearly anisotropic scattering kernel which combines forward and backward scatterings (extremely anisotropic scattering) for a non-absorbing medium with specular and diffuse reflection boundary conditions. In order to calculate the extrapolated endpoint for the Milne problem, Legendre polynomial approximation (PN method) is applied and numerical results are tabulated for selected cases as a function of different degrees of anisotropic scattering. Finally, some results are discussed and compared with the existing results in literature.

On the solution of integral equations with strongly singular kernels

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1986-01-01

Some useful formulas are developed to evaluate integrals having a singularity of the form (t-x) sup-m ,m greater than or equal 1. Interpreting the integrals with strong singularities in Hadamard sense, the results are used to obtain approximate solutions of singular integral equations. A mixed boundary value problem from the theory of elasticity is considered as an example. Particularly for integral equations where the kernel contains, in addition to the dominant term (t-x) sup -m , terms which become unbounded at the end points, the present technique appears to be extremely effective to obtain rapidly converging numerical results.

On the solution of integral equations with strong ly singular kernels

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1985-01-01

In this paper some useful formulas are developed to evaluate integrals having a singularity of the form (t-x) sup-m, m or = 1. Interpreting the integrals with strong singularities in Hadamard sense, the results are used to obtain approximate solutions of singular integral equations. A mixed boundary value problem from the theory of elasticity is considered as an example. Particularly for integral equations where the kernel contains, in addition to the dominant term (t,x) sup-m, terms which become unbounded at the end points, the present technique appears to be extremely effective to obtain rapidly converging numerical results.

On the solution of integral equations with strongly singular kernels

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1987-01-01

Some useful formulas are developed to evaluate integrals having a singularity of the form (t-x) sup-m, m greater than or equal 1. Interpreting the integrals with strong singularities in Hadamard sense, the results are used to obtain approximate solutions of singular integral equations. A mixed boundary value problem from the theory of elasticity is considered as an example. Particularly for integral equations where the kernel contains, in addition to the dominant term (t-x) sup-m, terms which become unbounded at the end points, the present technique appears to be extremely effective to obtain rapidly converging numerical results.

A ℓ2, 1 norm regularized multi-kernel learning for false positive reduction in Lung nodule CAD.

PubMed

Cao, Peng; Liu, Xiaoli; Zhang, Jian; Li, Wei; Zhao, Dazhe; Huang, Min; Zaiane, Osmar

2017-03-01

The aim of this paper is to describe a novel algorithm for False Positive Reduction in lung nodule Computer Aided Detection(CAD). In this paper, we describes a new CT lung CAD method which aims to detect solid nodules. Specially, we proposed a multi-kernel classifier with a ℓ 2, 1 norm regularizer for heterogeneous feature fusion and selection from the feature subset level, and designed two efficient strategies to optimize the parameters of kernel weights in non-smooth ℓ 2, 1 regularized multiple kernel learning algorithm. The first optimization algorithm adapts a proximal gradient method for solving the ℓ 2, 1 norm of kernel weights, and use an accelerated method based on FISTA; the second one employs an iterative scheme based on an approximate gradient descent method. The results demonstrates that the FISTA-style accelerated proximal descent method is efficient for the ℓ 2, 1 norm formulation of multiple kernel learning with the theoretical guarantee of the convergence rate. Moreover, the experimental results demonstrate the effectiveness of the proposed methods in terms of Geometric mean (G-mean) and Area under the ROC curve (AUC), and significantly outperforms the competing methods. The proposed approach exhibits some remarkable advantages both in heterogeneous feature subsets fusion and classification phases. Compared with the fusion strategies of feature-level and decision level, the proposed ℓ 2, 1 norm multi-kernel learning algorithm is able to accurately fuse the complementary and heterogeneous feature sets, and automatically prune the irrelevant and redundant feature subsets to form a more discriminative feature set, leading a promising classification performance. Moreover, the proposed algorithm consistently outperforms the comparable classification approaches in the literature. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Investigations of Reactive Processes at Temperatures Relevant to the Hypersonic Flight Regime

DTIC Science & Technology

2014-10-31

molecule is constructed based on high- level ab-initio calculations and interpolated using the reproducible kernel Hilbert space (RKHS) method and...a potential energy surface (PES) for the ground state of the NO2 molecule is constructed based on high- level ab initio calculations and interpolated...between O(3P) and NO(2Π) at higher temperatures relevant to the hypersonic flight regime of reentering space- crafts. At a more fundamental level , we

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

PubMed

Yao, Jincao; Yu, Huimin; Hu, Roland

2017-01-01

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

Hydroxocobalamin treatment of acute cyanide poisoning from apricot kernels.

PubMed

Cigolini, Davide; Ricci, Giogio; Zannoni, Massimo; Codogni, Rosalia; De Luca, Manuela; Perfetti, Paola; Rocca, Giampaolo

2011-05-24

Clinical experience with hydroxocobalamin in acute cyanide poisoning via ingestion remains limited. This case concerns a 35-year-old mentally ill woman who consumed more than 20 apricot kernels. Published literature suggests each kernel would have contained cyanide concentrations ranging from 0.122 to 4.09 mg/g (average 2.92 mg/g). On arrival, the woman appeared asymptomatic with a raised pulse rate and slight metabolic acidosis. Forty minutes after admission (approximately 70 min postingestion), the patient experienced headache, nausea and dyspnoea, and was hypotensive, hypoxic and tachypnoeic. Following treatment with amyl nitrite and sodium thiosulphate, her methaemoglobin level was 10%. This prompted the administration of oxygen, which evoked a slight improvement in her vital signs. Hydroxocobalamin was then administered. After 24 h, she was completely asymptomatic with normalised blood pressure and other haemodynamic parameters. This case reinforces the safety and effectiveness of hydroxocobalamin in acute cyanide poisoning by ingestion.

Hydroxocobalamin treatment of acute cyanide poisoning from apricot kernels.

PubMed

Cigolini, Davide; Ricci, Giogio; Zannoni, Massimo; Codogni, Rosalia; De Luca, Manuela; Perfetti, Paola; Rocca, Giampaolo

2011-09-01

Clinical experience with hydroxocobalamin in acute cyanide poisoning via ingestion remains limited. This case concerns a 35-year-old mentally ill woman who consumed more than 20 apricot kernels. Published literature suggests each kernel would have contained cyanide concentrations ranging from 0.122 to 4.09 mg/g (average 2.92 mg/g). On arrival, the woman appeared asymptomatic with a raised pulse rate and slight metabolic acidosis. Forty minutes after admission (approximately 70 min postingestion), the patient experienced headache, nausea and dyspnoea, and was hypotensive, hypoxic and tachypnoeic. Following treatment with amyl nitrite and sodium thiosulphate, her methaemoglobin level was 10%. This prompted the administration of oxygen, which evoked a slight improvement in her vital signs. Hydroxocobalamin was then administered. After 24 h, she was completely asymptomatic with normalised blood pressure and other haemodynamic parameters. This case reinforces the safety and effectiveness of hydroxocobalamin in acute cyanide poisoning by ingestion.

Signal dependence of inter-pixel capacitance in hybridized HgCdTe H2RG arrays for use in James Webb space telescope's NIRcam

NASA Astrophysics Data System (ADS)

Donlon, Kevan; Ninkov, Zoran; Baum, Stefi

2016-08-01

Interpixel capacitance (IPC) is a deterministic electronic coupling by which signal generated in one pixel is measured in neighboring pixels. Examination of dark frames from test NIRcam arrays corroborates earlier results and simulations illustrating a signal dependent coupling. When the signal on an individual pixel is larger, the fractional coupling to nearest neighbors is lesser than when the signal is lower. Frames from test arrays indicate a drop in average coupling from approximately 1.0% at low signals down to approximately 0.65% at high signals depending on the particular array in question. The photometric ramifications for this non-uniformity are not fully understood. This non-uniformity intro-duces a non-linearity in the current mathematical model for IPC coupling. IPC coupling has been mathematically formalized as convolution by a blur kernel. Signal dependence requires that the blur kernel be locally defined as a function of signal intensity. Through application of a signal dependent coupling kernel, the IPC coupling can be modeled computationally. This method allows for simultaneous knowledge of the intrinsic parameters of the image scene, the result of applying a constant IPC, and the result of a signal dependent IPC. In the age of sub-pixel precision in astronomy these effects must be properly understood and accounted for in order for the data to accurately represent the object of observation. Implementation of this method is done through python scripted processing of images. The introduction of IPC into simulated frames is accomplished through convolution of the image with a blur kernel whose parameters are themselves locally defined functions of the image. These techniques can be used to enhance the data processing pipeline for NIRcam.

The Kondo problem. II. Crossover from asymptotic freedom to infrared slavery

NASA Astrophysics Data System (ADS)

Schlottmann, P.

1982-04-01

In the preceding paper we transformed the s-d Hamiltonian onto a resonance level with a large perturbation and derived the scaling equations for the vertices, the invariant coupling, and the resonance width. The scaling equations are integrated under the assumption that the energy dependence of the resonance width can be neglected. The transcendental equation obtained in this way for the renormalized resonance width is solved in the relevant limits and allows a calculation of the static and dynamical susceptibility. At high temperatures the perturbation expansion for the relaxation rate and the susceptibility is reproduced up to third order in Jρ. At low temperatures the lifetime and χ0 remain finite and vary according to a Fermi-liquid theory. The approximation scheme interpolates in this way between the asymptotic freedom and the infrared slavery, yielding a smooth crossover. The present results are in quantitative agreement with previous ones obtained with the relaxation-kernel method by Götze and Schlottmann. The advantages and drawbacks of the method are discussed. The calculation of the dynamical susceptibility is extended to nonzero external magnetic fields. The quasielastic peak of χ''(ω)ω is suppressed at low temperatures and large magnetic fields and shoulders develop at ω=+/-B.

Selection and properties of alternative forming fluids for TRISO fuel kernel production

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

Baker, M. P.; King, J. C.; Gorman, B. P.

2013-01-01

Current Very High Temperature Reactor (VHTR) designs incorporate TRi-structural ISOtropic (TRISO) fuel, which consists of a spherical fissile fuel kernel surrounded by layers of pyrolytic carbon and silicon carbide. An internal sol-gel process forms the fuel kernel using wet chemistry to produce uranium oxyhydroxide gel spheres by dropping a cold precursor solution into a hot column of trichloroethylene (TCE). Over time, gelation byproducts inhibit complete gelation, and the TCE must be purified or discarded. The resulting TCE waste stream contains both radioactive and hazardous materials and is thus considered a mixed hazardous waste. Changing the forming fluid to a non-hazardousmore » alternative could greatly improve the economics of TRISO fuel kernel production. Selection criteria for a replacement forming fluid narrowed a list of ~10,800 chemicals to yield ten potential replacement forming fluids: 1-bromododecane, 1- bromotetradecane, 1-bromoundecane, 1-chlorooctadecane, 1-chlorotetradecane, 1-iododecane, 1-iodododecane, 1-iodohexadecane, 1-iodooctadecane, and squalane. The density, viscosity, and surface tension for each potential replacement forming fluid were measured as a function of temperature between 25 °C and 80 °C. Calculated settling velocities and heat transfer rates give an overall column height approximation. 1-bromotetradecane, 1-chlorooctadecane, and 1-iodododecane show the greatest promise as replacements, and future tests will verify their ability to form satisfactory fuel kernels.« less

Selection and properties of alternative forming fluids for TRISO fuel kernel production

NASA Astrophysics Data System (ADS)

Baker, M. P.; King, J. C.; Gorman, B. P.; Marshall, D. W.

2013-01-01

Current Very High Temperature Reactor (VHTR) designs incorporate TRi-structural ISOtropic (TRISO) fuel, which consists of a spherical fissile fuel kernel surrounded by layers of pyrolytic carbon and silicon carbide. An internal sol-gel process forms the fuel kernel using wet chemistry to produce uranium oxyhydroxide gel spheres by dropping a cold precursor solution into a hot column of trichloroethylene (TCE). Over time, gelation byproducts inhibit complete gelation, and the TCE must be purified or discarded. The resulting TCE waste stream contains both radioactive and hazardous materials and is thus considered a mixed hazardous waste. Changing the forming fluid to a non-hazardous alternative could greatly improve the economics of TRISO fuel kernel production. Selection criteria for a replacement forming fluid narrowed a list of ˜10,800 chemicals to yield ten potential replacement forming fluids: 1-bromododecane, 1-bromotetradecane, 1-bromoundecane, 1-chlorooctadecane, 1-chlorotetradecane, 1-iododecane, 1-iodododecane, 1-iodohexadecane, 1-iodooctadecane, and squalane. The density, viscosity, and surface tension for each potential replacement forming fluid were measured as a function of temperature between 25 °C and 80 °C. Calculated settling velocities and heat transfer rates give an overall column height approximation. 1-bromotetradecane, 1-chlorooctadecane, and 1-iodododecane show the greatest promise as replacements, and future tests will verify their ability to form satisfactory fuel kernels.

Kernel reconstruction methods for Doppler broadening — Temperature interpolation by linear combination of reference cross sections at optimally chosen temperatures

DOE PAGES

Ducru, Pablo; Josey, Colin; Dibert, Karia; ...

2017-01-25

This paper establishes a new family of methods to perform temperature interpolation of nuclear interactions cross sections, reaction rates, or cross sections times the energy. One of these quantities at temperature T is approximated as a linear combination of quantities at reference temperatures (T j). The problem is formalized in a cross section independent fashion by considering the kernels of the different operators that convert cross section related quantities from a temperature T 0 to a higher temperature T — namely the Doppler broadening operation. Doppler broadening interpolation of nuclear cross sections is thus here performed by reconstructing the kernelmore » of the operation at a given temperature T by means of linear combination of kernels at reference temperatures (T j). The choice of the L 2 metric yields optimal linear interpolation coefficients in the form of the solutions of a linear algebraic system inversion. The optimization of the choice of reference temperatures (T j) is then undertaken so as to best reconstruct, in the L∞ sense, the kernels over a given temperature range [T min,T max]. The performance of these kernel reconstruction methods is then assessed in light of previous temperature interpolation methods by testing them upon isotope 238U. Temperature-optimized free Doppler kernel reconstruction significantly outperforms all previous interpolation-based methods, achieving 0.1% relative error on temperature interpolation of 238U total cross section over the temperature range [300 K,3000 K] with only 9 reference temperatures.« less

Improved scatter correction using adaptive scatter kernel superposition

NASA Astrophysics Data System (ADS)

Sun, M.; Star-Lack, J. M.

2010-11-01

Accurate scatter correction is required to produce high-quality reconstructions of x-ray cone-beam computed tomography (CBCT) scans. This paper describes new scatter kernel superposition (SKS) algorithms for deconvolving scatter from projection data. The algorithms are designed to improve upon the conventional approach whose accuracy is limited by the use of symmetric kernels that characterize the scatter properties of uniform slabs. To model scatter transport in more realistic objects, nonstationary kernels, whose shapes adapt to local thickness variations in the projection data, are proposed. Two methods are introduced: (1) adaptive scatter kernel superposition (ASKS) requiring spatial domain convolutions and (2) fast adaptive scatter kernel superposition (fASKS) where, through a linearity approximation, convolution is efficiently performed in Fourier space. The conventional SKS algorithm, ASKS, and fASKS, were tested with Monte Carlo simulations and with phantom data acquired on a table-top CBCT system matching the Varian On-Board Imager (OBI). All three models accounted for scatter point-spread broadening due to object thickening, object edge effects, detector scatter properties and an anti-scatter grid. Hounsfield unit (HU) errors in reconstructions of a large pelvis phantom with a measured maximum scatter-to-primary ratio over 200% were reduced from -90 ± 58 HU (mean ± standard deviation) with no scatter correction to 53 ± 82 HU with SKS, to 19 ± 25 HU with fASKS and to 13 ± 21 HU with ASKS. HU accuracies and measured contrast were similarly improved in reconstructions of a body-sized elliptical Catphan phantom. The results show that the adaptive SKS methods offer significant advantages over the conventional scatter deconvolution technique.

Racing to learn: statistical inference and learning in a single spiking neuron with adaptive kernels

PubMed Central

Afshar, Saeed; George, Libin; Tapson, Jonathan; van Schaik, André; Hamilton, Tara J.

2014-01-01

This paper describes the Synapto-dendritic Kernel Adapting Neuron (SKAN), a simple spiking neuron model that performs statistical inference and unsupervised learning of spatiotemporal spike patterns. SKAN is the first proposed neuron model to investigate the effects of dynamic synapto-dendritic kernels and demonstrate their computational power even at the single neuron scale. The rule-set defining the neuron is simple: there are no complex mathematical operations such as normalization, exponentiation or even multiplication. The functionalities of SKAN emerge from the real-time interaction of simple additive and binary processes. Like a biological neuron, SKAN is robust to signal and parameter noise, and can utilize both in its operations. At the network scale neurons are locked in a race with each other with the fastest neuron to spike effectively “hiding” its learnt pattern from its neighbors. The robustness to noise, high speed, and simple building blocks not only make SKAN an interesting neuron model in computational neuroscience, but also make it ideal for implementation in digital and analog neuromorphic systems which is demonstrated through an implementation in a Field Programmable Gate Array (FPGA). Matlab, Python, and Verilog implementations of SKAN are available at: http://www.uws.edu.au/bioelectronics_neuroscience/bens/reproducible_research. PMID:25505378

Appraisal of ALM predictions of turbulent wake features

NASA Astrophysics Data System (ADS)

Rocchio, Benedetto; Cilurzo, Lorenzo; Ciri, Umberto; Salvetti, Maria Vittoria; Leonardi, Stefano

2017-11-01

Wind turbine blades create a turbulent wake that may persist far downstream, with significant implications on wind farm design and on its power production. The numerical representation of the real blade geometry would lead to simulations beyond the present computational resources. We focus our attention on the Actuator Line Model (ALM), in which the blade is replaced by a rotating line divided into finite segments with representative aerodynamic coefficients. The total aerodynamic force is projected along the computational axis and, to avoid numerical instabilities, it is distributed among the nearest grid points by using a Gaussian regularization kernel. The standard deviation of this kernel is a fundamental parameter that strongly affects the characteristics of the wake. We compare here the wake features obtained in direct numerical simulations of the flow around 2D bodies (a flat plate and an airfoil) modeled using the Immersed Boundary Method with the results of simulations in which the body is modeled by ALM. In particular, we investigate whether the ALM is able to reproduce the mean velocity field and the turbulent kinetic energy in the wake for the considered bodies at low and high angles of attack and how this depends on the choice of the ALM kernel. S. Leonardi was supported by the National Science Foundation, Grant No. 1243482 (the WINDINSPIRE project).

Online Pairwise Learning Algorithms.

PubMed

Ying, Yiming; Zhou, Ding-Xuan

2016-04-01

Pairwise learning usually refers to a learning task that involves a loss function depending on pairs of examples, among which the most notable ones are bipartite ranking, metric learning, and AUC maximization. In this letter we study an online algorithm for pairwise learning with a least-square loss function in an unconstrained setting of a reproducing kernel Hilbert space (RKHS) that we refer to as the Online Pairwise lEaRning Algorithm (OPERA). In contrast to existing works (Kar, Sriperumbudur, Jain, & Karnick, 2013 ; Wang, Khardon, Pechyony, & Jones, 2012 ), which require that the iterates are restricted to a bounded domain or the loss function is strongly convex, OPERA is associated with a non-strongly convex objective function and learns the target function in an unconstrained RKHS. Specifically, we establish a general theorem that guarantees the almost sure convergence for the last iterate of OPERA without any assumptions on the underlying distribution. Explicit convergence rates are derived under the condition of polynomially decaying step sizes. We also establish an interesting property for a family of widely used kernels in the setting of pairwise learning and illustrate the convergence results using such kernels. Our methodology mainly depends on the characterization of RKHSs using its associated integral operators and probability inequalities for random variables with values in a Hilbert space.

Racing to learn: statistical inference and learning in a single spiking neuron with adaptive kernels.

PubMed

Afshar, Saeed; George, Libin; Tapson, Jonathan; van Schaik, André; Hamilton, Tara J

2014-01-01

This paper describes the Synapto-dendritic Kernel Adapting Neuron (SKAN), a simple spiking neuron model that performs statistical inference and unsupervised learning of spatiotemporal spike patterns. SKAN is the first proposed neuron model to investigate the effects of dynamic synapto-dendritic kernels and demonstrate their computational power even at the single neuron scale. The rule-set defining the neuron is simple: there are no complex mathematical operations such as normalization, exponentiation or even multiplication. The functionalities of SKAN emerge from the real-time interaction of simple additive and binary processes. Like a biological neuron, SKAN is robust to signal and parameter noise, and can utilize both in its operations. At the network scale neurons are locked in a race with each other with the fastest neuron to spike effectively "hiding" its learnt pattern from its neighbors. The robustness to noise, high speed, and simple building blocks not only make SKAN an interesting neuron model in computational neuroscience, but also make it ideal for implementation in digital and analog neuromorphic systems which is demonstrated through an implementation in a Field Programmable Gate Array (FPGA). Matlab, Python, and Verilog implementations of SKAN are available at: http://www.uws.edu.au/bioelectronics_neuroscience/bens/reproducible_research.

Transactions of the Army Conference on Applied Mathematics and Computing (2nd) Held at Washington, DC on 22-25 May 1984

DTIC Science & Technology

1985-02-01

0 Here Q denotes the midplane of the plate ?assumed to be a Lipschitzian) with a smooth boundary ", and H (Q) and H (Q) are the Hilbert spaces of...using a reproducing kernel Hilbert space approach, Weinert [8,9] et al, developed a structural correspondence between spline interpolation and linear...597 A Mesh Moving Technique for Time Dependent Partial Differential Equations in Two Space Dimensions David C. Arney and Joseph

A Regression Design Approach to Optimal and Robust Spacing Selection.

DTIC Science & Technology

1981-07-01

Hassanein (1968, 1969a, 1969b, 1971, 1972, 1977), Kulldorf (1963), Kulldorf and Vannman (1973), Rhodin (1976), Sarhan and Greenberg (1958, 1962) and...of d0 and Q0 1 d 0 "Q0 ’ are in the reproducing kernel Hilbert space (RKHS) generated by R, the techniques developed by Parzen (1961a, 1961b) may be... Greenberg , B.G. (1958). Estimation problems in the exponential distribution using order statistics. Proceedings of the Statistical Techniques in Missile

Learning a peptide-protein binding affinity predictor with kernel ridge regression

PubMed Central

2013-01-01

Background The cellular function of a vast majority of proteins is performed through physical interactions with other biomolecules, which, most of the time, are other proteins. Peptides represent templates of choice for mimicking a secondary structure in order to modulate protein-protein interaction. They are thus an interesting class of therapeutics since they also display strong activity, high selectivity, low toxicity and few drug-drug interactions. Furthermore, predicting peptides that would bind to a specific MHC alleles would be of tremendous benefit to improve vaccine based therapy and possibly generate antibodies with greater affinity. Modern computational methods have the potential to accelerate and lower the cost of drug and vaccine discovery by selecting potential compounds for testing in silico prior to biological validation. Results We propose a specialized string kernel for small bio-molecules, peptides and pseudo-sequences of binding interfaces. The kernel incorporates physico-chemical properties of amino acids and elegantly generalizes eight kernels, comprised of the Oligo, the Weighted Degree, the Blended Spectrum, and the Radial Basis Function. We provide a low complexity dynamic programming algorithm for the exact computation of the kernel and a linear time algorithm for it’s approximation. Combined with kernel ridge regression and SupCK, a novel binding pocket kernel, the proposed kernel yields biologically relevant and good prediction accuracy on the PepX database. For the first time, a machine learning predictor is capable of predicting the binding affinity of any peptide to any protein with reasonable accuracy. The method was also applied to both single-target and pan-specific Major Histocompatibility Complex class II benchmark datasets and three Quantitative Structure Affinity Model benchmark datasets. Conclusion On all benchmarks, our method significantly (p-value ≤ 0.057) outperforms the current state-of-the-art methods at predicting peptide-protein binding affinities. The proposed approach is flexible and can be applied to predict any quantitative biological activity. Moreover, generating reliable peptide-protein binding affinities will also improve system biology modelling of interaction pathways. Lastly, the method should be of value to a large segment of the research community with the potential to accelerate the discovery of peptide-based drugs and facilitate vaccine development. The proposed kernel is freely available at http://graal.ift.ulaval.ca/downloads/gs-kernel/. PMID:23497081

A Non-Local, Energy-Optimized Kernel: Recovering Second-Order Exchange and Beyond in Extended Systems

NASA Astrophysics Data System (ADS)

Bates, Jefferson; Laricchia, Savio; Ruzsinszky, Adrienn

The Random Phase Approximation (RPA) is quickly becoming a standard method beyond semi-local Density Functional Theory that naturally incorporates weak interactions and eliminates self-interaction error. RPA is not perfect, however, and suffers from self-correlation error as well as an incorrect description of short-ranged correlation typically leading to underbinding. To improve upon RPA we introduce a short-ranged, exchange-like kernel that is one-electron self-correlation free for one and two electron systems in the high-density limit. By tuning the one free parameter in our model to recover an exact limit of the homogeneous electron gas correlation energy we obtain a non-local, energy-optimized kernel that reduces the errors of RPA for both homogeneous and inhomogeneous solids. To reduce the computational cost of the standard kernel-corrected RPA, we also implement RPA renormalized perturbation theory for extended systems, and demonstrate its capability to describe the dominant correlation effects with a low-order expansion in both metallic and non-metallic systems. Furthermore we stress that for norm-conserving implementations the accuracy of RPA and beyond RPA structural properties compared to experiment is inherently limited by the choice of pseudopotential. Current affiliation: King's College London.

Diffuse correlation tomography in the transport regime: A theoretical study of the sensitivity to Brownian motion.

PubMed

Tricoli, Ugo; Macdonald, Callum M; Durduran, Turgut; Da Silva, Anabela; Markel, Vadim A

2018-02-01

Diffuse correlation tomography (DCT) uses the electric-field temporal autocorrelation function to measure the mean-square displacement of light-scattering particles in a turbid medium over a given exposure time. The movement of blood particles is here estimated through a Brownian-motion-like model in contrast to ordered motion as in blood flow. The sensitivity kernel relating the measurable field correlation function to the mean-square displacement of the particles can be derived by applying a perturbative analysis to the correlation transport equation (CTE). We derive an analytical expression for the CTE sensitivity kernel in terms of the Green's function of the radiative transport equation, which describes the propagation of the intensity. We then evaluate the kernel numerically. The simulations demonstrate that, in the transport regime, the sensitivity kernel provides sharper spatial information about the medium as compared with the correlation diffusion approximation. Also, the use of the CTE allows one to explore some additional degrees of freedom in the data such as the collimation direction of sources and detectors. Our results can be used to improve the spatial resolution of DCT, in particular, with applications to blood flow imaging in regions where the Brownian motion is dominant.

Diffuse correlation tomography in the transport regime: A theoretical study of the sensitivity to Brownian motion

NASA Astrophysics Data System (ADS)

Tricoli, Ugo; Macdonald, Callum M.; Durduran, Turgut; Da Silva, Anabela; Markel, Vadim A.

2018-02-01

Diffuse correlation tomography (DCT) uses the electric-field temporal autocorrelation function to measure the mean-square displacement of light-scattering particles in a turbid medium over a given exposure time. The movement of blood particles is here estimated through a Brownian-motion-like model in contrast to ordered motion as in blood flow. The sensitivity kernel relating the measurable field correlation function to the mean-square displacement of the particles can be derived by applying a perturbative analysis to the correlation transport equation (CTE). We derive an analytical expression for the CTE sensitivity kernel in terms of the Green's function of the radiative transport equation, which describes the propagation of the intensity. We then evaluate the kernel numerically. The simulations demonstrate that, in the transport regime, the sensitivity kernel provides sharper spatial information about the medium as compared with the correlation diffusion approximation. Also, the use of the CTE allows one to explore some additional degrees of freedom in the data such as the collimation direction of sources and detectors. Our results can be used to improve the spatial resolution of DCT, in particular, with applications to blood flow imaging in regions where the Brownian motion is dominant.

Frozen Gaussian approximation for 3D seismic tomography

NASA Astrophysics Data System (ADS)

Chai, Lihui; Tong, Ping; Yang, Xu

2018-05-01

Three-dimensional (3D) wave-equation-based seismic tomography is computationally challenging in large scales and high-frequency regime. In this paper, we apply the frozen Gaussian approximation (FGA) method to compute 3D sensitivity kernels and seismic tomography of high-frequency. Rather than standard ray theory used in seismic inversion (e.g. Kirchhoff migration and Gaussian beam migration), FGA is used to compute the 3D high-frequency sensitivity kernels for travel-time or full waveform inversions. Specifically, we reformulate the equations of the forward and adjoint wavefields for the purpose of convenience to apply FGA, and with this reformulation, one can efficiently compute the Green’s functions whose convolutions with source time function produce wavefields needed for the construction of 3D kernels. Moreover, a fast summation method is proposed based on local fast Fourier transform which greatly improves the speed of reconstruction as the last step of FGA algorithm. We apply FGA to both the travel-time adjoint tomography and full waveform inversion (FWI) on synthetic crosswell seismic data with dominant frequencies as high as those of real crosswell data, and confirm again that FWI requires a more sophisticated initial velocity model for the convergence than travel-time adjoint tomography. We also numerically test the accuracy of applying FGA to local earthquake tomography. This study paves the way to directly apply wave-equation-based seismic tomography methods into real data around their dominant frequencies.

A Modeling and Data Analysis of Laser Beam Propagation in the Maritime Domain

DTIC Science & Technology

2015-05-18

approach to computing pdfs is the Kernel Density Method (Reference [9] has an intro - duction to the method), which we will apply to compute the pdf of our...The project has two parts to it: 1) we present a computational analysis of different probability density function approximation techniques; and 2) we... computational analysis of different probability density function approximation techniques; and 2) we introduce preliminary steps towards developing a

Electron Microscopic Examination of Irradiated TRISO Coated Particles of Compact 6-3-2 of AGR-1 Experiment

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

Van Rooyen, Isabella Johanna; Demkowicz, Paul Andrew; Riesterer, Jessica Lori

2012-12-01

The electron microscopic examination of selected irradiated TRISO coated particles of the AGR-1 experiment of fuel compact 6-3-2 are presented in this report. Compact 6-3-2 refers to the compact in Capsule 6 at level 3 of Stack 2. The fuel used in capsule 6 compacts, are called the “baseline” fuel as it is fabricated with refined coating process conditions used to fabricate historic German fuel, because of its excellent irradiation performance with UO2 kernels. The AGR-1 fuel is however made of low-enriched uranium oxycarbide (UCO). Kernel diameters are approximately 350 µm with a U-235 enrichment of approximately 19.7%. Compact 6-3-2more » has been irradiated to 11.3% FIMA compact average burn-up with a time average, volume average temperature of 1070.2°C and with a compact average fast fluence of 2.38E21 n/cm« less

Electron Microscopic Examination of Irradiated TRISO Coated Particles of Compact 6-3-2 of AGR-1 Experiment

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

Van Rooyen, Isabella Johanna; Demkowicz, Paul Andrew; Riesterer, Jessica Lori

2012-12-01

The electron microscopic examination of selected irradiated TRISO coated particles of the AGR-1 experiment of fuel compact 6-3-2 are presented in this report. Compact 6-3-2 refers to the compact in Capsule 6 at level 3 of Stack 2. The fuel used in capsule 6 compacts, are called the “baseline” fuel as it is fabricated with refined coating process conditions used to fabricate historic German fuel, because of its excellent irradiation performance with UO 2 kernels. The AGR-1 fuel is however made of low-enriched uranium oxycarbide (UCO). Kernel diameters are approximately 350 µm with a U-235 enrichment of approximately 19.7%. Compactmore » 6-3-2 has been irradiated to 11.3% FIMA compact average burn-up with a time average, volume average temperature of 1070.2°C and with a compact average fast fluence of 2.38E21 n/cm« less

On the convergence of local approximations to pseudodifferential operators with applications

NASA Technical Reports Server (NTRS)

Hagstrom, Thomas

1994-01-01

We consider the approximation of a class pseudodifferential operators by sequences of operators which can be expressed as compositions of differential operators and their inverses. We show that the error in such approximations can be bounded in terms of L(1) error in approximating a convolution kernel, and use this fact to develop convergence results. Our main result is a finite time convergence analysis of the Engquist-Majda Pade approximants to the square root of the d'Alembertian. We also show that no spatially local approximation to this operator can be convergent uniformly in time. We propose some temporally local but spatially nonlocal operators with better long time behavior. These are based on Laguerre and exponential series.

New approximate orientation averaging of the water molecule interacting with the thermal neutron

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

Markovic, M.I.; Minic, D.M.; Rakic, A.D.

1992-02-01

This paper reports that exactly describing the time of thermal neutron collisions with water molecules, orientation averaging is performed by an exact method (EOA{sub k}) and four approximate methods (two well known and two less known). Expressions for the microscopic scattering kernel are developed. The two well-known approximate orientation averaging methods are Krieger-Nelkin (K-N) and Koppel-Young (K-Y). The results obtained by one of the two proposed approximate orientation averaging methods agree best with the corresponding results obtained by EOA{sub k}. The largest discrepancies between the EOA{sub k} results and the results of the approximate methods are obtained using the well-knowmore » K-N approximate orientation averaging method.« less

A Fast Multiple-Kernel Method With Applications to Detect Gene-Environment Interaction.

PubMed

Marceau, Rachel; Lu, Wenbin; Holloway, Shannon; Sale, Michèle M; Worrall, Bradford B; Williams, Stephen R; Hsu, Fang-Chi; Tzeng, Jung-Ying

2015-09-01

Kernel machine (KM) models are a powerful tool for exploring associations between sets of genetic variants and complex traits. Although most KM methods use a single kernel function to assess the marginal effect of a variable set, KM analyses involving multiple kernels have become increasingly popular. Multikernel analysis allows researchers to study more complex problems, such as assessing gene-gene or gene-environment interactions, incorporating variance-component based methods for population substructure into rare-variant association testing, and assessing the conditional effects of a variable set adjusting for other variable sets. The KM framework is robust, powerful, and provides efficient dimension reduction for multifactor analyses, but requires the estimation of high dimensional nuisance parameters. Traditional estimation techniques, including regularization and the "expectation-maximization (EM)" algorithm, have a large computational cost and are not scalable to large sample sizes needed for rare variant analysis. Therefore, under the context of gene-environment interaction, we propose a computationally efficient and statistically rigorous "fastKM" algorithm for multikernel analysis that is based on a low-rank approximation to the nuisance effect kernel matrices. Our algorithm is applicable to various trait types (e.g., continuous, binary, and survival traits) and can be implemented using any existing single-kernel analysis software. Through extensive simulation studies, we show that our algorithm has similar performance to an EM-based KM approach for quantitative traits while running much faster. We also apply our method to the Vitamin Intervention for Stroke Prevention (VISP) clinical trial, examining gene-by-vitamin effects on recurrent stroke risk and gene-by-age effects on change in homocysteine level. © 2015 WILEY PERIODICALS, INC.

A Frequency-Domain Implementation of a Sliding-Window Traffic Sign Detector for Large Scale Panoramic Datasets

NASA Astrophysics Data System (ADS)

Creusen, I. M.; Hazelhoff, L.; De With, P. H. N.

2013-10-01

In large-scale automatic traffic sign surveying systems, the primary computational effort is concentrated at the traffic sign detection stage. This paper focuses on reducing the computational load of particularly the sliding window object detection algorithm which is employed for traffic sign detection. Sliding-window object detectors often use a linear SVM to classify the features in a window. In this case, the classification can be seen as a convolution of the feature maps with the SVM kernel. It is well known that convolution can be efficiently implemented in the frequency domain, for kernels larger than a certain size. We show that by careful reordering of sliding-window operations, most of the frequency-domain transformations can be eliminated, leading to a substantial increase in efficiency. Additionally, we suggest to use the overlap-add method to keep the memory use within reasonable bounds. This allows us to keep all the transformed kernels in memory, thereby eliminating even more domain transformations, and allows all scales in a multiscale pyramid to be processed using the same set of transformed kernels. For a typical sliding-window implementation, we have found that the detector execution performance improves with a factor of 5.3. As a bonus, many of the detector improvements from literature, e.g. chi-squared kernel approximations, sub-class splitting algorithms etc., can be more easily applied at a lower performance penalty because of an improved scalability.

Nonlocal kinetic energy functional from the jellium-with-gap model: Applications to orbital-free density functional theory

NASA Astrophysics Data System (ADS)

Constantin, Lucian A.; Fabiano, Eduardo; Della Sala, Fabio

2018-05-01

Orbital-free density functional theory (OF-DFT) promises to describe the electronic structure of very large quantum systems, being its computational cost linear with the system size. However, the OF-DFT accuracy strongly depends on the approximation made for the kinetic energy (KE) functional. To date, the most accurate KE functionals are nonlocal functionals based on the linear-response kernel of the homogeneous electron gas, i.e., the jellium model. Here, we use the linear-response kernel of the jellium-with-gap model to construct a simple nonlocal KE functional (named KGAP) which depends on the band-gap energy. In the limit of vanishing energy gap (i.e., in the case of metals), the KGAP is equivalent to the Smargiassi-Madden (SM) functional, which is accurate for metals. For a series of semiconductors (with different energy gaps), the KGAP performs much better than SM, and results are close to the state-of-the-art functionals with sophisticated density-dependent kernels.

Lyman continuum observations of solar flares

NASA Technical Reports Server (NTRS)

Machado, M. E.; Noyes, R. W.

1978-01-01

A study is made of Lyman continuum observations of solar flares, using data obtained by the EUV spectroheliometer on the Apollo Telescope Mount. It is found that there are two main types of flare regions: an overall 'mean' flare coincident with the H-alpha flare region, and transient Lyman continuum kernels which can be identified with the H-alpha and X-ray kernels observed by other authors. It is found that the ground level hydrogen population in flares is closer to LTE than in the quiet sun and active regions, and that the level of Lyman continuum formation is lowered in the atmosphere from a mass column density .000005 g/sq cm in the quiet sun to .0003 g/sq cm in the mean flare, and to .001 g/sq cm in kernels. From these results the amount of chromospheric material 'evaporated' into the high temperature region is derived, which is found to be approximately 10 to the 15th g, in agreement with observations of X-ray emission measures.

Automatic sleep staging using multi-dimensional feature extraction and multi-kernel fuzzy support vector machine.

PubMed

Zhang, Yanjun; Zhang, Xiangmin; Liu, Wenhui; Luo, Yuxi; Yu, Enjia; Zou, Keju; Liu, Xiaoliang

2014-01-01

This paper employed the clinical Polysomnographic (PSG) data, mainly including all-night Electroencephalogram (EEG), Electrooculogram (EOG) and Electromyogram (EMG) signals of subjects, and adopted the American Academy of Sleep Medicine (AASM) clinical staging manual as standards to realize automatic sleep staging. Authors extracted eighteen different features of EEG, EOG and EMG in time domains and frequency domains to construct the vectors according to the existing literatures as well as clinical experience. By adopting sleep samples self-learning, the linear combination of weights and parameters of multiple kernels of the fuzzy support vector machine (FSVM) were learned and the multi-kernel FSVM (MK-FSVM) was constructed. The overall agreement between the experts' scores and the results presented was 82.53%. Compared with previous results, the accuracy of N1 was improved to some extent while the accuracies of other stages were approximate, which well reflected the sleep structure. The staging algorithm proposed in this paper is transparent, and worth further investigation.

Kernel-Based Approximate Dynamic Programming Using Bellman Residual Elimination

DTIC Science & Technology

2010-02-01

framework is the ability to utilize stochastic system models, thereby allowing the system to make sound decisions even if there is randomness in the system ...approximate policy when a system model is unavailable. We present theoretical analysis of all BRE algorithms proving convergence to the optimal policy in...policies based on MDPs is that there may be parameters of the system model that are poorly known and/or vary with time as the system operates. System

Computational investigation of intense short-wavelength laser interaction with rare gas clusters

NASA Astrophysics Data System (ADS)

Bigaouette, Nicolas

Current Very High Temperature Reactor designs incorporate TRi-structural ISOtropic (TRISO) particle fuel, which consists of a spherical fissile fuel kernel surrounded by layers of pyrolytic carbon and silicon carbide. An internal sol-gel process forms the fuel kernel by dropping a cold precursor solution into a column of hot trichloroethylene (TCE). The temperature difference drives the liquid precursor solution to precipitate the metal solution into gel spheres before reaching the bottom of a production column. Over time, gelation byproducts inhibit complete gelation and the TCE must be purified or discarded. The resulting mixed-waste stream is expensive to dispose of or recycle, and changing the forming fluid to a non-hazardous alternative could greatly improve the economics of kernel production. Selection criteria for a replacement forming fluid narrowed a list of ~10,800 chemicals to yield ten potential replacements. The physical properties of the alternatives were measured as a function of temperature between 25 °C and 80 °C. Calculated terminal velocities and heat transfer rates provided an overall column height approximation. 1-bromotetradecane, 1-chlorooctadecane, and 1-iodododecane were selected for further testing, and surrogate yttria-stabilized zirconia (YSZ) kernels were produced using these selected fluids. The kernels were characterized for density, geometry, composition, and crystallinity and compared to a control group of kernels produced in silicone oil. Production in 1-bromotetradecane showed positive results, producing dense (93.8 %TD) and spherical (1.03 aspect ratio) kernels, but proper gelation did not occur in the other alternative forming fluids. With many of the YSZ kernels not properly gelling within the length of the column, this project further investigated the heat transfer properties of the forming fluids and precursor solution. A sensitivity study revealed that the heat transfer properties of the precursor solution have the strongest impact on gelation time. A COMSOL heat transfer model estimated an effective thermal diffusivity range for the YSZ precursor solution as 1.13x10 -8 m2/s to 3.35x10-8 m 2/s, which is an order of magnitude smaller than the value used in previous studies. 1-bromotetradecane is recommended for further investigation with the production of uranium-based kernels.

Optimal approximation of harmonic growth clusters by orthogonal polynomials

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

Teodorescu, Razvan

2008-01-01

Interface dynamics in two-dimensional systems with a maximal number of conservation laws gives an accurate theoreticaI model for many physical processes, from the hydrodynamics of immiscible, viscous flows (zero surface-tension limit of Hele-Shaw flows), to the granular dynamics of hard spheres, and even diffusion-limited aggregation. Although a complete solution for the continuum case exists, efficient approximations of the boundary evolution are very useful due to their practical applications. In this article, the approximation scheme based on orthogonal polynomials with a deformed Gaussian kernel is discussed, as well as relations to potential theory.

The role of Tre6P and SnRK1 in maize early kernel development and events leading to stress-induced kernel abortion.

PubMed

Bledsoe, Samuel W; Henry, Clémence; Griffiths, Cara A; Paul, Matthew J; Feil, Regina; Lunn, John E; Stitt, Mark; Lagrimini, L Mark

2017-04-12

Drought stress during flowering is a major contributor to yield loss in maize. Genetic and biotechnological improvement in yield sustainability requires an understanding of the mechanisms underpinning yield loss. Sucrose starvation has been proposed as the cause for kernel abortion; however, potential targets for genetic improvement have not been identified. Field and greenhouse drought studies with maize are expensive and it can be difficult to reproduce results; therefore, an in vitro kernel culture method is presented as a proxy for drought stress occurring at the time of flowering in maize (3 days after pollination). This method is used to focus on the effects of drought on kernel metabolism, and the role of trehalose 6-phosphate (Tre6P) and the sucrose non-fermenting-1-related kinase (SnRK1) as potential regulators of this response. A precipitous drop in Tre6P is observed during the first two hours after removing the kernels from the plant, and the resulting changes in transcript abundance are indicative of an activation of SnRK1, and an immediate shift from anabolism to catabolism. Once Tre6P levels are depleted to below 1 nmol∙g -1 FW in the kernel, SnRK1 remained active throughout the 96 h experiment, regardless of the presence or absence of sucrose in the medium. Recovery on sucrose enriched medium results in the restoration of sucrose synthesis and glycolysis. Biosynthetic processes including the citric acid cycle and protein and starch synthesis are inhibited by excision, and do not recover even after the re-addition of sucrose. It is also observed that excision induces the transcription of the sugar transporters SUT1 and SWEET1, the sucrose hydrolyzing enzymes CELL WALL INVERTASE 2 (INCW2) and SUCROSE SYNTHASE 1 (SUSY1), the class II TREHALOSE PHOSPHATE SYNTHASES (TPS), TREHALASE (TRE), and TREHALOSE PHOSPHATE PHOSPHATASE (ZmTPPA.3), previously shown to enhance drought tolerance (Nuccio et al., Nat Biotechnol (October 2014):1-13, 2015). The impact of kernel excision from the ear triggers a cascade of events starting with the precipitous drop in Tre6P levels. It is proposed that the removal of Tre6P suppression of SnRK1 activity results in transcription of putative SnRK1 target genes, and the metabolic transition from biosynthesis to catabolism. This highlights the importance of Tre6P in the metabolic response to starvation. We also present evidence that sugars can mediate the activation of SnRK1. The precipitous drop in Tre6P corresponds to a large increase in transcription of ZmTPPA.3, indicating that this specific enzyme may be responsible for the de-phosphorylation of Tre6P. The high levels of Tre6P in the immature embryo are likely important for preventing kernel abortion.

Modeling RF Fields in Hot Plasmas with Parallel Full Wave Code

NASA Astrophysics Data System (ADS)

Spencer, Andrew; Svidzinski, Vladimir; Zhao, Liangji; Galkin, Sergei; Kim, Jin-Soo

2016-10-01

FAR-TECH, Inc. is developing a suite of full wave RF plasma codes. It is based on a meshless formulation in configuration space with adapted cloud of computational points (CCP) capability and using the hot plasma conductivity kernel to model the nonlocal plasma dielectric response. The conductivity kernel is calculated by numerically integrating the linearized Vlasov equation along unperturbed particle trajectories. Work has been done on the following calculations: 1) the conductivity kernel in hot plasmas, 2) a monitor function based on analytic solutions of the cold-plasma dispersion relation, 3) an adaptive CCP based on the monitor function, 4) stencils to approximate the wave equations on the CCP, 5) the solution to the full wave equations in the cold-plasma model in tokamak geometry for ECRH and ICRH range of frequencies, and 6) the solution to the wave equations using the calculated hot plasma conductivity kernel. We will present results on using a meshless formulation on adaptive CCP to solve the wave equations and on implementing the non-local hot plasma dielectric response to the wave equations. The presentation will include numerical results of wave propagation and absorption in the cold and hot tokamak plasma RF models, using DIII-D geometry and plasma parameters. Work is supported by the U.S. DOE SBIR program.

Speeding Up the Bilateral Filter: A Joint Acceleration Way.

PubMed

Dai, Longquan; Yuan, Mengke; Zhang, Xiaopeng

2016-06-01

Computational complexity of the brute-force implementation of the bilateral filter (BF) depends on its filter kernel size. To achieve the constant-time BF whose complexity is irrelevant to the kernel size, many techniques have been proposed, such as 2D box filtering, dimension promotion, and shiftability property. Although each of the above techniques suffers from accuracy and efficiency problems, previous algorithm designers were used to take only one of them to assemble fast implementations due to the hardness of combining them together. Hence, no joint exploitation of these techniques has been proposed to construct a new cutting edge implementation that solves these problems. Jointly employing five techniques: kernel truncation, best N-term approximation as well as previous 2D box filtering, dimension promotion, and shiftability property, we propose a unified framework to transform BF with arbitrary spatial and range kernels into a set of 3D box filters that can be computed in linear time. To the best of our knowledge, our algorithm is the first method that can integrate all these acceleration techniques and, therefore, can draw upon one another's strong point to overcome deficiencies. The strength of our method has been corroborated by several carefully designed experiments. In particular, the filtering accuracy is significantly improved without sacrificing the efficiency at running time.

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock.

PubMed

Hesselmann, Andreas; Görling, Andreas

2011-01-21

A recently introduced time-dependent exact-exchange (TDEXX) method, i.e., a response method based on time-dependent density-functional theory that treats the frequency-dependent exchange kernel exactly, is reformulated. In the reformulated version of the TDEXX method electronic excitation energies can be calculated by solving a linear generalized eigenvalue problem while in the original version of the TDEXX method a laborious frequency iteration is required in the calculation of each excitation energy. The lowest eigenvalues of the new TDEXX eigenvalue equation corresponding to the lowest excitation energies can be efficiently obtained by, e.g., a version of the Davidson algorithm appropriate for generalized eigenvalue problems. Alternatively, with the help of a series expansion of the new TDEXX eigenvalue equation, standard eigensolvers for large regular eigenvalue problems, e.g., the standard Davidson algorithm, can be used to efficiently calculate the lowest excitation energies. With the help of the series expansion as well, the relation between the TDEXX method and time-dependent Hartree-Fock is analyzed. Several ways to take into account correlation in addition to the exact treatment of exchange in the TDEXX method are discussed, e.g., a scaling of the Kohn-Sham eigenvalues, the inclusion of (semi)local approximate correlation potentials, or hybrids of the exact-exchange kernel with kernels within the adiabatic local density approximation. The lowest lying excitations of the molecules ethylene, acetaldehyde, and pyridine are considered as examples.

A new approach to approximating the linear quadratic optimal control law for hereditary systems with control delays

NASA Technical Reports Server (NTRS)

Milman, M. H.

1985-01-01

A factorization approach is presented for deriving approximations to the optimal feedback gain for the linear regulator-quadratic cost problem associated with time-varying functional differential equations with control delays. The approach is based on a discretization of the state penalty which leads to a simple structure for the feedback control law. General properties of the Volterra factors of Hilbert-Schmidt operators are then used to obtain convergence results for the feedback kernels.

Partial differential equation techniques for analysing animal movement: A comparison of different methods.

PubMed

Wang, Yi-Shan; Potts, Jonathan R

2017-03-07

Recent advances in animal tracking have allowed us to uncover the drivers of movement in unprecedented detail. This has enabled modellers to construct ever more realistic models of animal movement, which aid in uncovering detailed patterns of space use in animal populations. Partial differential equations (PDEs) provide a popular tool for mathematically analysing such models. However, their construction often relies on simplifying assumptions which may greatly affect the model outcomes. Here, we analyse the effect of various PDE approximations on the analysis of some simple movement models, including a biased random walk, central-place foraging processes and movement in heterogeneous landscapes. Perhaps the most commonly-used PDE method dates back to a seminal paper of Patlak from 1953. However, our results show that this can be a very poor approximation in even quite simple models. On the other hand, more recent methods, based on transport equation formalisms, can provide more accurate results, as long as the kernel describing the animal's movement is sufficiently smooth. When the movement kernel is not smooth, we show that both the older and newer methods can lead to quantitatively misleading results. Our detailed analysis will aid future researchers in the appropriate choice of PDE approximation for analysing models of animal movement. Copyright © 2017 Elsevier Ltd. All rights reserved.

Fast Query-Optimized Kernel-Machine Classification

NASA Technical Reports Server (NTRS)

Mazzoni, Dominic; DeCoste, Dennis

2004-01-01

A recently developed algorithm performs kernel-machine classification via incremental approximate nearest support vectors. The algorithm implements support-vector machines (SVMs) at speeds 10 to 100 times those attainable by use of conventional SVM algorithms. The algorithm offers potential benefits for classification of images, recognition of speech, recognition of handwriting, and diverse other applications in which there are requirements to discern patterns in large sets of data. SVMs constitute a subset of kernel machines (KMs), which have become popular as models for machine learning and, more specifically, for automated classification of input data on the basis of labeled training data. While similar in many ways to k-nearest-neighbors (k-NN) models and artificial neural networks (ANNs), SVMs tend to be more accurate. Using representations that scale only linearly in the numbers of training examples, while exploring nonlinear (kernelized) feature spaces that are exponentially larger than the original input dimensionality, KMs elegantly and practically overcome the classic curse of dimensionality. However, the price that one must pay for the power of KMs is that query-time complexity scales linearly with the number of training examples, making KMs often orders of magnitude more computationally expensive than are ANNs, decision trees, and other popular machine learning alternatives. The present algorithm treats an SVM classifier as a special form of a k-NN. The algorithm is based partly on an empirical observation that one can often achieve the same classification as that of an exact KM by using only small fraction of the nearest support vectors (SVs) of a query. The exact KM output is a weighted sum over the kernel values between the query and the SVs. In this algorithm, the KM output is approximated with a k-NN classifier, the output of which is a weighted sum only over the kernel values involving k selected SVs. Before query time, there are gathered statistics about how misleading the output of the k-NN model can be, relative to the outputs of the exact KM for a representative set of examples, for each possible k from 1 to the total number of SVs. From these statistics, there are derived upper and lower thresholds for each step k. These thresholds identify output levels for which the particular variant of the k-NN model already leans so strongly positively or negatively that a reversal in sign is unlikely, given the weaker SV neighbors still remaining. At query time, the partial output of each query is incrementally updated, stopping as soon as it exceeds the predetermined statistical thresholds of the current step. For an easy query, stopping can occur as early as step k = 1. For more difficult queries, stopping might not occur until nearly all SVs are touched. A key empirical observation is that this approach can tolerate very approximate nearest-neighbor orderings. In experiments, SVs and queries were projected to a subspace comprising the top few principal- component dimensions and neighbor orderings were computed in that subspace. This approach ensured that the overhead of the nearest-neighbor computations was insignificant, relative to that of the exact KM computation.

Effects of Cerium and Titanium Oxide Nanoparticles in Soil on the Nutrient Composition of Barley (Hordeum vulgare L.) Kernels

PubMed Central

Pošćić, Filip; Mattiello, Alessandro; Fellet, Guido; Miceli, Fabiano; Marchiol, Luca

2016-01-01

The implications of metal nanoparticles (MeNPs) are still unknown for many food crops. The purpose of this study was to evaluate the effects of cerium oxide (nCeO2) and titanium oxide (nTiO2) nanoparticles in soil at 0, 500 and 1000 mg·kg−1 on the nutritional parameters of barley (Hordeum vulgare L.) kernels. Mineral nutrients, amylose, β-glucans, amino acid and crude protein (CP) concentrations were measured in kernels. Whole flour samples were analyzed by ICP-AES/MS, HPLC and Elemental CHNS Analyzer. Results showed that Ce and Ti accumulation under MeNPs treatments did not differ from the control treatment. However, nCeO2 and nTiO2 had an impact on composition and nutritional quality of barley kernels in contrasting ways. Both MeNPs left β-glucans unaffected but reduced amylose content by approximately 21%. Most amino acids and CP increased. Among amino acids, lysine followed by proline saw the largest increase (51% and 37%, respectively). Potassium and S were both negatively impacted by MeNPs, while B was only affected by 500 mg nCeO2·kg−1. On the contrary Zn and Mn concentrations were improved by 500 mg nTiO2·kg−1, and Ca by both nTiO2 treatments. Generally, our findings demonstrated that kernels are negatively affected by nCeO2 while nTiO2 can potentially have beneficial effects. However, both MeNPs have the potential to negatively impact malt and feed production. PMID:27294945

Adaptive multiregression in reproducing kernel Hilbert spaces: the multiaccess MIMO channel case.

PubMed

Slavakis, Konstantinos; Bouboulis, Pantelis; Theodoridis, Sergios

2012-02-01

This paper introduces a wide framework for online, i.e., time-adaptive, supervised multiregression tasks. The problem is formulated in a general infinite-dimensional reproducing kernel Hilbert space (RKHS). In this context, a fairly large number of nonlinear multiregression models fall as special cases, including the linear case. Any convex, continuous, and not necessarily differentiable function can be used as a loss function in order to quantify the disagreement between the output of the system and the desired response. The only requirement is the subgradient of the adopted loss function to be available in an analytic form. To this end, we demonstrate a way to calculate the subgradients of robust loss functions, suitable for the multiregression task. As it is by now well documented, when dealing with online schemes in RKHS, the memory keeps increasing with each iteration step. To attack this problem, a simple sparsification strategy is utilized, which leads to an algorithmic scheme of linear complexity with respect to the number of unknown parameters. A convergence analysis of the technique, based on arguments of convex analysis, is also provided. To demonstrate the capacity of the proposed method, the multiregressor is applied to the multiaccess multiple-input multiple-output channel equalization task for a setting with poor resources and nonavailable channel information. Numerical results verify the potential of the method, when its performance is compared with those of the state-of-the-art linear techniques, which, in contrast, use space-time coding, more antenna elements, as well as full channel information.

Three-dimensional Fréchet sensitivity kernels for electromagnetic wave propagation

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

Strickland, C. E.; Johnson, T. C.; Odom, R. I.

2015-08-28

Electromagnetic imaging methods are useful tools for monitoring subsurface changes in pore-fluid content and the associated changes in electrical permittivity and conductivity. The most common method for georadar tomography uses a high frequency ray-theoretic approximation that is valid when material variations are sufficiently small relative to the wavelength of the propagating wave. Georadar methods, however, often utilize electromagnetic waves that propagate within heterogeneous media at frequencies where ray theory may not be applicable. In this paper we describe the 3-D Fréchet sensitivity kernels for EM wave propagation. Various data functional types are formulated that consider all three components of themore » electric wavefield and incorporate near-, intermediate-, and far-field contributions. We show that EM waves exhibit substantial variations for different relative source-receiver component orientations. The 3-D sensitivities also illustrate out-of-plane effects that are not captured in 2-D sensitivity kernels and can influence results obtained using 2-D inversion methods to image structures that are in reality 3-D.« less

Fast metabolite identification with Input Output Kernel Regression.

PubMed

Brouard, Céline; Shen, Huibin; Dührkop, Kai; d'Alché-Buc, Florence; Böcker, Sebastian; Rousu, Juho

2016-06-15

An important problematic of metabolomics is to identify metabolites using tandem mass spectrometry data. Machine learning methods have been proposed recently to solve this problem by predicting molecular fingerprint vectors and matching these fingerprints against existing molecular structure databases. In this work we propose to address the metabolite identification problem using a structured output prediction approach. This type of approach is not limited to vector output space and can handle structured output space such as the molecule space. We use the Input Output Kernel Regression method to learn the mapping between tandem mass spectra and molecular structures. The principle of this method is to encode the similarities in the input (spectra) space and the similarities in the output (molecule) space using two kernel functions. This method approximates the spectra-molecule mapping in two phases. The first phase corresponds to a regression problem from the input space to the feature space associated to the output kernel. The second phase is a preimage problem, consisting in mapping back the predicted output feature vectors to the molecule space. We show that our approach achieves state-of-the-art accuracy in metabolite identification. Moreover, our method has the advantage of decreasing the running times for the training step and the test step by several orders of magnitude over the preceding methods. celine.brouard@aalto.fi Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press.

Rapid scatter estimation for CBCT using the Boltzmann transport equation

NASA Astrophysics Data System (ADS)

Sun, Mingshan; Maslowski, Alex; Davis, Ian; Wareing, Todd; Failla, Gregory; Star-Lack, Josh

2014-03-01

Scatter in cone-beam computed tomography (CBCT) is a significant problem that degrades image contrast, uniformity and CT number accuracy. One means of estimating and correcting for detected scatter is through an iterative deconvolution process known as scatter kernel superposition (SKS). While the SKS approach is efficient, clinically significant errors on the order 2-4% (20-40 HU) still remain. We have previously shown that the kernel method can be improved by perturbing the kernel parameters based on reference data provided by limited Monte Carlo simulations of a first-pass reconstruction. In this work, we replace the Monte Carlo modeling with a deterministic Boltzmann solver (AcurosCTS) to generate the reference scatter data in a dramatically reduced time. In addition, the algorithm is improved so that instead of adjusting kernel parameters, we directly perturb the SKS scatter estimates. Studies were conducted on simulated data and on a large pelvis phantom scanned on a tabletop system. The new method reduced average reconstruction errors (relative to a reference scan) from 2.5% to 1.8%, and significantly improved visualization of low contrast objects. In total, 24 projections were simulated with an AcurosCTS execution time of 22 sec/projection using an 8-core computer. We have ported AcurosCTS to the GPU, and current run-times are approximately 4 sec/projection using two GPU's running in parallel.

Predicting receptor-ligand pairs through kernel learning

PubMed Central

2011-01-01

Background Regulation of cellular events is, often, initiated via extracellular signaling. Extracellular signaling occurs when a circulating ligand interacts with one or more membrane-bound receptors. Identification of receptor-ligand pairs is thus an important and specific form of PPI prediction. Results Given a set of disparate data sources (expression data, domain content, and phylogenetic profile) we seek to predict new receptor-ligand pairs. We create a combined kernel classifier and assess its performance with respect to the Database of Ligand-Receptor Partners (DLRP) 'golden standard' as well as the method proposed by Gertz et al. Among our findings, we discover that our predictions for the tgfβ family accurately reconstruct over 76% of the supported edges (0.76 recall and 0.67 precision) of the receptor-ligand bipartite graph defined by the DLRP "golden standard". In addition, for the tgfβ family, the combined kernel classifier is able to relatively improve upon the Gertz et al. work by a factor of approximately 1.5 when considering that our method has an F-measure of 0.71 while that of Gertz et al. has a value of 0.48. Conclusions The prediction of receptor-ligand pairings is a difficult and complex task. We have demonstrated that using kernel learning on multiple data sources provides a stronger alternative to the existing method in solving this task. PMID:21834994

Fast metabolite identification with Input Output Kernel Regression

PubMed Central

Brouard, Céline; Shen, Huibin; Dührkop, Kai; d'Alché-Buc, Florence; Böcker, Sebastian; Rousu, Juho

2016-01-01

Motivation: An important problematic of metabolomics is to identify metabolites using tandem mass spectrometry data. Machine learning methods have been proposed recently to solve this problem by predicting molecular fingerprint vectors and matching these fingerprints against existing molecular structure databases. In this work we propose to address the metabolite identification problem using a structured output prediction approach. This type of approach is not limited to vector output space and can handle structured output space such as the molecule space. Results: We use the Input Output Kernel Regression method to learn the mapping between tandem mass spectra and molecular structures. The principle of this method is to encode the similarities in the input (spectra) space and the similarities in the output (molecule) space using two kernel functions. This method approximates the spectra-molecule mapping in two phases. The first phase corresponds to a regression problem from the input space to the feature space associated to the output kernel. The second phase is a preimage problem, consisting in mapping back the predicted output feature vectors to the molecule space. We show that our approach achieves state-of-the-art accuracy in metabolite identification. Moreover, our method has the advantage of decreasing the running times for the training step and the test step by several orders of magnitude over the preceding methods. Availability and implementation: Contact: celine.brouard@aalto.fi Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27307628

Evolution of phenotypic clusters through competition and local adaptation along an environmental gradient.

PubMed

Leimar, Olof; Doebeli, Michael; Dieckmann, Ulf

2008-04-01

We have analyzed the evolution of a quantitative trait in populations that are spatially extended along an environmental gradient, with gene flow between nearby locations. In the absence of competition, there is stabilizing selection toward a locally best-adapted trait that changes gradually along the gradient. According to traditional ideas, gradual spatial variation in environmental conditions is expected to lead to gradual variation in the evolved trait. A contrasting possibility is that the trait distribution instead breaks up into discrete clusters. Doebeli and Dieckmann (2003) argued that competition acting locally in trait space and geographical space can promote such clustering. We have investigated this possibility using deterministic population dynamics for asexual populations, analyzing our model numerically and through an analytical approximation. We examined how the evolution of clusters is affected by the shape of competition kernels, by the presence of Allee effects, and by the strength of gene flow along the gradient. For certain parameter ranges clustering was a robust outcome, and for other ranges there was no clustering. Our analysis shows that the shape of competition kernels is important for clustering: the sign structure of the Fourier transform of a competition kernel determines whether the kernel promotes clustering. Also, we found that Allee effects promote clustering, whereas gene flow can have a counteracting influence. In line with earlier findings, we could demonstrate that phenotypic clustering was favored by gradients of intermediate slope.

The derivation and approximation of coarse-grained dynamics from Langevin dynamics

NASA Astrophysics Data System (ADS)

Ma, Lina; Li, Xiantao; Liu, Chun

2016-11-01

We present a derivation of a coarse-grained description, in the form of a generalized Langevin equation, from the Langevin dynamics model that describes the dynamics of bio-molecules. The focus is placed on the form of the memory kernel function, the colored noise, and the second fluctuation-dissipation theorem that connects them. Also presented is a hierarchy of approximations for the memory and random noise terms, using rational approximations in the Laplace domain. These approximations offer increasing accuracy. More importantly, they eliminate the need to evaluate the integral associated with the memory term at each time step. Direct sampling of the colored noise can also be avoided within this framework. Therefore, the numerical implementation of the generalized Langevin equation is much more efficient.

Direct discriminant locality preserving projection with Hammerstein polynomial expansion.

PubMed

Chen, Xi; Zhang, Jiashu; Li, Defang

2012-12-01

Discriminant locality preserving projection (DLPP) is a linear approach that encodes discriminant information into the objective of locality preserving projection and improves its classification ability. To enhance the nonlinear description ability of DLPP, we can optimize the objective function of DLPP in reproducing kernel Hilbert space to form a kernel-based discriminant locality preserving projection (KDLPP). However, KDLPP suffers the following problems: 1) larger computational burden; 2) no explicit mapping functions in KDLPP, which results in more computational burden when projecting a new sample into the low-dimensional subspace; and 3) KDLPP cannot obtain optimal discriminant vectors, which exceedingly optimize the objective of DLPP. To overcome the weaknesses of KDLPP, in this paper, a direct discriminant locality preserving projection with Hammerstein polynomial expansion (HPDDLPP) is proposed. The proposed HPDDLPP directly implements the objective of DLPP in high-dimensional second-order Hammerstein polynomial space without matrix inverse, which extracts the optimal discriminant vectors for DLPP without larger computational burden. Compared with some other related classical methods, experimental results for face and palmprint recognition problems indicate the effectiveness of the proposed HPDDLPP.

Predictive analysis of beer quality by correlating sensory evaluation with higher alcohol and ester production using multivariate statistics methods.

PubMed

Dong, Jian-Jun; Li, Qing-Liang; Yin, Hua; Zhong, Cheng; Hao, Jun-Guang; Yang, Pan-Fei; Tian, Yu-Hong; Jia, Shi-Ru

2014-10-15

Sensory evaluation is regarded as a necessary procedure to ensure a reproducible quality of beer. Meanwhile, high-throughput analytical methods provide a powerful tool to analyse various flavour compounds, such as higher alcohol and ester. In this study, the relationship between flavour compounds and sensory evaluation was established by non-linear models such as partial least squares (PLS), genetic algorithm back-propagation neural network (GA-BP), support vector machine (SVM). It was shown that SVM with a Radial Basis Function (RBF) had a better performance of prediction accuracy for both calibration set (94.3%) and validation set (96.2%) than other models. Relatively lower prediction abilities were observed for GA-BP (52.1%) and PLS (31.7%). In addition, the kernel function of SVM played an essential role of model training when the prediction accuracy of SVM with polynomial kernel function was 32.9%. As a powerful multivariate statistics method, SVM holds great potential to assess beer quality. Copyright © 2014 Elsevier Ltd. All rights reserved.

Modified homotopy perturbation method for solving hypersingular integral equations of the first kind.

PubMed

Eshkuvatov, Z K; Zulkarnain, F S; Nik Long, N M A; Muminov, Z

2016-01-01

Modified homotopy perturbation method (HPM) was used to solve the hypersingular integral equations (HSIEs) of the first kind on the interval [-1,1] with the assumption that the kernel of the hypersingular integral is constant on the diagonal of the domain. Existence of inverse of hypersingular integral operator leads to the convergence of HPM in certain cases. Modified HPM and its norm convergence are obtained in Hilbert space. Comparisons between modified HPM, standard HPM, Bernstein polynomials approach Mandal and Bhattacharya (Appl Math Comput 190:1707-1716, 2007), Chebyshev expansion method Mahiub et al. (Int J Pure Appl Math 69(3):265-274, 2011) and reproducing kernel Chen and Zhou (Appl Math Lett 24:636-641, 2011) are made by solving five examples. Theoretical and practical examples revealed that the modified HPM dominates the standard HPM and others. Finally, it is found that the modified HPM is exact, if the solution of the problem is a product of weights and polynomial functions. For rational solution the absolute error decreases very fast by increasing the number of collocation points.

Reproducibility and Prognosis of Quantitative Features Extracted from CT Images12

PubMed Central

Balagurunathan, Yoganand; Gu, Yuhua; Wang, Hua; Kumar, Virendra; Grove, Olya; Hawkins, Sam; Kim, Jongphil; Goldgof, Dmitry B; Hall, Lawrence O; Gatenby, Robert A; Gillies, Robert J

2014-01-01

We study the reproducibility of quantitative imaging features that are used to describe tumor shape, size, and texture from computed tomography (CT) scans of non-small cell lung cancer (NSCLC). CT images are dependent on various scanning factors. We focus on characterizing image features that are reproducible in the presence of variations due to patient factors and segmentation methods. Thirty-two NSCLC nonenhanced lung CT scans were obtained from the Reference Image Database to Evaluate Response data set. The tumors were segmented using both manual (radiologist expert) and ensemble (software-automated) methods. A set of features (219 three-dimensional and 110 two-dimensional) was computed, and quantitative image features were statistically filtered to identify a subset of reproducible and nonredundant features. The variability in the repeated experiment was measured by the test-retest concordance correlation coefficient (CCCTreT). The natural range in the features, normalized to variance, was measured by the dynamic range (DR). In this study, there were 29 features across segmentation methods found with CCCTreT and DR ≥ 0.9 and R2Bet ≥ 0.95. These reproducible features were tested for predicting radiologist prognostic score; some texture features (run-length and Laws kernels) had an area under the curve of 0.9. The representative features were tested for their prognostic capabilities using an independent NSCLC data set (59 lung adenocarcinomas), where one of the texture features, run-length gray-level nonuniformity, was statistically significant in separating the samples into survival groups (P ≤ .046). PMID:24772210

Validation of Born Traveltime Kernels

NASA Astrophysics Data System (ADS)

Baig, A. M.; Dahlen, F. A.; Hung, S.

2001-12-01

Most inversions for Earth structure using seismic traveltimes rely on linear ray theory to translate observed traveltime anomalies into seismic velocity anomalies distributed throughout the mantle. However, ray theory is not an appropriate tool to use when velocity anomalies have scale lengths less than the width of the Fresnel zone. In the presence of these structures, we need to turn to a scattering theory in order to adequately describe all of the features observed in the waveform. By coupling the Born approximation to ray theory, the first order dependence of heterogeneity on the cross-correlated traveltimes (described by the Fréchet derivative or, more colourfully, the banana-doughnut kernel) may be determined. To determine for what range of parameters these banana-doughnut kernels outperform linear ray theory, we generate several random media specified by their statistical properties, namely the RMS slowness perturbation and the scale length of the heterogeneity. Acoustic waves are numerically generated from a point source using a 3-D pseudo-spectral wave propagation code. These waves are then recorded at a variety of propagation distances from the source introducing a third parameter to the problem: the number of wavelengths traversed by the wave. When all of the heterogeneity has scale lengths larger than the width of the Fresnel zone, ray theory does as good a job at predicting the cross-correlated traveltime as the banana-doughnut kernels do. Below this limit, wavefront healing becomes a significant effect and ray theory ceases to be effective even though the kernels remain relatively accurate provided the heterogeneity is weak. The study of wave propagation in random media is of a more general interest and we will also show our measurements of the velocity shift and the variance of traveltime compare to various theoretical predictions in a given regime.

Dynamic least-squares kernel density modeling of Fokker-Planck equations with application to neural population.

PubMed

Shotorban, Babak

2010-04-01

The dynamic least-squares kernel density (LSQKD) model [C. Pantano and B. Shotorban, Phys. Rev. E 76, 066705 (2007)] is used to solve the Fokker-Planck equations. In this model the probability density function (PDF) is approximated by a linear combination of basis functions with unknown parameters whose governing equations are determined by a global least-squares approximation of the PDF in the phase space. In this work basis functions are set to be Gaussian for which the mean, variance, and covariances are governed by a set of partial differential equations (PDEs) or ordinary differential equations (ODEs) depending on what phase-space variables are approximated by Gaussian functions. Three sample problems of univariate double-well potential, bivariate bistable neurodynamical system [G. Deco and D. Martí, Phys. Rev. E 75, 031913 (2007)], and bivariate Brownian particles in a nonuniform gas are studied. The LSQKD is verified for these problems as its results are compared against the results of the method of characteristics in nondiffusive cases and the stochastic particle method in diffusive cases. For the double-well potential problem it is observed that for low to moderate diffusivity the dynamic LSQKD well predicts the stationary PDF for which there is an exact solution. A similar observation is made for the bistable neurodynamical system. In both these problems least-squares approximation is made on all phase-space variables resulting in a set of ODEs with time as the independent variable for the Gaussian function parameters. In the problem of Brownian particles in a nonuniform gas, this approximation is made only for the particle velocity variable leading to a set of PDEs with time and particle position as independent variables. Solving these PDEs, a very good performance by LSQKD is observed for a wide range of diffusivities.

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

NASA Astrophysics Data System (ADS)

Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny; Birkholzer, Jens T.

2017-11-01

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1-D, 2-D, and 3-D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, td. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, td0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the first two terms for high-accuracy approximations (with less than 10-7 relative error) for 1-D isotropic (spheres, cylinders, slabs) and 2-D/3-D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1-D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2-D/3-D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

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

Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1D, 2D, and 3D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, t d0. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, t d0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the firstmore » two terms for high-accuracy approximations (with less than 10-7 relative error) for 1D isotropic (spheres, cylinders, slabs) and 2D/3D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2D/3D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.« less

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

DOE PAGES

Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny; ...

2017-10-24

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1D, 2D, and 3D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, t d0. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, t d0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the firstmore » two terms for high-accuracy approximations (with less than 10-7 relative error) for 1D isotropic (spheres, cylinders, slabs) and 2D/3D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2D/3D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.« less

Fast and accurate implementation of Fourier spectral approximations of nonlocal diffusion operators and its applications

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

Du, Qiang, E-mail: jyanghkbu@gmail.com; Yang, Jiang, E-mail: qd2125@columbia.edu

This work is concerned with the Fourier spectral approximation of various integral differential equations associated with some linear nonlocal diffusion and peridynamic operators under periodic boundary conditions. For radially symmetric kernels, the nonlocal operators under consideration are diagonalizable in the Fourier space so that the main computational challenge is on the accurate and fast evaluation of their eigenvalues or Fourier symbols consisting of possibly singular and highly oscillatory integrals. For a large class of fractional power-like kernels, we propose a new approach based on reformulating the Fourier symbols both as coefficients of a series expansion and solutions of some simplemore » ODE models. We then propose a hybrid algorithm that utilizes both truncated series expansions and high order Runge–Kutta ODE solvers to provide fast evaluation of Fourier symbols in both one and higher dimensional spaces. It is shown that this hybrid algorithm is robust, efficient and accurate. As applications, we combine this hybrid spectral discretization in the spatial variables and the fourth-order exponential time differencing Runge–Kutta for temporal discretization to offer high order approximations of some nonlocal gradient dynamics including nonlocal Allen–Cahn equations, nonlocal Cahn–Hilliard equations, and nonlocal phase-field crystal models. Numerical results show the accuracy and effectiveness of the fully discrete scheme and illustrate some interesting phenomena associated with the nonlocal models.« less

Stable computations with flat radial basis functions using vector-valued rational approximations

NASA Astrophysics Data System (ADS)

Wright, Grady B.; Fornberg, Bengt

2017-02-01

One commonly finds in applications of smooth radial basis functions (RBFs) that scaling the kernels so they are 'flat' leads to smaller discretization errors. However, the direct numerical approach for computing with flat RBFs (RBF-Direct) is severely ill-conditioned. We present an algorithm for bypassing this ill-conditioning that is based on a new method for rational approximation (RA) of vector-valued analytic functions with the property that all components of the vector share the same singularities. This new algorithm (RBF-RA) is more accurate, robust, and easier to implement than the Contour-Padé method, which is similarly based on vector-valued rational approximation. In contrast to the stable RBF-QR and RBF-GA algorithms, which are based on finding a better conditioned base in the same RBF-space, the new algorithm can be used with any type of smooth radial kernel, and it is also applicable to a wider range of tasks (including calculating Hermite type implicit RBF-FD stencils). We present a series of numerical experiments demonstrating the effectiveness of this new method for computing RBF interpolants in the flat regime. We also demonstrate the flexibility of the method by using it to compute implicit RBF-FD formulas in the flat regime and then using these for solving Poisson's equation in a 3-D spherical shell.

Analytical Plug-In Method for Kernel Density Estimator Applied to Genetic Neutrality Study

NASA Astrophysics Data System (ADS)

Troudi, Molka; Alimi, Adel M.; Saoudi, Samir

2008-12-01

The plug-in method enables optimization of the bandwidth of the kernel density estimator in order to estimate probability density functions (pdfs). Here, a faster procedure than that of the common plug-in method is proposed. The mean integrated square error (MISE) depends directly upon [InlineEquation not available: see fulltext.] which is linked to the second-order derivative of the pdf. As we intend to introduce an analytical approximation of [InlineEquation not available: see fulltext.], the pdf is estimated only once, at the end of iterations. These two kinds of algorithm are tested on different random variables having distributions known for their difficult estimation. Finally, they are applied to genetic data in order to provide a better characterisation in the mean of neutrality of Tunisian Berber populations.

On Hilbert-Schmidt norm convergence of Galerkin approximation for operator Riccati equations

NASA Technical Reports Server (NTRS)

Rosen, I. G.

1988-01-01

An abstract approximation framework for the solution of operator algebraic Riccati equations is developed. The approach taken is based on a formulation of the Riccati equation as an abstract nonlinear operator equation on the space of Hilbert-Schmidt operators. Hilbert-Schmidt norm convergence of solutions to generic finite dimensional Galerkin approximations to the Riccati equation to the solution of the original infinite dimensional problem is argued. The application of the general theory is illustrated via an operator Riccati equation arising in the linear-quadratic design of an optimal feedback control law for a 1-D heat/diffusion equation. Numerical results demonstrating the convergence of the associated Hilbert-Schmidt kernels are included.

Soft and hard classification by reproducing kernel Hilbert space methods.

PubMed

Wahba, Grace

2002-12-24

Reproducing kernel Hilbert space (RKHS) methods provide a unified context for solving a wide variety of statistical modelling and function estimation problems. We consider two such problems: We are given a training set [yi, ti, i = 1, em leader, n], where yi is the response for the ith subject, and ti is a vector of attributes for this subject. The value of y(i) is a label that indicates which category it came from. For the first problem, we wish to build a model from the training set that assigns to each t in an attribute domain of interest an estimate of the probability pj(t) that a (future) subject with attribute vector t is in category j. The second problem is in some sense less ambitious; it is to build a model that assigns to each t a label, which classifies a future subject with that t into one of the categories or possibly "none of the above." The approach to the first of these two problems discussed here is a special case of what is known as penalized likelihood estimation. The approach to the second problem is known as the support vector machine. We also note some alternate but closely related approaches to the second problem. These approaches are all obtained as solutions to optimization problems in RKHS. Many other problems, in particular the solution of ill-posed inverse problems, can be obtained as solutions to optimization problems in RKHS and are mentioned in passing. We caution the reader that although a large literature exists in all of these topics, in this inaugural article we are selectively highlighting work of the author, former students, and other collaborators.

Absorbed dose kernel and self-shielding calculations for a novel radiopaque glass microsphere for transarterial radioembolization.

PubMed

Church, Cody; Mawko, George; Archambault, John Paul; Lewandowski, Robert; Liu, David; Kehoe, Sharon; Boyd, Daniel; Abraham, Robert; Syme, Alasdair

2018-02-01

Radiopaque microspheres may provide intraprocedural and postprocedural feedback during transarterial radioembolization (TARE). Furthermore, the potential to use higher resolution x-ray imaging techniques as opposed to nuclear medicine imaging suggests that significant improvements in the accuracy and precision of radiation dosimetry calculations could be realized for this type of therapy. This study investigates the absorbed dose kernel for novel radiopaque microspheres including contributions of both short and long-lived contaminant radionuclides while concurrently quantifying the self-shielding of the glass network. Monte Carlo simulations using EGSnrc were performed to determine the dose kernels for all monoenergetic electron emissions and all beta spectra for radionuclides reported in a neutron activation study of the microspheres. Simulations were benchmarked against an accepted 90 Y dose point kernel. Self-shielding was quantified for the microspheres by simulating an isotropically emitting, uniformly distributed source, in glass and in water. The ratio of the absorbed doses was scored as a function of distance from a microsphere. The absorbed dose kernel for the microspheres was calculated for (a) two bead formulations following (b) two different durations of neutron activation, at (c) various time points following activation. Self-shielding varies with time postremoval from the reactor. At early time points, it is less pronounced due to the higher energies of the emissions. It is on the order of 0.4-2.8% at a radial distance of 5.43 mm with increased size from 10 to 50 μm in diameter during the time that the microspheres would be administered to a patient. At long time points, self-shielding is more pronounced and can reach values in excess of 20% near the end of the range of the emissions. Absorbed dose kernels for 90 Y, 90m Y, 85m Sr, 85 Sr, 87m Sr, 89 Sr, 70 Ga, 72 Ga, and 31 Si are presented and used to determine an overall kernel for the microspheres based on weighted activities. The shapes of the absorbed dose kernels are dominated at short times postactivation by the contributions of 70 Ga and 72 Ga. Following decay of the short-lived contaminants, the absorbed dose kernel is effectively that of 90 Y. After approximately 1000 h postactivation, the contributions of 85 Sr and 89 Sr become increasingly dominant, though the absorbed dose-rate around the beads drops by roughly four orders of magnitude. The introduction of high atomic number elements for the purpose of increasing radiopacity necessarily leads to the production of radionuclides other than 90 Y in the microspheres. Most of the radionuclides in this study are short-lived and are likely not of any significant concern for this therapeutic agent. The presence of small quantities of longer lived radionuclides will change the shape of the absorbed dose kernel around a microsphere at long time points postadministration when activity levels are significantly reduced. © 2017 American Association of Physicists in Medicine.

Nutritional value of high fiber co-products from the copra, palm kernel, and rice industries in diets fed to pigs.

PubMed

Stein, Hans Henrik; Casas, Gloria Amparo; Abelilla, Jerubella Jerusalem; Liu, Yanhong; Sulabo, Rommel Casilda

2015-01-01

High fiber co-products from the copra and palm kernel industries are by-products of the production of coconut oil and palm kernel oil. The co-products include copra meal, copra expellers, palm kernel meal, and palm kernel expellers. All 4 ingredients are very high in fiber and the energy value is relatively low when fed to pigs. The protein concentration is between 14 and 22 % and the protein has a low biological value and a very high Arg:Lys ratio. Digestibility of most amino acids is less than in soybean meal but close to that in corn. However, the digestibility of Lys is sometimes low due to Maillard reactions that are initiated due to overheating during drying. Copra and palm kernel ingredients contain 0.5 to 0.6 % P. Most of the P in palm kernel meal and palm kernel expellers is bound to phytate, but in copra products less than one third of the P is bound to phytate. The digestibility of P is, therefore, greater in copra meal and copra expellers than in palm kernel ingredients. Inclusion of copra meal should be less than 15 % in diets fed to weanling pigs and less than 25 % in diets for growing-finishing pigs. Palm kernel meal may be included by 15 % in diets for weanling pigs and 25 % in diets for growing and finishing pigs. Rice bran contains the pericarp and aleurone layers of brown rice that is removed before polished rice is produced. Rice bran contains approximately 25 % neutral detergent fiber and 25 to 30 % starch. Rice bran has a greater concentration of P than most other plant ingredients, but 75 to 90 % of the P is bound in phytate. Inclusion of microbial phytase in the diets is, therefore, necessary if rice bran is used. Rice bran may contain 15 to 24 % fat, but it may also have been defatted in which case the fat concentration is less than 5 %. Concentrations of digestible energy (DE) and metabolizable energy (ME) are slightly less in full fat rice bran than in corn, but defatted rice bran contains less than 75 % of the DE and ME in corn. The concentration of crude protein is 15 to 18 % in rice bran and the protein has a high biological value and most amino acids are well digested by pigs. Inclusion of rice bran in diets fed to pigs has yielded variable results and based on current research it is recommended that inclusion levels are less than 25 to 30 % in diets for growing-finishing pigs, and less than 20 % in diets for weanling pigs. However, there is a need for additional research to determine the inclusion rates that may be used for both full fat and defatted rice bran.

Evaluation of Optimal Formulas for Gravitational Tensors up to Gravitational Curvatures of a Tesseroid

NASA Astrophysics Data System (ADS)

Deng, Xiao-Le; Shen, Wen-Bin

2018-01-01

The forward modeling of the topographic effects of the gravitational parameters in the gravity field is a fundamental topic in geodesy and geophysics. Since the gravitational effects, including for instance the gravitational potential (GP), the gravity vector (GV) and the gravity gradient tensor (GGT), of the topographic (or isostatic) mass reduction have been expanded by adding the gravitational curvatures (GC) in geoscience, it is crucial to find efficient numerical approaches to evaluate these effects. In this paper, the GC formulas of a tesseroid in Cartesian integral kernels are derived in 3D/2D forms. Three generally used numerical approaches for computing the topographic effects (e.g., GP, GV, GGT, GC) of a tesseroid are studied, including the Taylor Series Expansion (TSE), Gauss-Legendre Quadrature (GLQ) and Newton-Cotes Quadrature (NCQ) approaches. Numerical investigations show that the GC formulas in Cartesian integral kernels are more efficient if compared to the previously given GC formulas in spherical integral kernels: by exploiting the 3D TSE second-order formulas, the computational burden associated with the former is 46%, as an average, of that associated with the latter. The GLQ behaves better than the 3D/2D TSE and NCQ in terms of accuracy and computational time. In addition, the effects of a spherical shell's thickness and large-scale geocentric distance on the GP, GV, GGT and GC functionals have been studied with the 3D TSE second-order formulas as well. The relative approximation errors of the GC functionals are larger with the thicker spherical shell, which are the same as those of the GP, GV and GGT. Finally, the very-near-area problem and polar singularity problem have been considered by the numerical methods of the 3D TSE, GLQ and NCQ. The relative approximation errors of the GC components are larger than those of the GP, GV and GGT, especially at the very near area. Compared to the GC formulas in spherical integral kernels, these new GC formulas can avoid the polar singularity problem.

Non-linear 3-D Born shear waveform tomography in Southeast Asia

NASA Astrophysics Data System (ADS)

Panning, Mark P.; Cao, Aimin; Kim, Ahyi; Romanowicz, Barbara A.

2012-07-01

Southeast (SE) Asia is a tectonically complex region surrounded by many active source regions, thus an ideal test bed for developments in seismic tomography. Much recent development in tomography has been based on 3-D sensitivity kernels based on the first-order Born approximation, but there are potential problems with this approach when applied to waveform data. In this study, we develop a radially anisotropic model of SE Asia using long-period multimode waveforms. We use a theoretical 'cascade' approach, starting with a large-scale Eurasian model developed using 2-D Non-linear Asymptotic Coupling Theory (NACT) sensitivity kernels, and then using a modified Born approximation (nBorn), shown to be more accurate at modelling waveforms, to invert a subset of the data for structure in a subregion (longitude 75°-150° and latitude 0°-45°). In this subregion, the model is parametrized at a spherical spline level 6 (˜200 km). The data set is also inverted using NACT and purely linear 3-D Born kernels. All three final models fit the data well, with just under 80 per cent variance reduction as calculated using the corresponding theory, but the nBorn model shows more detailed structure than the NACT model throughout and has much better resolution at depths greater than 250 km. Based on variance analysis, the purely linear Born kernels do not provide as good a fit to the data due to deviations from linearity for the waveform data set used in this modelling. The nBorn isotropic model shows a stronger fast velocity anomaly beneath the Tibetan Plateau in the depth range of 150-250 km, which disappears at greater depth, consistent with other studies. It also indicates moderate thinning of the high-velocity plate in the middle of Tibet, consistent with a model where Tibet is underplated by Indian lithosphere from the south and Eurasian lithosphere from the north, in contrast to a model with continuous underplating by Indian lithosphere across the entire plateau. The nBorn anisotropic model detects negative ξ anomalies suggestive of vertical deformation associated with subducted slabs and convergent zones at the Himalayan front and Tien Shan at depths near 150 km.

Radiomics of CT Features May Be Nonreproducible and Redundant: Influence of CT Acquisition Parameters.

PubMed

Berenguer, Roberto; Pastor-Juan, María Del Rosario; Canales-Vázquez, Jesús; Castro-García, Miguel; Villas, María Victoria; Legorburo, Francisco Mansilla; Sabater, Sebastià

2018-04-24

Purpose To identify the reproducible and nonredundant radiomics features (RFs) for computed tomography (CT). Materials and Methods Two phantoms were used to test RF reproducibility by using test-retest analysis, by changing the CT acquisition parameters (hereafter, intra-CT analysis), and by comparing five different scanners with the same CT parameters (hereafter, inter-CT analysis). Reproducible RFs were selected by using the concordance correlation coefficient (as a measure of the agreement between variables) and the coefficient of variation (defined as the ratio of the standard deviation to the mean). Redundant features were grouped by using hierarchical cluster analysis. Results A total of 177 RFs including intensity, shape, and texture features were evaluated. The test-retest analysis showed that 91% (161 of 177) of the RFs were reproducible according to concordance correlation coefficient. Reproducibility of intra-CT RFs, based on coefficient of variation, ranged from 89.3% (151 of 177) to 43.1% (76 of 177) where the pitch factor and the reconstruction kernel were modified, respectively. Reproducibility of inter-CT RFs, based on coefficient of variation, also showed large material differences, from 85.3% (151 of 177; wood) to only 15.8% (28 of 177; polyurethane). Ten clusters were identified after the hierarchical cluster analysis and one RF per cluster was chosen as representative. Conclusion Many RFs were redundant and nonreproducible. If all the CT parameters are fixed except field of view, tube voltage, and milliamperage, then the information provided by the analyzed RFs can be summarized in only 10 RFs (each representing a cluster) because of redundancy. © RSNA, 2018 Online supplemental material is available for this article.

Biochemical and molecular characterization of Avena indolines and their role in kernel texture.

PubMed

Gazza, Laura; Taddei, Federica; Conti, Salvatore; Gazzelloni, Gloria; Muccilli, Vera; Janni, Michela; D'Ovidio, Renato; Alfieri, Michela; Redaelli, Rita; Pogna, Norberto E

2015-02-01

Among cereals, Avena sativa is characterized by an extremely soft endosperm texture, which leads to some negative agronomic and technological traits. On the basis of the well-known softening effect of puroindolines in wheat kernel texture, in this study, indolines and their encoding genes are investigated in Avena species at different ploidy levels. Three novel 14 kDa proteins, showing a central hydrophobic domain with four tryptophan residues and here named vromindoline (VIN)-1,2 and 3, were identified. Each VIN protein in diploid oat species was found to be synthesized by a single Vin gene whereas, in hexaploid A. sativa, three Vin-1, three Vin-2 and two Vin-3 genes coding for VIN-1, VIN-2 and VIN-3, respectively, were described and assigned to the A, C or D genomes based on similarity to their counterparts in diploid species. Expression of oat vromindoline transgenes in the extra-hard durum wheat led to accumulation of vromindolines in the endosperm and caused an approximate 50 % reduction of grain hardness, suggesting a central role for vromindolines in causing the extra-soft texture of oat grain. Further, hexaploid oats showed three orthologous genes coding for avenoindolines A and B, with five or three tryptophan residues, respectively, but very low amounts of avenoindolines were found in mature kernels. The present results identify a novel protein family affecting cereal kernel texture and would further elucidate the phylogenetic evolution of Avena genus.

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

PubMed

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

2010-11-01

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

Robust kernel collaborative representation for face recognition

NASA Astrophysics Data System (ADS)

Huang, Wei; Wang, Xiaohui; Ma, Yanbo; Jiang, Yuzheng; Zhu, Yinghui; Jin, Zhong

2015-05-01

One of the greatest challenges of representation-based face recognition is that the training samples are usually insufficient. In other words, the training set usually does not include enough samples to show varieties of high-dimensional face images caused by illuminations, facial expressions, and postures. When the test sample is significantly different from the training samples of the same subject, the recognition performance will be sharply reduced. We propose a robust kernel collaborative representation based on virtual samples for face recognition. We think that the virtual training set conveys some reasonable and possible variations of the original training samples. Hence, we design a new object function to more closely match the representation coefficients generated from the original and virtual training sets. In order to further improve the robustness, we implement the corresponding representation-based face recognition in kernel space. It is noteworthy that any kind of virtual training samples can be used in our method. We use noised face images to obtain virtual face samples. The noise can be approximately viewed as a reflection of the varieties of illuminations, facial expressions, and postures. Our work is a simple and feasible way to obtain virtual face samples to impose Gaussian noise (and other types of noise) specifically to the original training samples to obtain possible variations of the original samples. Experimental results on the FERET, Georgia Tech, and ORL face databases show that the proposed method is more robust than two state-of-the-art face recognition methods, such as CRC and Kernel CRC.

Influence of Initial Correlations on Evolution of a Subsystem in a Heat Bath and Polaron Mobility

NASA Astrophysics Data System (ADS)

Los, Victor F.

2017-08-01

A regular approach to accounting for initial correlations, which allows to go beyond the unrealistic random phase (initial product state) approximation in deriving the evolution equations, is suggested. An exact homogeneous (time-convolution and time-convolutionless) equations for a relevant part of the two-time equilibrium correlation function for the dynamic variables of a subsystem interacting with a boson field (heat bath) are obtained. No conventional approximation like RPA or Bogoliubov's principle of weakening of initial correlations is used. The obtained equations take into account the initial correlations in the kernel governing their evolution. The solution to these equations is found in the second order of the kernel expansion in the electron-phonon interaction, which demonstrates that generally the initial correlations influence the correlation function's evolution in time. It is explicitly shown that this influence vanishes on a large timescale (actually at t→ ∞) and the evolution process enters an irreversible kinetic regime. The developed approach is applied to the Fröhlich polaron and the low-temperature polaron mobility (which was under a long-time debate) is found with a correction due to initial correlations.

A stepwise, 'test-all-positives' methodology to assess gluten-kernel contamination at the serving-size level in gluten-free (GF) oat production.

PubMed

Chen, Yumin; Fritz, Ronald D; Kock, Lindsay; Garg, Dinesh; Davis, R Mark; Kasturi, Prabhakar

2018-02-01

A step-wise, 'test-all-positive-gluten' analytical methodology has been developed and verified to assess kernel-based gluten contamination (i.e., wheat, barley and rye kernels) during gluten-free (GF) oat production. It targets GF claim compliance at the serving-size level (of a pouch or approximately 40-50g). Oat groats are collected from GF oat production following a robust attribute-based sampling plan then split into 75-g subsamples, and ground. R-Biopharm R5 sandwich ELISA R7001 is used for analysis of all the first15-g portions of the ground sample. A >20-ppm result disqualifies the production lot, while a >5 to <20-ppm result triggers complete analysis of the remaining 60-g of ground sample, analyzed in 15-g portions. If all five 15-g test results are <20ppm, and their average is <10.67ppm (since a 20-ppm contaminant in 40g of oats would dilute to 10.67ppm in 75-g), the lot is passed. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Efficacy of ozone as a fungicidal and detoxifying agent of aflatoxins in peanuts.

PubMed

de Alencar, Ernandes Rodrigues; Faroni, Lêda Rita D'Antonino; Soares, Nilda de Fátima Ferreira; da Silva, Washington Azevedo; Carvalho, Marta Cristina da Silva

2012-03-15

Peanut contamination by fungi is a concern of processors and consumers owing to the association of these micro-organisms with quality deterioration and aflatoxin production. In this study the fungicidal and detoxifying effects of ozone on aflatoxins in peanuts was investigated. Peanut kernels were ozonated at concentrations of 13 and 21 mg L⁻¹ for periods of 0, 24, 48, 72 and 96 h. Ozone was effective in controlling total fungi and potentially aflatoxigenic species in peanuts, with a reduction in colony-forming units per gram greater than 3 log cycles at the concentration of 21 mg L⁻¹ after 96 h of exposure. A reduction in the percentage of peanuts with internal fungal populations was also observed, particularly after exposure to ozone at 21 mg L⁻¹. A reduction in the concentrations of total aflatoxins and aflatoxin B1 of approximately 30 and 25% respectively was observed for kernels exposed to ozone at 21 mg L⁻¹ for 96 h. It was concluded that ozone is an important alternative for peanut detoxification because it is effective in controlling potentially aflatoxigenic fungi and also acts in the reduction of aflatoxin levels in kernels. Copyright © 2011 Society of Chemical Industry.

Blind motion image deblurring using nonconvex higher-order total variation model

NASA Astrophysics Data System (ADS)

Li, Weihong; Chen, Rui; Xu, Shangwen; Gong, Weiguo

2016-09-01

We propose a nonconvex higher-order total variation (TV) method for blind motion image deblurring. First, we introduce a nonconvex higher-order TV differential operator to define a new model of the blind motion image deblurring, which can effectively eliminate the staircase effect of the deblurred image; meanwhile, we employ an image sparse prior to improve the edge recovery quality. Second, to improve the accuracy of the estimated motion blur kernel, we use L1 norm and H1 norm as the blur kernel regularization term, considering the sparsity and smoothing of the motion blur kernel. Third, because it is difficult to solve the numerically computational complexity problem of the proposed model owing to the intrinsic nonconvexity, we propose a binary iterative strategy, which incorporates a reweighted minimization approximating scheme in the outer iteration, and a split Bregman algorithm in the inner iteration. And we also discuss the convergence of the proposed binary iterative strategy. Last, we conduct extensive experiments on both synthetic and real-world degraded images. The results demonstrate that the proposed method outperforms the previous representative methods in both quality of visual perception and quantitative measurement.

Gaussianization for fast and accurate inference from cosmological data

NASA Astrophysics Data System (ADS)

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

2016-06-01

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

Turbulent flame spreading mechanisms after spark ignition

NASA Astrophysics Data System (ADS)

Subramanian, V.; Domingo, Pascale; Vervisch, Luc

2009-12-01

Numerical simulation of forced ignition is performed in the framework of Large-Eddy Simulation (LES) combined with a tabulated detailed chemistry approach. The objective is to reproduce the flame properties observed in a recent experimental work reporting probability of ignition in a laboratory-scale burner operating with Methane/air non premixed mixture [1]. The smallest scales of chemical phenomena, which are unresolved by the LES grid, are approximated with a flamelet model combined with presumed probability density functions, to account for the unresolved part of turbulent fluctuations of species and temperature. Mono-dimensional flamelets are simulated using GRI-3.0 [2] and tabulated under a set of parameters describing the local mixing and progress of reaction. A non reacting case was simulated at first, to study the unsteady velocity and mixture fields. The time averaged velocity and mixture fraction, and their respective turbulent fluctuations, are compared against the experimental measurements, in order to estimate the prediction capabilities of LES. The time history of axial and radial components of velocity and mixture fraction is cumulated and analysed for different burner regimes. Based on this information, spark ignition is mimicked on selected ignition spots and the dynamics of kernel development analyzed to be compared against the experimental observations. The possible link between the success or failure of the ignition and the flow conditions (in terms of velocity and composition) at the sparking time are then explored.

Local Subspace Classifier with Transform-Invariance for Image Classification

NASA Astrophysics Data System (ADS)

Hotta, Seiji

A family of linear subspace classifiers called local subspace classifier (LSC) outperforms the k-nearest neighbor rule (kNN) and conventional subspace classifiers in handwritten digit classification. However, LSC suffers very high sensitivity to image transformations because it uses projection and the Euclidean distances for classification. In this paper, I present a combination of a local subspace classifier (LSC) and a tangent distance (TD) for improving accuracy of handwritten digit recognition. In this classification rule, we can deal with transform-invariance easily because we are able to use tangent vectors for approximation of transformations. However, we cannot use tangent vectors in other type of images such as color images. Hence, kernel LSC (KLSC) is proposed for incorporating transform-invariance into LSC via kernel mapping. The performance of the proposed methods is verified with the experiments on handwritten digit and color image classification.

The intrinsic matter bispectrum in ΛCDM

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

Tram, Thomas; Crittenden, Robert; Koyama, Kazuya

2016-05-01

We present a fully relativistic calculation of the matter bispectrum at second order in cosmological perturbation theory assuming a Gaussian primordial curvature perturbation. For the first time we perform a full numerical integration of the bispectrum for both baryons and cold dark matter using the second-order Einstein-Boltzmann code, SONG. We review previous analytical results and provide an improved analytic approximation for the second-order kernel in Poisson gauge which incorporates Newtonian nonlinear evolution, relativistic initial conditions, the effect of radiation at early times and the cosmological constant at late times. Our improved kernel provides a percent level fit to the fullmore » numerical result at late times for most configurations, including both equilateral shapes and the squeezed limit. We show that baryon acoustic oscillations leave an imprint in the matter bispectrum, making a significant impact on squeezed shapes.« less

On randomized algorithms for numerical solution of applied Fredholm integral equations of the second kind

NASA Astrophysics Data System (ADS)

Voytishek, Anton V.; Shipilov, Nikolay M.

2017-11-01

In this paper, the systematization of numerical (implemented on a computer) randomized functional algorithms for approximation of a solution of Fredholm integral equation of the second kind is carried out. Wherein, three types of such algorithms are distinguished: the projection, the mesh and the projection-mesh methods. The possibilities for usage of these algorithms for solution of practically important problems is investigated in detail. The disadvantages of the mesh algorithms, related to the necessity of calculation values of the kernels of integral equations in fixed points, are identified. On practice, these kernels have integrated singularities, and calculation of their values is impossible. Thus, for applied problems, related to solving Fredholm integral equation of the second kind, it is expedient to use not mesh, but the projection and the projection-mesh randomized algorithms.

On processed splitting methods and high-order actions in path-integral Monte Carlo simulations.

PubMed

Casas, Fernando

2010-10-21

Processed splitting methods are particularly well adapted to carry out path-integral Monte Carlo (PIMC) simulations: since one is mainly interested in estimating traces of operators, only the kernel of the method is necessary to approximate the thermal density matrix. Unfortunately, they suffer the same drawback as standard, nonprocessed integrators: kernels of effective order greater than two necessarily involve some negative coefficients. This problem can be circumvented, however, by incorporating modified potentials into the composition, thus rendering schemes of higher effective order. In this work we analyze a family of fourth-order schemes recently proposed in the PIMC setting, paying special attention to their linear stability properties, and justify their observed behavior in practice. We also propose a new fourth-order scheme requiring the same computational cost but with an enlarged stability interval.

Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations

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

Webster, R., E-mail: ross.webster07@imperial.ac.uk; Harrison, N. M.; Bernasconi, L.

2015-06-07

We present a study of the electronic and optical properties of a series of alkali halide crystals AX, with A = Li, Na, K, Rb and X = F, Cl, Br based on a recent implementation of hybrid-exchange time-dependent density functional theory (TD-DFT) (TD-B3LYP) in the all-electron Gaussian basis set code CRYSTAL. We examine, in particular, the impact of basis set size and quality on the prediction of the optical gap and exciton binding energy. The formation of bound excitons by photoexcitation is observed in all the studied systems and this is shown to be correlated to specific features ofmore » the Hartree-Fock exchange component of the TD-DFT response kernel. All computed optical gaps and exciton binding energies are however markedly below estimated experimental and, where available, 2-particle Green’s function (GW-Bethe-Salpeter equation, GW-BSE) values. We attribute this reduced exciton binding to the incorrect asymptotics of the B3LYP exchange correlation ground state functional and of the TD-B3LYP response kernel, which lead to a large underestimation of the Coulomb interaction between the excited electron and hole wavefunctions. Considering LiF as an example, we correlate the asymptotic behaviour of the TD-B3LYP kernel to the fraction of Fock exchange admixed in the ground state functional c{sub HF} and show that there exists one value of c{sub HF} (∼0.32) that reproduces at least semi-quantitatively the optical gap of this material.« less

Approximating the linear quadratic optimal control law for hereditary systems with delays in the control

NASA Technical Reports Server (NTRS)

Milman, Mark H.

1987-01-01

The fundamental control synthesis issue of establishing a priori convergence rates of approximation schemes for feedback controllers for a class of distributed parameter systems is addressed within the context of hereditary systems. Specifically, a factorization approach is presented for deriving approximations to the optimal feedback gains for the linear regulator-quadratic cost problem associated with time-varying functional differential equations with control delays. The approach is based on a discretization of the state penalty which leads to a simple structure for the feedback control law. General properties of the Volterra factors of Hilbert-Schmidt operators are then used to obtain convergence results for the controls, trajectories and feedback kernels. Two algorithms are derived from the basic approximation scheme, including a fast algorithm, in the time-invariant case. A numerical example is also considered.

Approximating the linear quadratic optimal control law for hereditary systems with delays in the control

NASA Technical Reports Server (NTRS)

Milman, Mark H.

1988-01-01

The fundamental control synthesis issue of establishing a priori convergence rates of approximation schemes for feedback controllers for a class of distributed parameter systems is addressed within the context of hereditary schemes. Specifically, a factorization approach is presented for deriving approximations to the optimal feedback gains for the linear regulator-quadratic cost problem associated with time-varying functional differential equations with control delays. The approach is based on a discretization of the state penalty which leads to a simple structure for the feedback control law. General properties of the Volterra factors of Hilbert-Schmidt operators are then used to obtain convergence results for the controls, trajectories and feedback kernels. Two algorithms are derived from the basic approximation scheme, including a fast algorithm, in the time-invariant case. A numerical example is also considered.

HS-SPME-GC-MS/MS Method for the Rapid and Sensitive Quantitation of 2-Acetyl-1-pyrroline in Single Rice Kernels.

PubMed

Hopfer, Helene; Jodari, Farman; Negre-Zakharov, Florence; Wylie, Phillip L; Ebeler, Susan E

2016-05-25

Demand for aromatic rice varieties (e.g., Basmati) is increasing in the US. Aromatic varieties typically have elevated levels of the aroma compound 2-acetyl-1-pyrroline (2AP). Due to its very low aroma threshold, analysis of 2AP provides a useful screening tool for rice breeders. Methods for 2AP analysis in rice should quantitate 2AP at or below sensory threshold level, avoid artifactual 2AP generation, and be able to analyze single rice kernels in cases where only small sample quantities are available (e.g., breeding trials). We combined headspace solid phase microextraction with gas chromatography tandem mass spectrometry (HS-SPME-GC-MS/MS) for analysis of 2AP, using an extraction temperature of 40 °C and a stable isotopologue as internal standard. 2AP calibrations were linear between the concentrations of 53 and 5380 pg/g, with detection limits below the sensory threshold of 2AP. Forty-eight aromatic and nonaromatic, milled rice samples from three harvest years were screened with the method for their 2AP content, and overall reproducibility, observed for all samples, ranged from 5% for experimental aromatic lines to 33% for nonaromatic lines.

Sugar Efflux from Maize (Zea mays L.) Pedicel Tissue 1

PubMed Central

Porter, Gregory A.; Knievel, Daniel P.; Shannon, Jack C.

1985-01-01

Sugar release from the pedicel tissue of maize (Zea mays L.) kernels was studied by removing the distal portion of the kernel and the lower endosperm, followed by replacement of the endosperm with an agar solute trap. Sugars were unloaded into the apoplast of the pedicel and accumulated in the agar trap while the ear remained attached to the maize plant. The kinetics of 14C-assimilate movement into treated versus intact kernels were comparable. The rate of unloading declined with time, but sugar efflux from the pedicel continued for at least 6 hours and in most experiments the unloading rates approximated those necessary to support normal kernel growth rates. The unloading process was challenged with a variety of buffers, inhibitors, and solutes in order to characterize sugar unloading from this tissue. Unloading was not affected by apoplastic pH or a variety of metabolic inhibitors. Although p-chloromercuribenzene sulfonic acid (PCMBS), a nonpenetrating sulfhydryl group reagent, did not affect sugar unloading, it effectively inhibited extracellular acid invertase. When the pedicel cups were pretreated with PCMBS, at least 60% of sugars unloaded from the pedicel could be identified as sucrose. Unloading was inhibited up to 70% by 10 millimolar CaCl2. Unloading was stimulated by 15 millimolar ethyleneglycol-bis(β-aminoethyl ether)-N,N,N′,N′-tetraacetic acid which partially reversed the inhibitory effects of Ca2+. Based on these results, we suggest that passive efflux of sucrose occurs from the maize pedicel symplast followed by extracellular hydrolysis to hexoses. Images Fig. 1 Fig. 2 PMID:16664091

Generation of a novel phase-space-based cylindrical dose kernel for IMRT optimization.

PubMed

Zhong, Hualiang; Chetty, Indrin J

2012-05-01

Improving dose calculation accuracy is crucial in intensity-modulated radiation therapy (IMRT). We have developed a method for generating a phase-space-based dose kernel for IMRT planning of lung cancer patients. Particle transport in the linear accelerator treatment head of a 21EX, 6 MV photon beam (Varian Medical Systems, Palo Alto, CA) was simulated using the EGSnrc/BEAMnrc code system. The phase space information was recorded under the secondary jaws. Each particle in the phase space file was associated with a beamlet whose index was calculated and saved in the particle's LATCH variable. The DOSXYZnrc code was modified to accumulate the energy deposited by each particle based on its beamlet index. Furthermore, the central axis of each beamlet was calculated from the orientation of all the particles in this beamlet. A cylinder was then defined around the central axis so that only the energy deposited within the cylinder was counted. A look-up table was established for each cylinder during the tallying process. The efficiency and accuracy of the cylindrical beamlet energy deposition approach was evaluated using a treatment plan developed on a simulated lung phantom. Profile and percentage depth doses computed in a water phantom for an open, square field size were within 1.5% of measurements. Dose optimized with the cylindrical dose kernel was found to be within 0.6% of that computed with the nontruncated 3D kernel. The cylindrical truncation reduced optimization time by approximately 80%. A method for generating a phase-space-based dose kernel, using a truncated cylinder for scoring dose, in beamlet-based optimization of lung treatment planning was developed and found to be in good agreement with the standard, nontruncated scoring approach. Compared to previous techniques, our method significantly reduces computational time and memory requirements, which may be useful for Monte-Carlo-based 4D IMRT or IMAT treatment planning.

Pure endmember extraction using robust kernel archetypoid analysis for hyperspectral imagery

NASA Astrophysics Data System (ADS)

Sun, Weiwei; Yang, Gang; Wu, Ke; Li, Weiyue; Zhang, Dianfa

2017-09-01

A robust kernel archetypoid analysis (RKADA) method is proposed to extract pure endmembers from hyperspectral imagery (HSI). The RKADA assumes that each pixel is a sparse linear mixture of all endmembers and each endmember corresponds to a real pixel in the image scene. First, it improves the re8gular archetypal analysis with a new binary sparse constraint, and the adoption of the kernel function constructs the principal convex hull in an infinite Hilbert space and enlarges the divergences between pairwise pixels. Second, the RKADA transfers the pure endmember extraction problem into an optimization problem by minimizing residual errors with the Huber loss function. The Huber loss function reduces the effects from big noises and outliers in the convergence procedure of RKADA and enhances the robustness of the optimization function. Third, the random kernel sinks for fast kernel matrix approximation and the two-stage algorithm for optimizing initial pure endmembers are utilized to improve its computational efficiency in realistic implementations of RKADA, respectively. The optimization equation of RKADA is solved by using the block coordinate descend scheme and the desired pure endmembers are finally obtained. Six state-of-the-art pure endmember extraction methods are employed to make comparisons with the RKADA on both synthetic and real Cuprite HSI datasets, including three geometrical algorithms vertex component analysis (VCA), alternative volume maximization (AVMAX) and orthogonal subspace projection (OSP), and three matrix factorization algorithms the preconditioning for successive projection algorithm (PreSPA), hierarchical clustering based on rank-two nonnegative matrix factorization (H2NMF) and self-dictionary multiple measurement vector (SDMMV). Experimental results show that the RKADA outperforms all the six methods in terms of spectral angle distance (SAD) and root-mean-square-error (RMSE). Moreover, the RKADA has short computational times in offline operations and shows significant improvement in identifying pure endmembers for ground objects with smaller spectrum differences. Therefore, the RKADA could be an alternative for pure endmember extraction from hyperspectral images.

Upgrade to iterative image reconstruction (IR) in MDCT imaging: a clinical study for detailed parameter optimization beyond vendor recommendations using the adaptive statistical iterative reconstruction environment (ASIR) Part2: The chest.

PubMed

Mueck, F G; Michael, L; Deak, Z; Scherr, M K; Maxien, D; Geyer, L L; Reiser, M; Wirth, S

2013-07-01

To compare the image quality in dose-reduced 64-row CT of the chest at different levels of adaptive statistical iterative reconstruction (ASIR) to full-dose baseline examinations reconstructed solely with filtered back projection (FBP) in a realistic upgrade scenario. A waiver of consent was granted by the institutional review board (IRB). The noise index (NI) relates to the standard deviation of Hounsfield units in a water phantom. Baseline exams of the chest (NI = 29; LightSpeed VCT XT, GE Healthcare) were intra-individually compared to follow-up studies on a CT with ASIR after system upgrade (NI = 45; Discovery HD750, GE Healthcare), n = 46. Images were calculated in slice and volume mode with ASIR levels of 0 - 100 % in the standard and lung kernel. Three radiologists independently compared the image quality to the corresponding full-dose baseline examinations (-2: diagnostically inferior, -1: inferior, 0: equal, + 1: superior, + 2: diagnostically superior). Statistical analysis used Wilcoxon's test, Mann-Whitney U test and the intraclass correlation coefficient (ICC). The mean CTDIvol decreased by 53 % from the FBP baseline to 8.0 ± 2.3 mGy for ASIR follow-ups; p < 0.001. The ICC was 0.70. Regarding the standard kernel, the image quality in dose-reduced studies was comparable to the baseline at ASIR 70 % in volume mode (-0.07 ± 0.29, p = 0.29). Concerning the lung kernel, every ASIR level outperformed the baseline image quality (p < 0.001), with ASIR 30 % rated best (slice: 0.70 ± 0.6, volume: 0.74 ± 0.61). Vendors' recommendation of 50 % ASIR is fair. In detail, the ASIR 70 % in volume mode for the standard kernel and ASIR 30 % for the lung kernel performed best, allowing for a dose reduction of approximately 50 %. © Georg Thieme Verlag KG Stuttgart · New York.

Simultaneous estimation of phenolic acids in sea buckthorn (Hippophaë rhamnoides) using RP-HPLC with DAD.

PubMed

Arimboor, Ranjith; Kumar, K Sarin; Arumughan, C

2008-05-12

A RP-HPLC-DAD method was developed and validated for the simultaneous analysis of nine phenolic acids including gallic acid, protocatechuic acid, p-hydroxybenzoic acid, vanillic acid, salicylic acid, p-coumaric acid, cinnamic acid, caffiec acid and ferulic acid in sea buckthorn (SB) (Hippophaë rhamnoides) berries and leaves. The method was validated in terms of linearity, LOD, precision, accuracy and recovery and found to be satisfactory. Phenolic acid derivatives in anatomical parts of SB berries and leaves were separated into free phenolic acids, phenolic acids bound as esters and phenolic acids bound as glycosides and profiled in HPLC. Berry pulp contained a total of 1068 mg/kg phenolic acids, of which 58.8% was derived from phenolic glycosides. Free phenolic acids and phenolic acid esters constituted 20.0% and 21.2%, respectively, of total phenolic acids in SB berry pulp. The total phenolic acid content in seed kernel (5741 mg/kg) was higher than that in berry pulp and seed coat (Table 2). Phenolic acids liberated from soluble esters constituted the major fraction of phenolic acids (57.3% of total phenolic acids) in seed kernel. 8.4% and 34.3% of total phenolic acids in seed kernel were, respectively contributed by free and phenolic acids liberated from glycosidic bonds. The total soluble phenolic acids content in seed coat (448 mg/kg) was lower than that in seed kernel and pulp (Table 2). Proportion of free phenolic acids in total phenolic acids in seed coat was higher than that in seed kernel and pulp. Phenolic acids bound as esters and glycosides, respectively contributed 49.1% and 20.3% of total phenolic acids in seed coat. The major fraction (approximately 70%) of phenolic acids in SB berries was found to be concentrated in the seeds. Gallic acid was the predominant phenolic acid both in free and bound forms in SB berry parts and leaves.

A Unified Methodology for Computing Accurate Quaternion Color Moments and Moment Invariants.

PubMed

Karakasis, Evangelos G; Papakostas, George A; Koulouriotis, Dimitrios E; Tourassis, Vassilios D

2014-02-01

In this paper, a general framework for computing accurate quaternion color moments and their corresponding invariants is proposed. The proposed unified scheme arose by studying the characteristics of different orthogonal polynomials. These polynomials are used as kernels in order to form moments, the invariants of which can easily be derived. The resulted scheme permits the usage of any polynomial-like kernel in a unified and consistent way. The resulted moments and moment invariants demonstrate robustness to noisy conditions and high discriminative power. Additionally, in the case of continuous moments, accurate computations take place to avoid approximation errors. Based on this general methodology, the quaternion Tchebichef, Krawtchouk, Dual Hahn, Legendre, orthogonal Fourier-Mellin, pseudo Zernike and Zernike color moments, and their corresponding invariants are introduced. A selected paradigm presents the reconstruction capability of each moment family, whereas proper classification scenarios evaluate the performance of color moment invariants.

SOM-based nonlinear least squares twin SVM via active contours for noisy image segmentation

NASA Astrophysics Data System (ADS)

Xie, Xiaomin; Wang, Tingting

2017-02-01

In this paper, a nonlinear least square twin support vector machine (NLSTSVM) with the integration of active contour model (ACM) is proposed for noisy image segmentation. Efforts have been made to seek the kernel-generated surfaces instead of hyper-planes for the pixels belonging to the foreground and background, respectively, using the kernel trick to enhance the performance. The concurrent self organizing maps (SOMs) are applied to approximate the intensity distributions in a supervised way, so as to establish the original training sets for the NLSTSVM. Further, the two sets are updated by adding the global region average intensities at each iteration. Moreover, a local variable regional term rather than edge stop function is adopted in the energy function to ameliorate the noise robustness. Experiment results demonstrate that our model holds the higher segmentation accuracy and more noise robustness.

Learning molecular energies using localized graph kernels.

PubMed

Ferré, Grégoire; Haut, Terry; Barros, Kipton

2017-03-21

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturally incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. We benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.

Learning molecular energies using localized graph kernels

NASA Astrophysics Data System (ADS)

Ferré, Grégoire; Haut, Terry; Barros, Kipton

2017-03-01

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturally incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. We benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.

A new treatment of nonlocality in scattering process

NASA Astrophysics Data System (ADS)

Upadhyay, N. J.; Bhagwat, A.; Jain, B. K.

2018-01-01

Nonlocality in the scattering potential leads to an integro-differential equation. In this equation nonlocality enters through an integral over the nonlocal potential kernel. The resulting Schrödinger equation is usually handled by approximating r,{r}{\\prime }-dependence of the nonlocal kernel. The present work proposes a novel method to solve the integro-differential equation. The method, using the mean value theorem of integral calculus, converts the nonhomogeneous term to a homogeneous term. The effective local potential in this equation turns out to be energy independent, but has relative angular momentum dependence. This method is accurate and valid for any form of nonlocality. As illustrative examples, the total and differential cross sections for neutron scattering off 12C, 56Fe and 100Mo nuclei are calculated with this method in the low energy region (up to 10 MeV) and are found to be in reasonable accord with the experiments.

Optimized Quasi-Interpolators for Image Reconstruction.

PubMed

Sacht, Leonardo; Nehab, Diego

2015-12-01

We propose new quasi-interpolators for the continuous reconstruction of sampled images, combining a narrowly supported piecewise-polynomial kernel and an efficient digital filter. In other words, our quasi-interpolators fit within the generalized sampling framework and are straightforward to use. We go against standard practice and optimize for approximation quality over the entire Nyquist range, rather than focusing exclusively on the asymptotic behavior as the sample spacing goes to zero. In contrast to previous work, we jointly optimize with respect to all degrees of freedom available in both the kernel and the digital filter. We consider linear, quadratic, and cubic schemes, offering different tradeoffs between quality and computational cost. Experiments with compounded rotations and translations over a range of input images confirm that, due to the additional degrees of freedom and the more realistic objective function, our new quasi-interpolators perform better than the state of the art, at a similar computational cost.

GPU-Powered Coherent Beamforming

NASA Astrophysics Data System (ADS)

Magro, A.; Adami, K. Zarb; Hickish, J.

2015-03-01

Graphics processing units (GPU)-based beamforming is a relatively unexplored area in radio astronomy, possibly due to the assumption that any such system will be severely limited by the PCIe bandwidth required to transfer data to the GPU. We have developed a CUDA-based GPU implementation of a coherent beamformer, specifically designed and optimized for deployment at the BEST-2 array which can generate an arbitrary number of synthesized beams for a wide range of parameters. It achieves ˜1.3 TFLOPs on an NVIDIA Tesla K20, approximately 10x faster than an optimized, multithreaded CPU implementation. This kernel has been integrated into two real-time, GPU-based time-domain software pipelines deployed at the BEST-2 array in Medicina: a standalone beamforming pipeline and a transient detection pipeline. We present performance benchmarks for the beamforming kernel as well as the transient detection pipeline with beamforming capabilities as well as results of test observation.

Kernel abortion in maize : I. Carbohydrate concentration patterns and Acid invertase activity of maize kernels induced to abort in vitro.

PubMed

Hanft, J M; Jones, R J

1986-06-01

Kernels cultured in vitro were induced to abort by high temperature (35 degrees C) and by culturing six kernels/cob piece. Aborting kernels failed to enter a linear phase of dry mass accumulation and had a final mass that was less than 6% of nonaborting field-grown kernels. Kernels induced to abort by high temperature failed to synthesize starch in the endosperm and had elevated sucrose concentrations and low fructose and glucose concentrations in the pedicel during early growth compared to nonaborting kernels. Kernels induced to abort by high temperature also had much lower pedicel soluble acid invertase activities than did nonaborting kernels. These results suggest that high temperature during the lag phase of kernel growth may impair the process of sucrose unloading in the pedicel by indirectly inhibiting soluble acid invertase activity and prevent starch synthesis in the endosperm. Kernels induced to abort by culturing six kernels/cob piece had reduced pedicel fructose, glucose, and sucrose concentrations compared to kernels from field-grown ears. These aborting kernels also had a lower pedicel soluble acid invertase activity compared to nonaborting kernels from the same cob piece and from field-grown ears. The low invertase activity in pedicel tissue of the aborting kernels was probably caused by a lack of substrate (sucrose) for the invertase to cleave due to the intense competition for available assimilates. In contrast to kernels cultured at 35 degrees C, aborting kernels from cob pieces containing all six kernels accumulated starch in a linear fashion. These results indicate that kernels cultured six/cob piece abort because of an inadequate supply of sugar and are similar to apical kernels from field-grown ears that often abort prior to the onset of linear growth.

Extended computational kernels in a massively parallel implementation of the Trotter-Suzuki approximation

NASA Astrophysics Data System (ADS)

Wittek, Peter; Calderaro, Luca

2015-12-01

We extended a parallel and distributed implementation of the Trotter-Suzuki algorithm for simulating quantum systems to study a wider range of physical problems and to make the library easier to use. The new release allows periodic boundary conditions, many-body simulations of non-interacting particles, arbitrary stationary potential functions, and imaginary time evolution to approximate the ground state energy. The new release is more resilient to the computational environment: a wider range of compiler chains and more platforms are supported. To ease development, we provide a more extensive command-line interface, an application programming interface, and wrappers from high-level languages.

Kernel-density estimation and approximate Bayesian computation for flexible epidemiological model fitting in Python.

PubMed

Irvine, Michael A; Hollingsworth, T Déirdre

2018-05-26

Fitting complex models to epidemiological data is a challenging problem: methodologies can be inaccessible to all but specialists, there may be challenges in adequately describing uncertainty in model fitting, the complex models may take a long time to run, and it can be difficult to fully capture the heterogeneity in the data. We develop an adaptive approximate Bayesian computation scheme to fit a variety of epidemiologically relevant data with minimal hyper-parameter tuning by using an adaptive tolerance scheme. We implement a novel kernel density estimation scheme to capture both dispersed and multi-dimensional data, and directly compare this technique to standard Bayesian approaches. We then apply the procedure to a complex individual-based simulation of lymphatic filariasis, a human parasitic disease. The procedure and examples are released alongside this article as an open access library, with examples to aid researchers to rapidly fit models to data. This demonstrates that an adaptive ABC scheme with a general summary and distance metric is capable of performing model fitting for a variety of epidemiological data. It also does not require significant theoretical background to use and can be made accessible to the diverse epidemiological research community. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

An improved numerical method for the kernel density functional estimation of disperse flow

NASA Astrophysics Data System (ADS)

Smith, Timothy; Ranjan, Reetesh; Pantano, Carlos

2014-11-01

We present an improved numerical method to solve the transport equation for the one-point particle density function (pdf), which can be used to model disperse flows. The transport equation, a hyperbolic partial differential equation (PDE) with a source term, is derived from the Lagrangian equations for a dilute particle system by treating position and velocity as state-space variables. The method approximates the pdf by a discrete mixture of kernel density functions (KDFs) with space and time varying parameters and performs a global Rayleigh-Ritz like least-square minimization on the state-space of velocity. Such an approximation leads to a hyperbolic system of PDEs for the KDF parameters that cannot be written completely in conservation form. This system is solved using a numerical method that is path-consistent, according to the theory of non-conservative hyperbolic equations. The resulting formulation is a Roe-like update that utilizes the local eigensystem information of the linearized system of PDEs. We will present the formulation of the base method, its higher-order extension and further regularization to demonstrate that the method can predict statistics of disperse flows in an accurate, consistent and efficient manner. This project was funded by NSF Project NSF-DMS 1318161.

Detecting Genomic Clustering of Risk Variants from Sequence Data: Cases vs. Controls

PubMed Central

Schaid, Daniel J.; Sinnwell, Jason P.; McDonnell, Shannon K.; Thibodeau, Stephen N.

2013-01-01

As the ability to measure dense genetic markers approaches the limit of the DNA sequence itself, taking advantage of possible clustering of genetic variants in, and around, a gene would benefit genetic association analyses, and likely provide biological insights. The greatest benefit might be realized when multiple rare variants cluster in a functional region. Several statistical tests have been developed, one of which is based on the popular Kulldorff scan statistic for spatial clustering of disease. We extended another popular spatial clustering method – Tango’s statistic – to genomic sequence data. An advantage of Tango’s method is that it is rapid to compute, and when single test statistic is computed, its distribution is well approximated by a scaled chi-square distribution, making computation of p-values very rapid. We compared the Type-I error rates and power of several clustering statistics, as well as the omnibus sequence kernel association test (SKAT). Although our version of Tango’s statistic, which we call “Kernel Distance” statistic, took approximately half the time to compute than the Kulldorff scan statistic, it had slightly less power than the scan statistic. Our results showed that the Ionita-Laza version of Kulldorff’s scan statistic had the greatest power over a range of clustering scenarios. PMID:23842950

Recording from two neurons: second-order stimulus reconstruction from spike trains and population coding.

PubMed

Fernandes, N M; Pinto, B D L; Almeida, L O B; Slaets, J F W; Köberle, R

2010-10-01

We study the reconstruction of visual stimuli from spike trains, representing the reconstructed stimulus by a Volterra series up to second order. We illustrate this procedure in a prominent example of spiking neurons, recording simultaneously from the two H1 neurons located in the lobula plate of the fly Chrysomya megacephala. The fly views two types of stimuli, corresponding to rotational and translational displacements. Second-order reconstructions require the manipulation of potentially very large matrices, which obstructs the use of this approach when there are many neurons. We avoid the computation and inversion of these matrices using a convenient set of basis functions to expand our variables in. This requires approximating the spike train four-point functions by combinations of two-point functions similar to relations, which would be true for gaussian stochastic processes. In our test case, this approximation does not reduce the quality of the reconstruction. The overall contribution to stimulus reconstruction of the second-order kernels, measured by the mean squared error, is only about 5% of the first-order contribution. Yet at specific stimulus-dependent instants, the addition of second-order kernels represents up to 100% improvement, but only for rotational stimuli. We present a perturbative scheme to facilitate the application of our method to weakly correlated neurons.

7 CFR 810.602 - Definition of other terms.

Code of Federal Regulations, 2010 CFR

2010-01-01

...) Damaged kernels. Kernels and pieces of flaxseed kernels that are badly ground-damaged, badly weather... instructions. Also, underdeveloped, shriveled, and small pieces of flaxseed kernels removed in properly... recleaning. (c) Heat-damaged kernels. Kernels and pieces of flaxseed kernels that are materially discolored...

Near-field limitations of Fresnel-regime coherent diffraction imaging

DOE PAGES

Pound, Benjamin A.; Barber, John L.; Nguyen, Kimberly; ...

2017-08-04

Coherent diffraction imaging (CDI) is a rapidly developing form of imaging that offers the potential of wavelength-limited resolution without image-forming lenses. In CDI, the intensity of the diffraction pattern is measured directly by the detector, and various iterative phase retrieval algorithms are used to “invert” the diffraction pattern and reconstruct a high-resolution image of the sample. But, there are certain requirements in CDI that must be met to reconstruct the object. Although most experiments are conducted in the “far-field”—or Fraunhofer—regime where the requirements are not as stringent, some experiments must be conducted in the “near field” where Fresnel diffraction mustmore » be considered. According to the derivation of Fresnel diffraction, successful reconstructions can only be obtained when the small-angle number, a derived quantity, is much less than one. We show, however, that it is not actually necessary to fulfill the small-angle condition. The Fresnel kernel well approximates the exact kernel in regions where the phase oscillates slowly, and in regions of fast oscillations, indicated by large A n , the error between kernels should be negligible due to stationary-phase arguments. Finally we verify, by experiment, this conclusion with a helium neon laser setup and show that it should hold at x-ray wavelengths as well.« less

A Distributed Learning Method for ℓ1-Regularized Kernel Machine over Wireless Sensor Networks

PubMed Central

Ji, Xinrong; Hou, Cuiqin; Hou, Yibin; Gao, Fang; Wang, Shulong

2016-01-01

In wireless sensor networks, centralized learning methods have very high communication costs and energy consumption. These are caused by the need to transmit scattered training examples from various sensor nodes to the central fusion center where a classifier or a regression machine is trained. To reduce the communication cost, a distributed learning method for a kernel machine that incorporates ℓ1 norm regularization (ℓ1-regularized) is investigated, and a novel distributed learning algorithm for the ℓ1-regularized kernel minimum mean squared error (KMSE) machine is proposed. The proposed algorithm relies on in-network processing and a collaboration that transmits the sparse model only between single-hop neighboring nodes. This paper evaluates the proposed algorithm with respect to the prediction accuracy, the sparse rate of model, the communication cost and the number of iterations on synthetic and real datasets. The simulation results show that the proposed algorithm can obtain approximately the same prediction accuracy as that obtained by the batch learning method. Moreover, it is significantly superior in terms of the sparse rate of model and communication cost, and it can converge with fewer iterations. Finally, an experiment conducted on a wireless sensor network (WSN) test platform further shows the advantages of the proposed algorithm with respect to communication cost. PMID:27376298

Near-field limitations of Fresnel-regime coherent diffraction imaging

NASA Astrophysics Data System (ADS)

Pound, Benjamin A.; Barber, John L.; Nguyen, Kimberly; Tyson, Matthew C.; Sandberg, Richard L.

2017-08-01

Coherent diffraction imaging (CDI) is a rapidly developing form of imaging that offers the potential of wavelength-limited resolution without image-forming lenses. In CDI, the intensity of the diffraction pattern is measured directly by the detector, and various iterative phase retrieval algorithms are used to "invert" the diffraction pattern and reconstruct a high-resolution image of the sample. However, there are certain requirements in CDI that must be met to reconstruct the object. Although most experiments are conducted in the "far-field"—or Fraunhofer—regime where the requirements are not as stringent, some experiments must be conducted in the "near field" where Fresnel diffraction must be considered. According to the derivation of Fresnel diffraction, successful reconstructions can only be obtained when the small-angle number, a derived quantity, is much less than one. We show, however, that it is not actually necessary to fulfill the small-angle condition. The Fresnel kernel well approximates the exact kernel in regions where the phase oscillates slowly, and in regions of fast oscillations, indicated by large A n , the error between kernels should be negligible due to stationary-phase arguments. We experimentally verify this conclusion with a helium neon laser setup and show that it should hold at x-ray wavelengths as well.

Kernel Abortion in Maize 1

PubMed Central

Hanft, Jonathan M.; Jones, Robert J.

1986-01-01

Kernels cultured in vitro were induced to abort by high temperature (35°C) and by culturing six kernels/cob piece. Aborting kernels failed to enter a linear phase of dry mass accumulation and had a final mass that was less than 6% of nonaborting field-grown kernels. Kernels induced to abort by high temperature failed to synthesize starch in the endosperm and had elevated sucrose concentrations and low fructose and glucose concentrations in the pedicel during early growth compared to nonaborting kernels. Kernels induced to abort by high temperature also had much lower pedicel soluble acid invertase activities than did nonaborting kernels. These results suggest that high temperature during the lag phase of kernel growth may impair the process of sucrose unloading in the pedicel by indirectly inhibiting soluble acid invertase activity and prevent starch synthesis in the endosperm. Kernels induced to abort by culturing six kernels/cob piece had reduced pedicel fructose, glucose, and sucrose concentrations compared to kernels from field-grown ears. These aborting kernels also had a lower pedicel soluble acid invertase activity compared to nonaborting kernels from the same cob piece and from field-grown ears. The low invertase activity in pedicel tissue of the aborting kernels was probably caused by a lack of substrate (sucrose) for the invertase to cleave due to the intense competition for available assimilates. In contrast to kernels cultured at 35°C, aborting kernels from cob pieces containing all six kernels accumulated starch in a linear fashion. These results indicate that kernels cultured six/cob piece abort because of an inadequate supply of sugar and are similar to apical kernels from field-grown ears that often abort prior to the onset of linear growth. PMID:16664846

7 CFR 810.1202 - Definition of other terms.

Code of Federal Regulations, 2010 CFR

2010-01-01

... kernels. Kernels, pieces of rye kernels, and other grains that are badly ground-damaged, badly weather.... Also, underdeveloped, shriveled, and small pieces of rye kernels removed in properly separating the...-damaged kernels. Kernels, pieces of rye kernels, and other grains that are materially discolored and...

Path integrals, supersymmetric quantum mechanics, and the Atiyah-Singer index theorem for twisted Dirac

NASA Astrophysics Data System (ADS)

Fine, Dana S.; Sawin, Stephen

2017-01-01

Feynman's time-slicing construction approximates the path integral by a product, determined by a partition of a finite time interval, of approximate propagators. This paper formulates general conditions to impose on a short-time approximation to the propagator in a general class of imaginary-time quantum mechanics on a Riemannian manifold which ensure that these products converge. The limit defines a path integral which agrees pointwise with the heat kernel for a generalized Laplacian. The result is a rigorous construction of the propagator for supersymmetric quantum mechanics, with potential, as a path integral. Further, the class of Laplacians includes the square of the twisted Dirac operator, which corresponds to an extension of N = 1/2 supersymmetric quantum mechanics. General results on the rate of convergence of the approximate path integrals suffice in this case to derive the local version of the Atiyah-Singer index theorem.

The Genetic Basis of Natural Variation in Kernel Size and Related Traits Using a Four-Way Cross Population in Maize.

PubMed

Chen, Jiafa; Zhang, Luyan; Liu, Songtao; Li, Zhimin; Huang, Rongrong; Li, Yongming; Cheng, Hongliang; Li, Xiantang; Zhou, Bo; Wu, Suowei; Chen, Wei; Wu, Jianyu; Ding, Junqiang

2016-01-01

Kernel size is an important component of grain yield in maize breeding programs. To extend the understanding on the genetic basis of kernel size traits (i.e., kernel length, kernel width and kernel thickness), we developed a set of four-way cross mapping population derived from four maize inbred lines with varied kernel sizes. In the present study, we investigated the genetic basis of natural variation in seed size and other components of maize yield (e.g., hundred kernel weight, number of rows per ear, number of kernels per row). In total, ten QTL affecting kernel size were identified, three of which (two for kernel length and one for kernel width) had stable expression in other components of maize yield. The possible genetic mechanism behind the trade-off of kernel size and yield components was discussed.

The Genetic Basis of Natural Variation in Kernel Size and Related Traits Using a Four-Way Cross Population in Maize

PubMed Central

Liu, Songtao; Li, Zhimin; Huang, Rongrong; Li, Yongming; Cheng, Hongliang; Li, Xiantang; Zhou, Bo; Wu, Suowei; Chen, Wei; Wu, Jianyu; Ding, Junqiang

2016-01-01

Kernel size is an important component of grain yield in maize breeding programs. To extend the understanding on the genetic basis of kernel size traits (i.e., kernel length, kernel width and kernel thickness), we developed a set of four-way cross mapping population derived from four maize inbred lines with varied kernel sizes. In the present study, we investigated the genetic basis of natural variation in seed size and other components of maize yield (e.g., hundred kernel weight, number of rows per ear, number of kernels per row). In total, ten QTL affecting kernel size were identified, three of which (two for kernel length and one for kernel width) had stable expression in other components of maize yield. The possible genetic mechanism behind the trade-off of kernel size and yield components was discussed. PMID:27070143

7 CFR 810.802 - Definition of other terms.

Code of Federal Regulations, 2010 CFR

2010-01-01

...) Damaged kernels. Kernels and pieces of grain kernels for which standards have been established under the.... (d) Heat-damaged kernels. Kernels and pieces of grain kernels for which standards have been...

7 CFR 981.408 - Inedible kernel.

Code of Federal Regulations, 2014 CFR

2014-01-01

... kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as... purposes of determining inedible kernels, pieces, or particles of almond kernels. [59 FR 39419, Aug. 3...

7 CFR 981.408 - Inedible kernel.

Code of Federal Regulations, 2011 CFR

2011-01-01

... kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as... purposes of determining inedible kernels, pieces, or particles of almond kernels. [59 FR 39419, Aug. 3...

7 CFR 981.408 - Inedible kernel.

Code of Federal Regulations, 2012 CFR

2012-01-01

... kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as... purposes of determining inedible kernels, pieces, or particles of almond kernels. [59 FR 39419, Aug. 3...

7 CFR 981.408 - Inedible kernel.

Code of Federal Regulations, 2013 CFR

2013-01-01

... kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as... purposes of determining inedible kernels, pieces, or particles of almond kernels. [59 FR 39419, Aug. 3...

Reconstruction of Sensory Stimuli Encoded with Integrate-and-Fire Neurons with Random Thresholds

PubMed Central

Lazar, Aurel A.; Pnevmatikakis, Eftychios A.

2013-01-01

We present a general approach to the reconstruction of sensory stimuli encoded with leaky integrate-and-fire neurons with random thresholds. The stimuli are modeled as elements of a Reproducing Kernel Hilbert Space. The reconstruction is based on finding a stimulus that minimizes a regularized quadratic optimality criterion. We discuss in detail the reconstruction of sensory stimuli modeled as absolutely continuous functions as well as stimuli with absolutely continuous first-order derivatives. Reconstruction results are presented for stimuli encoded with single as well as a population of neurons. Examples are given that demonstrate the performance of the reconstruction algorithms as a function of threshold variability. PMID:24077610

A mixture model for robust registration in Kinect sensor

NASA Astrophysics Data System (ADS)

Peng, Li; Zhou, Huabing; Zhu, Shengguo

2018-03-01

The Microsoft Kinect sensor has been widely used in many applications, but it suffers from the drawback of low registration precision between color image and depth image. In this paper, we present a robust method to improve the registration precision by a mixture model that can handle multiply images with the nonparametric model. We impose non-parametric geometrical constraints on the correspondence, as a prior distribution, in a reproducing kernel Hilbert space (RKHS).The estimation is performed by the EM algorithm which by also estimating the variance of the prior model is able to obtain good estimates. We illustrate the proposed method on the public available dataset. The experimental results show that our approach outperforms the baseline methods.

MO-FG-CAMPUS-TeP1-05: Rapid and Efficient 3D Dosimetry for End-To-End Patient-Specific QA of Rotational SBRT Deliveries Using a High-Resolution EPID

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

Yang, Y M; Han, B; Xing, L

2016-06-15

Purpose: EPID-based patient-specific quality assurance provides verification of the planning setup and delivery process that phantomless QA and log-file based virtual dosimetry methods cannot achieve. We present a method for EPID-based QA utilizing spatially-variant EPID response kernels that allows for direct calculation of the entrance fluence and 3D phantom dose. Methods: An EPID dosimetry system was utilized for 3D dose reconstruction in a cylindrical phantom for the purposes of end-to-end QA. Monte Carlo (MC) methods were used to generate pixel-specific point-spread functions (PSFs) characterizing the spatially non-uniform EPID portal response in the presence of phantom scatter. The spatially-variant PSFs weremore » decomposed into spatially-invariant basis PSFs with the symmetric central-axis kernel as the primary basis kernel and off-axis representing orthogonal perturbations in pixel-space. This compact and accurate characterization enables the use of a modified Richardson-Lucy deconvolution algorithm to directly reconstruct entrance fluence from EPID images without iterative scatter subtraction. High-resolution phantom dose kernels were cogenerated in MC with the PSFs enabling direct recalculation of the resulting phantom dose by rapid forward convolution once the entrance fluence was calculated. A Delta4 QA phantom was used to validate the dose reconstructed in this approach. Results: The spatially-invariant representation of the EPID response accurately reproduced the entrance fluence with >99.5% fidelity with a simultaneous reduction of >60% in computational overhead. 3D dose for 10{sub 6} voxels was reconstructed for the entire phantom geometry. A 3D global gamma analysis demonstrated a >95% pass rate at 3%/3mm. Conclusion: Our approach demonstrates the capabilities of an EPID-based end-to-end QA methodology that is more efficient than traditional EPID dosimetry methods. Displacing the point of measurement external to the QA phantom reduces the necessary complexity of the phantom itself while offering a method that is highly scalable and inherently generalizable to rotational and trajectory based deliveries. This research was partially supported by Varian.« less

A Novel Extreme Learning Machine Classification Model for e-Nose Application Based on the Multiple Kernel Approach.

PubMed

Jian, Yulin; Huang, Daoyu; Yan, Jia; Lu, Kun; Huang, Ying; Wen, Tailai; Zeng, Tanyue; Zhong, Shijie; Xie, Qilong

2017-06-19

A novel classification model, named the quantum-behaved particle swarm optimization (QPSO)-based weighted multiple kernel extreme learning machine (QWMK-ELM), is proposed in this paper. Experimental validation is carried out with two different electronic nose (e-nose) datasets. Being different from the existing multiple kernel extreme learning machine (MK-ELM) algorithms, the combination coefficients of base kernels are regarded as external parameters of single-hidden layer feedforward neural networks (SLFNs). The combination coefficients of base kernels, the model parameters of each base kernel, and the regularization parameter are optimized by QPSO simultaneously before implementing the kernel extreme learning machine (KELM) with the composite kernel function. Four types of common single kernel functions (Gaussian kernel, polynomial kernel, sigmoid kernel, and wavelet kernel) are utilized to constitute different composite kernel functions. Moreover, the method is also compared with other existing classification methods: extreme learning machine (ELM), kernel extreme learning machine (KELM), k-nearest neighbors (KNN), support vector machine (SVM), multi-layer perceptron (MLP), radical basis function neural network (RBFNN), and probabilistic neural network (PNN). The results have demonstrated that the proposed QWMK-ELM outperforms the aforementioned methods, not only in precision, but also in efficiency for gas classification.

Classification With Truncated Distance Kernel.

PubMed

Huang, Xiaolin; Suykens, Johan A K; Wang, Shuning; Hornegger, Joachim; Maier, Andreas

2018-05-01

This brief proposes a truncated distance (TL1) kernel, which results in a classifier that is nonlinear in the global region but is linear in each subregion. With this kernel, the subregion structure can be trained using all the training data and local linear classifiers can be established simultaneously. The TL1 kernel has good adaptiveness to nonlinearity and is suitable for problems which require different nonlinearities in different areas. Though the TL1 kernel is not positive semidefinite, some classical kernel learning methods are still applicable which means that the TL1 kernel can be directly used in standard toolboxes by replacing the kernel evaluation. In numerical experiments, the TL1 kernel with a pregiven parameter achieves similar or better performance than the radial basis function kernel with the parameter tuned by cross validation, implying the TL1 kernel a promising nonlinear kernel for classification tasks.

Test particle propagation in magnetostatic turbulence. 2: The local approximation method

NASA Technical Reports Server (NTRS)

Klimas, A. J.; Sandri, G.; Scudder, J. D.; Howell, D. R.

1976-01-01

An approximation method for statistical mechanics is presented and applied to a class of problems which contains a test particle propagation problem. All of the available basic equations used in statistical mechanics are cast in the form of a single equation which is integrodifferential in time and which is then used as the starting point for the construction of the local approximation method. Simplification of the integrodifferential equation is achieved through approximation to the Laplace transform of its kernel. The approximation is valid near the origin in the Laplace space and is based on the assumption of small Laplace variable. No other small parameter is necessary for the construction of this approximation method. The n'th level of approximation is constructed formally, and the first five levels of approximation are calculated explicitly. It is shown that each level of approximation is governed by an inhomogeneous partial differential equation in time with time independent operator coefficients. The order in time of these partial differential equations is found to increase as n does. At n = 0 the most local first order partial differential equation which governs the Markovian limit is regained.

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

PubMed

Gnecco, Giorgio; Kůrková, Věra; Sanguineti, Marcello

2011-03-01

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

Evaluation of accuracy of synthetic waveforms for subduction-zone earthquakes by using a land-ocean unified 3D structure model

NASA Astrophysics Data System (ADS)

Okamoto, Taro; Takenaka, Hiroshi; Nakamura, Takeshi

2018-06-01

Seismic wave propagation from shallow subduction-zone earthquakes can be strongly affected by 3D heterogeneous structures, such as oceanic water and sedimentary layers with irregular thicknesses. Synthetic waveforms must incorporate these effects so that they reproduce the characteristics of the observed waveforms properly. In this paper, we evaluate the accuracy of synthetic waveforms for small earthquakes in the source area of the 2011 Tohoku-Oki earthquake ( M JMA 9.0) at the Japan Trench. We compute the synthetic waveforms on the basis of a land-ocean unified 3D structure model using our heterogeneity, oceanic layer, and topography finite-difference method. In estimating the source parameters, we apply the first-motion augmented moment tensor (FAMT) method that we have recently proposed to minimize biases due to inappropriate source parameters. We find that, among several estimates, only the FAMT solutions are located very near the plate interface, which demonstrates the importance of using a 3D model for ensuring the self-consistency of the structure model, source position, and source mechanisms. Using several different filter passbands, we find that the full waveforms with periods longer than about 10 s can be reproduced well, while the degree of waveform fitting becomes worse for periods shorter than about 10 s. At periods around 4 s, the initial body waveforms can be modeled, but the later large-amplitude surface waves are difficult to reproduce correctly. The degree of waveform fitting depends on the source location, with better fittings for deep sources near land. We further examine the 3D sensitivity kernels: for the period of 12.8 s, the kernel shows a symmetric pattern with respect to the straight path between the source and the station, while for the period of 6.1 s, a curved pattern is obtained. Also, the range of the sensitive area becomes shallower for the latter case. Such a 3D spatial pattern cannot be predicted by 1D Earth models and indicates the strong effects of 3D heterogeneity on short-period ( ≲ 10s) waveforms. Thus, it would be necessary to consider such 3D effects when improving the structure and source models.

A Novel Extreme Learning Machine Classification Model for e-Nose Application Based on the Multiple Kernel Approach

PubMed Central

Jian, Yulin; Huang, Daoyu; Yan, Jia; Lu, Kun; Huang, Ying; Wen, Tailai; Zeng, Tanyue; Zhong, Shijie; Xie, Qilong

2017-01-01

A novel classification model, named the quantum-behaved particle swarm optimization (QPSO)-based weighted multiple kernel extreme learning machine (QWMK-ELM), is proposed in this paper. Experimental validation is carried out with two different electronic nose (e-nose) datasets. Being different from the existing multiple kernel extreme learning machine (MK-ELM) algorithms, the combination coefficients of base kernels are regarded as external parameters of single-hidden layer feedforward neural networks (SLFNs). The combination coefficients of base kernels, the model parameters of each base kernel, and the regularization parameter are optimized by QPSO simultaneously before implementing the kernel extreme learning machine (KELM) with the composite kernel function. Four types of common single kernel functions (Gaussian kernel, polynomial kernel, sigmoid kernel, and wavelet kernel) are utilized to constitute different composite kernel functions. Moreover, the method is also compared with other existing classification methods: extreme learning machine (ELM), kernel extreme learning machine (KELM), k-nearest neighbors (KNN), support vector machine (SVM), multi-layer perceptron (MLP), radical basis function neural network (RBFNN), and probabilistic neural network (PNN). The results have demonstrated that the proposed QWMK-ELM outperforms the aforementioned methods, not only in precision, but also in efficiency for gas classification. PMID:28629202

Electromagnetics. Volume 1, Number 4, October-December 1981.

DTIC Science & Technology

1981-01-01

terms. 1.6 Matrix and Operator Theory Integral equations have been cast in approximate numerical form by the moment method (MoM). In this numerical...introduced the eigenmode expansion method to find more properties of the SEM [3.4]. One defines eigenvalues and eigenmodes for the integral operator (kernel...exterior surface of the system. Mechanisms that play a role in the penetration are (1) diffusion through metal skins , (2) field leakage through

CMOS-based Stochastically Spiking Neural Network for Optimization under Uncertainties

DTIC Science & Technology

2017-03-01

inverse tangent characteristics at varying input voltage (VIN) [Fig. 3], thereby it is suitable for Kernel function implementation. By varying bias...cost function/constraint variables are generated based on inverse transform on CDF. In Fig. 5, F-1(u) for uniformly distributed random number u [0, 1...extracts random samples of x varying with CDF of F(x). In Fig. 6, we present a successive approximation (SA) circuit to evaluate inverse

Rapid simulation of spatial epidemics: a spectral method.

PubMed

Brand, Samuel P C; Tildesley, Michael J; Keeling, Matthew J

2015-04-07

Spatial structure and hence the spatial position of host populations plays a vital role in the spread of infection. In the majority of situations, it is only possible to predict the spatial spread of infection using simulation models, which can be computationally demanding especially for large population sizes. Here we develop an approximation method that vastly reduces this computational burden. We assume that the transmission rates between individuals or sub-populations are determined by a spatial transmission kernel. This kernel is assumed to be isotropic, such that the transmission rate is simply a function of the distance between susceptible and infectious individuals; as such this provides the ideal mechanism for modelling localised transmission in a spatial environment. We show that the spatial force of infection acting on all susceptibles can be represented as a spatial convolution between the transmission kernel and a spatially extended 'image' of the infection state. This representation allows the rapid calculation of stochastic rates of infection using fast-Fourier transform (FFT) routines, which greatly improves the computational efficiency of spatial simulations. We demonstrate the efficiency and accuracy of this fast spectral rate recalculation (FSR) method with two examples: an idealised scenario simulating an SIR-type epidemic outbreak amongst N habitats distributed across a two-dimensional plane; the spread of infection between US cattle farms, illustrating that the FSR method makes continental-scale outbreak forecasting feasible with desktop processing power. The latter model demonstrates which areas of the US are at consistently high risk for cattle-infections, although predictions of epidemic size are highly dependent on assumptions about the tail of the transmission kernel. Copyright © 2015 Elsevier Ltd. All rights reserved.

Unraveling multiple changes in complex climate time series using Bayesian inference

NASA Astrophysics Data System (ADS)

Berner, Nadine; Trauth, Martin H.; Holschneider, Matthias

2016-04-01

Change points in time series are perceived as heterogeneities in the statistical or dynamical characteristics of observations. Unraveling such transitions yields essential information for the understanding of the observed system. The precise detection and basic characterization of underlying changes is therefore of particular importance in environmental sciences. We present a kernel-based Bayesian inference approach to investigate direct as well as indirect climate observations for multiple generic transition events. In order to develop a diagnostic approach designed to capture a variety of natural processes, the basic statistical features of central tendency and dispersion are used to locally approximate a complex time series by a generic transition model. A Bayesian inversion approach is developed to robustly infer on the location and the generic patterns of such a transition. To systematically investigate time series for multiple changes occurring at different temporal scales, the Bayesian inversion is extended to a kernel-based inference approach. By introducing basic kernel measures, the kernel inference results are composed into a proxy probability to a posterior distribution of multiple transitions. Thus, based on a generic transition model a probability expression is derived that is capable to indicate multiple changes within a complex time series. We discuss the method's performance by investigating direct and indirect climate observations. The approach is applied to environmental time series (about 100 a), from the weather station in Tuscaloosa, Alabama, and confirms documented instrumentation changes. Moreover, the approach is used to investigate a set of complex terrigenous dust records from the ODP sites 659, 721/722 and 967 interpreted as climate indicators of the African region of the Plio-Pleistocene period (about 5 Ma). The detailed inference unravels multiple transitions underlying the indirect climate observations coinciding with established global climate events.

Lossy Wavefield Compression for Full-Waveform Inversion

NASA Astrophysics Data System (ADS)

Boehm, C.; Fichtner, A.; de la Puente, J.; Hanzich, M.

2015-12-01

We present lossy compression techniques, tailored to the inexact computation of sensitivity kernels, that significantly reduce the memory requirements of adjoint-based minimization schemes. Adjoint methods are a powerful tool to solve tomography problems in full-waveform inversion (FWI). Yet they face the challenge of massive memory requirements caused by the opposite directions of forward and adjoint simulations and the necessity to access both wavefields simultaneously during the computation of the sensitivity kernel. Thus, storage, I/O operations, and memory bandwidth become key topics in FWI. In this talk, we present strategies for the temporal and spatial compression of the forward wavefield. This comprises re-interpolation with coarse time steps and an adaptive polynomial degree of the spectral element shape functions. In addition, we predict the projection errors on a hierarchy of grids and re-quantize the residuals with an adaptive floating-point accuracy to improve the approximation. Furthermore, we use the first arrivals of adjoint waves to identify "shadow zones" that do not contribute to the sensitivity kernel at all. Updating and storing the wavefield within these shadow zones is skipped, which reduces memory requirements and computational costs at the same time. Compared to check-pointing, our approach has only a negligible computational overhead, utilizing the fact that a sufficiently accurate sensitivity kernel does not require a fully resolved forward wavefield. Furthermore, we use adaptive compression thresholds during the FWI iterations to ensure convergence. Numerical experiments on the reservoir scale and for the Western Mediterranean prove the high potential of this approach with an effective compression factor of 500-1000. Furthermore, it is computationally cheap and easy to integrate in both, finite-differences and finite-element wave propagation codes.

Digestibility of solvent-treated Jatropha curcas kernel by broiler chickens in Senegal.

PubMed

Nesseim, Thierry Daniel Tamsir; Dieng, Abdoulaye; Mergeai, Guy; Ndiaye, Saliou; Hornick, Jean-Luc

2015-12-01

Jatropha curcas is a drought-resistant shrub belonging to the Euphorbiaceae family. The kernel contains approximately 60 % lipid in dry matter, and the meal obtained after oil extraction could be an exceptional source of protein for family poultry farming, in the absence of curcin and, especially, some diterpene derivatives phorbol esters that are partially lipophilic. The nutrient digestibility of J. curcas kernel meal (JKM), obtained after partial physicochemical deoiling was thus evaluated in broiler chickens. Twenty broiler chickens, 6 weeks old, were maintained in individual metabolic cages and divided into four groups of five animals, according to a 4 × 4 Latin square design where deoiled JKM was incorporated into grinded corn at 0, 4, 8, and 12 % levels (diets 0, 4, 8, and 12 J), allowing measurement of nutrient digestibility by the differential method. The dry matter (DM) and organic matter (OM) digestibility of diets was affected to a low extent by JKM (85 and 86 % in 0 J and 81 % in 12 J, respectively) in such a way that DM and OM digestibility of JKM was estimated to be close to 50 %. The ether extract (EE) digestibility of JKM remained high, at about 90 %, while crude protein (CP) and crude fiber (CF) digestibility were largely impacted by JKM, with values closed to 40 % at the highest levels of incorporation. J. curcas kernel presents various nutrient digestibilities but has adverse effects on CP and CF digestibility of the diet. The effects of an additional heat or biological treatment on JKM remain to be assessed.

Gabor-based kernel PCA with fractional power polynomial models for face recognition.

PubMed

Liu, Chengjun

2004-05-01

This paper presents a novel Gabor-based kernel Principal Component Analysis (PCA) method by integrating the Gabor wavelet representation of face images and the kernel PCA method for face recognition. Gabor wavelets first derive desirable facial features characterized by spatial frequency, spatial locality, and orientation selectivity to cope with the variations due to illumination and facial expression changes. The kernel PCA method is then extended to include fractional power polynomial models for enhanced face recognition performance. A fractional power polynomial, however, does not necessarily define a kernel function, as it might not define a positive semidefinite Gram matrix. Note that the sigmoid kernels, one of the three classes of widely used kernel functions (polynomial kernels, Gaussian kernels, and sigmoid kernels), do not actually define a positive semidefinite Gram matrix either. Nevertheless, the sigmoid kernels have been successfully used in practice, such as in building support vector machines. In order to derive real kernel PCA features, we apply only those kernel PCA eigenvectors that are associated with positive eigenvalues. The feasibility of the Gabor-based kernel PCA method with fractional power polynomial models has been successfully tested on both frontal and pose-angled face recognition, using two data sets from the FERET database and the CMU PIE database, respectively. The FERET data set contains 600 frontal face images of 200 subjects, while the PIE data set consists of 680 images across five poses (left and right profiles, left and right half profiles, and frontal view) with two different facial expressions (neutral and smiling) of 68 subjects. The effectiveness of the Gabor-based kernel PCA method with fractional power polynomial models is shown in terms of both absolute performance indices and comparative performance against the PCA method, the kernel PCA method with polynomial kernels, the kernel PCA method with fractional power polynomial models, the Gabor wavelet-based PCA method, and the Gabor wavelet-based kernel PCA method with polynomial kernels.

Revision of laser-induced damage threshold evaluation from damage probability data

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

Bataviciute, Gintare; Grigas, Povilas; Smalakys, Linas

2013-04-15

In this study, the applicability of commonly used Damage Frequency Method (DFM) is addressed in the context of Laser-Induced Damage Threshold (LIDT) testing with pulsed lasers. A simplified computer model representing the statistical interaction between laser irradiation and randomly distributed damage precursors is applied for Monte Carlo experiments. The reproducibility of LIDT predicted from DFM is examined under both idealized and realistic laser irradiation conditions by performing numerical 1-on-1 tests. A widely accepted linear fitting resulted in systematic errors when estimating LIDT and its error bars. For the same purpose, a Bayesian approach was proposed. A novel concept of parametricmore » regression based on varying kernel and maximum likelihood fitting technique is introduced and studied. Such approach exhibited clear advantages over conventional linear fitting and led to more reproducible LIDT evaluation. Furthermore, LIDT error bars are obtained as a natural outcome of parametric fitting which exhibit realistic values. The proposed technique has been validated on two conventionally polished fused silica samples (355 nm, 5.7 ns).« less

A multi-label learning based kernel automatic recommendation method for support vector machine.

PubMed

Zhang, Xueying; Song, Qinbao

2015-01-01

Choosing an appropriate kernel is very important and critical when classifying a new problem with Support Vector Machine. So far, more attention has been paid on constructing new kernels and choosing suitable parameter values for a specific kernel function, but less on kernel selection. Furthermore, most of current kernel selection methods focus on seeking a best kernel with the highest classification accuracy via cross-validation, they are time consuming and ignore the differences among the number of support vectors and the CPU time of SVM with different kernels. Considering the tradeoff between classification success ratio and CPU time, there may be multiple kernel functions performing equally well on the same classification problem. Aiming to automatically select those appropriate kernel functions for a given data set, we propose a multi-label learning based kernel recommendation method built on the data characteristics. For each data set, the meta-knowledge data base is first created by extracting the feature vector of data characteristics and identifying the corresponding applicable kernel set. Then the kernel recommendation model is constructed on the generated meta-knowledge data base with the multi-label classification method. Finally, the appropriate kernel functions are recommended to a new data set by the recommendation model according to the characteristics of the new data set. Extensive experiments over 132 UCI benchmark data sets, with five different types of data set characteristics, eleven typical kernels (Linear, Polynomial, Radial Basis Function, Sigmoidal function, Laplace, Multiquadric, Rational Quadratic, Spherical, Spline, Wave and Circular), and five multi-label classification methods demonstrate that, compared with the existing kernel selection methods and the most widely used RBF kernel function, SVM with the kernel function recommended by our proposed method achieved the highest classification performance.

A Multi-Label Learning Based Kernel Automatic Recommendation Method for Support Vector Machine

PubMed Central

Zhang, Xueying; Song, Qinbao

2015-01-01

Choosing an appropriate kernel is very important and critical when classifying a new problem with Support Vector Machine. So far, more attention has been paid on constructing new kernels and choosing suitable parameter values for a specific kernel function, but less on kernel selection. Furthermore, most of current kernel selection methods focus on seeking a best kernel with the highest classification accuracy via cross-validation, they are time consuming and ignore the differences among the number of support vectors and the CPU time of SVM with different kernels. Considering the tradeoff between classification success ratio and CPU time, there may be multiple kernel functions performing equally well on the same classification problem. Aiming to automatically select those appropriate kernel functions for a given data set, we propose a multi-label learning based kernel recommendation method built on the data characteristics. For each data set, the meta-knowledge data base is first created by extracting the feature vector of data characteristics and identifying the corresponding applicable kernel set. Then the kernel recommendation model is constructed on the generated meta-knowledge data base with the multi-label classification method. Finally, the appropriate kernel functions are recommended to a new data set by the recommendation model according to the characteristics of the new data set. Extensive experiments over 132 UCI benchmark data sets, with five different types of data set characteristics, eleven typical kernels (Linear, Polynomial, Radial Basis Function, Sigmoidal function, Laplace, Multiquadric, Rational Quadratic, Spherical, Spline, Wave and Circular), and five multi-label classification methods demonstrate that, compared with the existing kernel selection methods and the most widely used RBF kernel function, SVM with the kernel function recommended by our proposed method achieved the highest classification performance. PMID:25893896

7 CFR 981.7 - Edible kernel.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 8 2010-01-01 2010-01-01 false Edible kernel. 981.7 Section 981.7 Agriculture... Regulating Handling Definitions § 981.7 Edible kernel. Edible kernel means a kernel, piece, or particle of almond kernel that is not inedible. [41 FR 26852, June 30, 1976] ...

Patient-specific Monte Carlo-based dose-kernel approach for inverse planning in afterloading brachytherapy.

PubMed

D'Amours, Michel; Pouliot, Jean; Dagnault, Anne; Verhaegen, Frank; Beaulieu, Luc

2011-12-01

Brachytherapy planning software relies on the Task Group report 43 dosimetry formalism. This formalism, based on a water approximation, neglects various heterogeneous materials present during treatment. Various studies have suggested that these heterogeneities should be taken into account to improve the treatment quality. The present study sought to demonstrate the feasibility of incorporating Monte Carlo (MC) dosimetry within an inverse planning algorithm to improve the dose conformity and increase the treatment quality. The method was based on precalculated dose kernels in full patient geometries, representing the dose distribution of a brachytherapy source at a single dwell position using MC simulations and the Geant4 toolkit. These dose kernels are used by the inverse planning by simulated annealing tool to produce a fast MC-based plan. A test was performed for an interstitial brachytherapy breast treatment using two different high-dose-rate brachytherapy sources: the microSelectron iridium-192 source and the electronic brachytherapy source Axxent operating at 50 kVp. A research version of the inverse planning by simulated annealing algorithm was combined with MC to provide a method to fully account for the heterogeneities in dose optimization, using the MC method. The effect of the water approximation was found to depend on photon energy, with greater dose attenuation for the lower energies of the Axxent source compared with iridium-192. For the latter, an underdosage of 5.1% for the dose received by 90% of the clinical target volume was found. A new method to optimize afterloading brachytherapy plans that uses MC dosimetric information was developed. Including computed tomography-based information in MC dosimetry in the inverse planning process was shown to take into account the full range of scatter and heterogeneity conditions. This led to significant dose differences compared with the Task Group report 43 approach for the Axxent source. Copyright © 2011 Elsevier Inc. All rights reserved.

Electronic polarization effect on low-frequency infrared and Raman spectra of aprotic solvent: Molecular dynamics simulation study with charge response kernel by second order Møller-Plesset perturbation method

NASA Astrophysics Data System (ADS)

Isegawa, Miho; Kato, Shigeki

2007-12-01

Low-frequency infrared (IR) and depolarized Raman scattering (DRS) spectra of acetonitrile, methylene chloride, and acetone liquids are simulated via molecular dynamics calculations with the charge response kernel (CRK) model obtained at the second order Møller-Plesset perturbation (MP2) level. For this purpose, the analytical second derivative technique for the MP2 energy is employed to evaluate the CRK matrices. The calculated IR spectra reasonably agree with the experiments. In particular, the agreement is excellent for acetone because the present CRK model well reproduces the experimental polarizability in the gas phase. The importance of interaction induced dipole moments in characterizing the spectral shapes is stressed. The DRS spectrum of acetone is mainly discussed because the experimental spectrum is available only for this molecule. The calculated spectrum is close to the experiment. The comparison of the present results with those by the multiple random telegraph model is also made. By decomposing the polarizability anisotropy time correlation function to the contributions from the permanent, induced polarizability and their cross term, a discrepancy from the previous calculations is observed in the sign of permanent-induce cross term contribution. The origin of this discrepancy is discussed by analyzing the correlation functions for acetonitrile.

Construction of non-Markovian coarse-grained models employing the Mori-Zwanzig formalism and iterative Boltzmann inversion

NASA Astrophysics Data System (ADS)

Yoshimoto, Yuta; Li, Zhen; Kinefuchi, Ikuya; Karniadakis, George Em

2017-12-01

We propose a new coarse-grained (CG) molecular simulation technique based on the Mori-Zwanzig (MZ) formalism along with the iterative Boltzmann inversion (IBI). Non-Markovian dissipative particle dynamics (NMDPD) taking into account memory effects is derived in a pairwise interaction form from the MZ-guided generalized Langevin equation. It is based on the introduction of auxiliary variables that allow for the replacement of a non-Markovian equation with a Markovian one in a higher dimensional space. We demonstrate that the NMDPD model exploiting MZ-guided memory kernels can successfully reproduce the dynamic properties such as the mean square displacement and velocity autocorrelation function of a Lennard-Jones system, as long as the memory kernels are appropriately evaluated based on the Volterra integral equation using the force-velocity and velocity-velocity correlations. Furthermore, we find that the IBI correction of a pair CG potential significantly improves the representation of static properties characterized by a radial distribution function and pressure, while it has little influence on the dynamic processes. Our findings suggest that combining the advantages of both the MZ formalism and IBI leads to an accurate representation of both the static and dynamic properties of microscopic systems that exhibit non-Markovian behavior.

Tensor manifold-based extreme learning machine for 2.5-D face recognition

NASA Astrophysics Data System (ADS)

Chong, Lee Ying; Ong, Thian Song; Teoh, Andrew Beng Jin

2018-01-01

We explore the use of the Gabor regional covariance matrix (GRCM), a flexible matrix-based descriptor that embeds the Gabor features in the covariance matrix, as a 2.5-D facial descriptor and an effective means of feature fusion for 2.5-D face recognition problems. Despite its promise, matching is not a trivial problem for GRCM since it is a special instance of a symmetric positive definite (SPD) matrix that resides in non-Euclidean space as a tensor manifold. This implies that GRCM is incompatible with the existing vector-based classifiers and distance matchers. Therefore, we bridge the gap of the GRCM and extreme learning machine (ELM), a vector-based classifier for the 2.5-D face recognition problem. We put forward a tensor manifold-compliant ELM and its two variants by embedding the SPD matrix randomly into reproducing kernel Hilbert space (RKHS) via tensor kernel functions. To preserve the pair-wise distance of the embedded data, we orthogonalize the random-embedded SPD matrix. Hence, classification can be done using a simple ridge regressor, an integrated component of ELM, on the random orthogonal RKHS. Experimental results show that our proposed method is able to improve the recognition performance and further enhance the computational efficiency.

7 CFR 810.2202 - Definition of other terms.

Code of Federal Regulations, 2014 CFR

2014-01-01

... kernels, foreign material, and shrunken and broken kernels. The sum of these three factors may not exceed... the removal of dockage and shrunken and broken kernels. (g) Heat-damaged kernels. Kernels, pieces of... sample after the removal of dockage and shrunken and broken kernels. (h) Other grains. Barley, corn...

7 CFR 981.8 - Inedible kernel.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 8 2010-01-01 2010-01-01 false Inedible kernel. 981.8 Section 981.8 Agriculture... Regulating Handling Definitions § 981.8 Inedible kernel. Inedible kernel means a kernel, piece, or particle of almond kernel with any defect scored as serious damage, or damage due to mold, gum, shrivel, or...

7 CFR 51.1415 - Inedible kernels.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 2 2010-01-01 2010-01-01 false Inedible kernels. 51.1415 Section 51.1415 Agriculture... Standards for Grades of Pecans in the Shell 1 Definitions § 51.1415 Inedible kernels. Inedible kernels means that the kernel or pieces of kernels are rancid, moldy, decayed, injured by insects or otherwise...

Geodesic regression for image time-series.

PubMed

Niethammer, Marc; Huang, Yang; Vialard, François-Xavier

2011-01-01

Registration of image-time series has so far been accomplished (i) by concatenating registrations between image pairs, (ii) by solving a joint estimation problem resulting in piecewise geodesic paths between image pairs, (iii) by kernel based local averaging or (iv) by augmenting the joint estimation with additional temporal irregularity penalties. Here, we propose a generative model extending least squares linear regression to the space of images by using a second-order dynamic formulation for image registration. Unlike previous approaches, the formulation allows for a compact representation of an approximation to the full spatio-temporal trajectory through its initial values. The method also opens up possibilities to design image-based approximation algorithms. The resulting optimization problem is solved using an adjoint method.

Study of multiband disordered systems using the typical medium dynamical cluster approximation

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

Zhang, Yi; Terletska, Hanna; Moore, C.

We generalize the typical medium dynamical cluster approximation to multiband disordered systems. Using our extended formalism, we perform a systematic study of the nonlocal correlation effects induced by disorder on the density of states and the mobility edge of the three-dimensional two-band Anderson model. We include interband and intraband hopping and an intraband disorder potential. Our results are consistent with those obtained by the transfer matrix and the kernel polynomial methods. We also apply the method to K xFe 2-ySe 2 with Fe vacancies. Despite the strong vacancy disorder and anisotropy, we find the material is not an Anderson insulator.more » Moreover our results demonstrate the application of the typical medium dynamical cluster approximation method to study Anderson localization in real materials.« less

Study of multiband disordered systems using the typical medium dynamical cluster approximation

DOE PAGES

Zhang, Yi; Terletska, Hanna; Moore, C.; ...

2015-11-06

We generalize the typical medium dynamical cluster approximation to multiband disordered systems. Using our extended formalism, we perform a systematic study of the nonlocal correlation effects induced by disorder on the density of states and the mobility edge of the three-dimensional two-band Anderson model. We include interband and intraband hopping and an intraband disorder potential. Our results are consistent with those obtained by the transfer matrix and the kernel polynomial methods. We also apply the method to K xFe 2-ySe 2 with Fe vacancies. Despite the strong vacancy disorder and anisotropy, we find the material is not an Anderson insulator.more » Moreover our results demonstrate the application of the typical medium dynamical cluster approximation method to study Anderson localization in real materials.« less

Unconventional protein sources: apricot seed kernels.

PubMed

Gabrial, G N; El-Nahry, F I; Awadalla, M Z; Girgis, S M

1981-09-01

Hamawy apricot seed kernels (sweet), Amar apricot seed kernels (bitter) and treated Amar apricot kernels (bitterness removed) were evaluated biochemically. All kernels were found to be high in fat (42.2--50.91%), protein (23.74--25.70%) and fiber (15.08--18.02%). Phosphorus, calcium, and iron were determined in all experimental samples. The three different apricot seed kernels were used for extensive study including the qualitative determination of the amino acid constituents by acid hydrolysis, quantitative determination of some amino acids, and biological evaluation of the kernel proteins in order to use them as new protein sources. Weanling albino rats failed to grow on diets containing the Amar apricot seed kernels due to low food consumption because of its bitterness. There was no loss in weight in that case. The Protein Efficiency Ratio data and blood analysis results showed the Hamawy apricot seed kernels to be higher in biological value than treated apricot seed kernels. The Net Protein Ratio data which accounts for both weight, maintenance and growth showed the treated apricot seed kernels to be higher in biological value than both Hamawy and Amar kernels. The Net Protein Ratio for the last two kernels were nearly equal.

An introduction to kernel-based learning algorithms.

PubMed

Müller, K R; Mika, S; Rätsch, G; Tsuda, K; Schölkopf, B

2001-01-01

This paper provides an introduction to support vector machines, kernel Fisher discriminant analysis, and kernel principal component analysis, as examples for successful kernel-based learning methods. We first give a short background about Vapnik-Chervonenkis theory and kernel feature spaces and then proceed to kernel based learning in supervised and unsupervised scenarios including practical and algorithmic considerations. We illustrate the usefulness of kernel algorithms by discussing applications such as optical character recognition and DNA analysis.

7 CFR 981.408 - Inedible kernel.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 8 2010-01-01 2010-01-01 false Inedible kernel. 981.408 Section 981.408 Agriculture... Administrative Rules and Regulations § 981.408 Inedible kernel. Pursuant to § 981.8, the definition of inedible kernel is modified to mean a kernel, piece, or particle of almond kernel with any defect scored as...

Design of CT reconstruction kernel specifically for clinical lung imaging

NASA Astrophysics Data System (ADS)

Cody, Dianna D.; Hsieh, Jiang; Gladish, Gregory W.

2005-04-01

In this study we developed a new reconstruction kernel specifically for chest CT imaging. An experimental flat-panel CT scanner was used on large dogs to produce 'ground-truth" reference chest CT images. These dogs were also examined using a clinical 16-slice CT scanner. We concluded from the dog images acquired on the clinical scanner that the loss of subtle lung structures was due mostly to the presence of the background noise texture when using currently available reconstruction kernels. This qualitative evaluation of the dog CT images prompted the design of a new recon kernel. This new kernel consisted of the combination of a low-pass and a high-pass kernel to produce a new reconstruction kernel, called the 'Hybrid" kernel. The performance of this Hybrid kernel fell between the two kernels on which it was based, as expected. This Hybrid kernel was also applied to a set of 50 patient data sets; the analysis of these clinical images is underway. We are hopeful that this Hybrid kernel will produce clinical images with an acceptable tradeoff of lung detail, reliable HU, and image noise.

Quality changes in macadamia kernel between harvest and farm-gate.

PubMed

Walton, David A; Wallace, Helen M

2011-02-01

Macadamia integrifolia, Macadamia tetraphylla and their hybrids are cultivated for their edible kernels. After harvest, nuts-in-shell are partially dried on-farm and sorted to eliminate poor-quality kernels before consignment to a processor. During these operations, kernel quality may be lost. In this study, macadamia nuts-in-shell were sampled at five points of an on-farm postharvest handling chain from dehusking to the final storage silo to assess quality loss prior to consignment. Shoulder damage, weight of pieces and unsound kernel were assessed for raw kernels, and colour, mottled colour and surface damage for roasted kernels. Shoulder damage, weight of pieces and unsound kernel for raw kernels increased significantly between the dehusker and the final silo. Roasted kernels displayed a significant increase in dark colour, mottled colour and surface damage during on-farm handling. Significant loss of macadamia kernel quality occurred on a commercial farm during sorting and storage of nuts-in-shell before nuts were consigned to a processor. Nuts-in-shell should be dried as quickly as possible and on-farm handling minimised to maintain optimum kernel quality. 2010 Society of Chemical Industry.

A new discriminative kernel from probabilistic models.

PubMed

Tsuda, Koji; Kawanabe, Motoaki; Rätsch, Gunnar; Sonnenburg, Sören; Müller, Klaus-Robert

2002-10-01

Recently, Jaakkola and Haussler (1999) proposed a method for constructing kernel functions from probabilistic models. Their so-called Fisher kernel has been combined with discriminative classifiers such as support vector machines and applied successfully in, for example, DNA and protein analysis. Whereas the Fisher kernel is calculated from the marginal log-likelihood, we propose the TOP kernel derived; from tangent vectors of posterior log-odds. Furthermore, we develop a theoretical framework on feature extractors from probabilistic models and use it for analyzing the TOP kernel. In experiments, our new discriminative TOP kernel compares favorably to the Fisher kernel.

Metabolites Identified during Varied Doses of Aspergillus Species in Zea mays Grains, and Their Correlation with Aflatoxin Levels

PubMed Central

Chrysanthopoulos, Panagiotis K.; Hodson, Mark P.; Darnell, Ross; Korie, Sam

2018-01-01

Aflatoxin contamination is associated with the development of aflatoxigenic fungi such as Aspergillus flavus and A. parasiticus on food grains. This study was aimed at investigating metabolites produced during fungal development on maize and their correlation with aflatoxin levels. Maize cobs were harvested at R3 (milk), R4 (dough), and R5 (dent) stages of maturity. Individual kernels were inoculated in petri dishes with four doses of fungal spores. Fungal colonisation, metabolite profile, and aflatoxin levels were examined. Grain colonisation decreased with kernel maturity: milk-, dough-, and dent-stage kernels by approximately 100%, 60%, and 30% respectively. Aflatoxin levels increased with dose at dough and dent stages. Polar metabolites including alanine, proline, serine, valine, inositol, iso-leucine, sucrose, fructose, trehalose, turanose, mannitol, glycerol, arabitol, inositol, myo-inositol, and some intermediates of the tricarboxylic acid cycle (TCA—also known as citric acid or Krebs cycle) were important for dose classification. Important non-polar metabolites included arachidic, palmitic, stearic, 3,4-xylylic, and margaric acids. Aflatoxin levels correlated with levels of several polar metabolites. The strongest positive and negative correlations were with arabitol (R = 0.48) and turanose and (R = −0.53), respectively. Several metabolites were interconnected with the TCA; interconnections of the metabolites with the TCA cycle varied depending upon the grain maturity. PMID:29735944

Metabolites Identified during Varied Doses of Aspergillus Species in Zea mays Grains, and Their Correlation with Aflatoxin Levels.

PubMed

Falade, Titilayo D O; Chrysanthopoulos, Panagiotis K; Hodson, Mark P; Sultanbawa, Yasmina; Fletcher, Mary; Darnell, Ross; Korie, Sam; Fox, Glen

2018-05-07

Aflatoxin contamination is associated with the development of aflatoxigenic fungi such as Aspergillus flavus and A. parasiticus on food grains. This study was aimed at investigating metabolites produced during fungal development on maize and their correlation with aflatoxin levels. Maize cobs were harvested at R3 (milk), R4 (dough), and R5 (dent) stages of maturity. Individual kernels were inoculated in petri dishes with four doses of fungal spores. Fungal colonisation, metabolite profile, and aflatoxin levels were examined. Grain colonisation decreased with kernel maturity: milk-, dough-, and dent-stage kernels by approximately 100%, 60%, and 30% respectively. Aflatoxin levels increased with dose at dough and dent stages. Polar metabolites including alanine, proline, serine, valine, inositol, iso-leucine, sucrose, fructose, trehalose, turanose, mannitol, glycerol, arabitol, inositol, myo-inositol, and some intermediates of the tricarboxylic acid cycle (TCA—also known as citric acid or Krebs cycle) were important for dose classification. Important non-polar metabolites included arachidic, palmitic, stearic, 3,4-xylylic, and margaric acids. Aflatoxin levels correlated with levels of several polar metabolites. The strongest positive and negative correlations were with arabitol ( R = 0.48) and turanose and ( R = −0.53), respectively. Several metabolites were interconnected with the TCA; interconnections of the metabolites with the TCA cycle varied depending upon the grain maturity.

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

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.

Study on Temperature and Synthetic Compensation of Piezo-Resistive Differential Pressure Sensors by Coupled Simulated Annealing and Simplex Optimized Kernel Extreme Learning Machine

PubMed Central

Li, Ji; Hu, Guoqing; Zhou, Yonghong; Zou, Chong; Peng, Wei; Alam SM, Jahangir

2017-01-01

As a high performance-cost ratio solution for differential pressure measurement, piezo-resistive differential pressure sensors are widely used in engineering processes. However, their performance is severely affected by the environmental temperature and the static pressure applied to them. In order to modify the non-linear measuring characteristics of the piezo-resistive differential pressure sensor, compensation actions should synthetically consider these two aspects. Advantages such as nonlinear approximation capability, highly desirable generalization ability and computational efficiency make the kernel extreme learning machine (KELM) a practical approach for this critical task. Since the KELM model is intrinsically sensitive to the regularization parameter and the kernel parameter, a searching scheme combining the coupled simulated annealing (CSA) algorithm and the Nelder-Mead simplex algorithm is adopted to find an optimal KLEM parameter set. A calibration experiment at different working pressure levels was conducted within the temperature range to assess the proposed method. In comparison with other compensation models such as the back-propagation neural network (BP), radius basis neural network (RBF), particle swarm optimization optimized support vector machine (PSO-SVM), particle swarm optimization optimized least squares support vector machine (PSO-LSSVM) and extreme learning machine (ELM), the compensation results show that the presented compensation algorithm exhibits a more satisfactory performance with respect to temperature compensation and synthetic compensation problems. PMID:28422080

Surface engineering of low enriched uranium-molybdenum

NASA Astrophysics Data System (ADS)

Leenaers, A.; Van den Berghe, S.; Detavernier, C.

2013-09-01

Recent attempts to qualify the LEU(Mo) dispersion plate fuel with Si addition to the Al matrix up to high power and burn-up have not yet been successful due to unacceptable fuel plate swelling at a local burn-up above 60% 235U. The root cause of the failures is clearly related directly to the formation of the U(Mo)-Al(Si) interaction layer. Excessive formation of these layers around the fuel kernels severely weakens the local mechanical integrity and eventually leads to pillowing of the plate. In 2008, SCK·CEN has launched the SELENIUM U(Mo) dispersion fuel development project in an attempt to find an alternative way to reduce the interaction between U(Mo) fuel kernels and the Al matrix to a significantly low level: by applying a coating on the U(Mo) kernels. Two fuel plates containing 8gU/cc U(Mo) coated with respectively 600 nm Si and 1000 nm ZrN in a pure Al matrix were manufactured. These plates were irradiated in the BR2 reactor up to a maximum heat flux of 470 W/cm2 until a maximum local burn-up of approximately 70% 235U (˜50% plate average) was reached. Awaiting the PIE results, the advantages of applying a coating are discussed in this paper through annealing experiments and TRIM (the Transport of Ions in Matter) calculations.

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.

Study on Temperature and Synthetic Compensation of Piezo-Resistive Differential Pressure Sensors by Coupled Simulated Annealing and Simplex Optimized Kernel Extreme Learning Machine.

PubMed

Li, Ji; Hu, Guoqing; Zhou, Yonghong; Zou, Chong; Peng, Wei; Alam Sm, Jahangir

2017-04-19

As a high performance-cost ratio solution for differential pressure measurement, piezo-resistive differential pressure sensors are widely used in engineering processes. However, their performance is severely affected by the environmental temperature and the static pressure applied to them. In order to modify the non-linear measuring characteristics of the piezo-resistive differential pressure sensor, compensation actions should synthetically consider these two aspects. Advantages such as nonlinear approximation capability, highly desirable generalization ability and computational efficiency make the kernel extreme learning machine (KELM) a practical approach for this critical task. Since the KELM model is intrinsically sensitive to the regularization parameter and the kernel parameter, a searching scheme combining the coupled simulated annealing (CSA) algorithm and the Nelder-Mead simplex algorithm is adopted to find an optimal KLEM parameter set. A calibration experiment at different working pressure levels was conducted within the temperature range to assess the proposed method. In comparison with other compensation models such as the back-propagation neural network (BP), radius basis neural network (RBF), particle swarm optimization optimized support vector machine (PSO-SVM), particle swarm optimization optimized least squares support vector machine (PSO-LSSVM) and extreme learning machine (ELM), the compensation results show that the presented compensation algorithm exhibits a more satisfactory performance with respect to temperature compensation and synthetic compensation problems.

FastSKAT: Sequence kernel association tests for very large sets of markers.

PubMed

Lumley, Thomas; Brody, Jennifer; Peloso, Gina; Morrison, Alanna; Rice, Kenneth

2018-06-22

The sequence kernel association test (SKAT) is widely used to test for associations between a phenotype and a set of genetic variants that are usually rare. Evaluating tail probabilities or quantiles of the null distribution for SKAT requires computing the eigenvalues of a matrix related to the genotype covariance between markers. Extracting the full set of eigenvalues of this matrix (an n×n matrix, for n subjects) has computational complexity proportional to n 3 . As SKAT is often used when n>104, this step becomes a major bottleneck in its use in practice. We therefore propose fastSKAT, a new computationally inexpensive but accurate approximations to the tail probabilities, in which the k largest eigenvalues of a weighted genotype covariance matrix or the largest singular values of a weighted genotype matrix are extracted, and a single term based on the Satterthwaite approximation is used for the remaining eigenvalues. While the method is not particularly sensitive to the choice of k, we also describe how to choose its value, and show how fastSKAT can automatically alert users to the rare cases where the choice may affect results. As well as providing faster implementation of SKAT, the new method also enables entirely new applications of SKAT that were not possible before; we give examples grouping variants by topologically associating domains, and comparing chromosome-wide association by class of histone marker. © 2018 WILEY PERIODICALS, INC.

Mass functions from the excursion set model

NASA Astrophysics Data System (ADS)

Hiotelis, Nicos; Del Popolo, Antonino

2017-11-01

Aims: We aim to study the stochastic evolution of the smoothed overdensity δ at scale S of the form δ(S) = ∫0S K(S,u)dW(u), where K is a kernel and dW is the usual Wiener process. Methods: For a Gaussian density field, smoothed by the top-hat filter, in real space, we used a simple kernel that gives the correct correlation between scales. A Monte Carlo procedure was used to construct random walks and to calculate first crossing distributions and consequently mass functions for a constant barrier. Results: We show that the evolution considered here improves the agreement with the results of N-body simulations relative to analytical approximations which have been proposed from the same problem by other authors. In fact, we show that an evolution which is fully consistent with the ideas of the excursion set model, describes accurately the mass function of dark matter haloes for values of ν ≤ 1 and underestimates the number of larger haloes. Finally, we show that a constant threshold of collapse, lower than it is usually used, it is able to produce a mass function which approximates the results of N-body simulations for a variety of redshifts and for a wide range of masses. Conclusions: A mass function in good agreement with N-body simulations can be obtained analytically using a lower than usual constant collapse threshold.

Integration of multi-array sensors and support vector machines for the detection and classification of organophosphate nerve agents

NASA Astrophysics Data System (ADS)

Land, Walker H., Jr.; Sadik, Omowunmi A.; Embrechts, Mark J.; Leibensperger, Dale; Wong, Lut; Wanekaya, Adam; Uematsu, Michiko

2003-08-01

Due to the increased threats of chemical and biological weapons of mass destruction (WMD) by international terrorist organizations, a significant effort is underway to develop tools that can be used to detect and effectively combat biochemical warfare. Furthermore, recent events have highlighted awareness that chemical and biological agents (CBAs) may become the preferred, cheap alternative WMD, because these agents can effectively attack large populations while leaving infrastructures intact. Despite the availability of numerous sensing devices, intelligent hybrid sensors that can detect and degrade CBAs are virtually nonexistent. This paper reports the integration of multi-array sensors with Support Vector Machines (SVMs) for the detection of organophosphates nerve agents using parathion and dichlorvos as model stimulants compounds. SVMs were used for the design and evaluation of new and more accurate data extraction, preprocessing and classification. Experimental results for the paradigms developed using Structural Risk Minimization, show a significant increase in classification accuracy when compared to the existing AromaScan baseline system. Specifically, the results of this research has demonstrated that, for the Parathion versus Dichlorvos pair, when compared to the AromaScan baseline system: (1) a 23% improvement in the overall ROC Az index using the S2000 kernel, with similar improvements with the Gaussian and polynomial (of degree 2) kernels, (2) a significant 173% improvement in specificity with the S2000 kernel. This means that the number of false negative errors were reduced by 173%, while making no false positive errors, when compared to the AromaScan base line performance. (3) The Gaussian and polynomial kernels demonstrated similar specificity at 100% sensitivity. All SVM classifiers provided essentially perfect classification performance for the Dichlorvos versus Trichlorfon pair. For the most difficult classification task, the Parathion versus Paraoxon pair, the following results were achieved (using the three SVM kernels: (1) ROC Az indices from approximately 93% to greater than 99%, (2) partial Az values from ~79% to 93%, (3) specificities from 76% to ~84% at 100 and 98% sensitivity, and (4) PPVs from 73% to ~84% at 100% and 98% sensitivities. These are excellent results, considering only one atom differentiates these nerve agents.

Home range and survival of breeding painted buntings on Sapelo Island, Georgia

USGS Publications Warehouse

Springborn, E.G.; Meyers, J.M.

2005-01-01

The southeastern United States population of the painted bunting (Passerina ciris) has decreased approximately 75% from 1966-1996 based on Breeding Bird Survey trends. Partners in Flight guidelines recommend painted bunting conservation as a high priority with a need for management by state and federal agencies. Basic information on home range and survival of breeding painted buntings will provide managers with required habitat types and estimates of land areas necessary to maintain minimum population sizes for this species. We radiotracked after-second-year male and after-hatching-year female buntings on Sapelo Island, Georgia, during the breeding seasons (late April-early August) of 1997 and 1998. We used the animal movement extension in ArcView to determine fixed-kernel home range in an unmanaged maritime shrub and managed 60-80-year-old pine (Pinus spp.)-oak Quercus spp.) forest. Using the Kaplan-Meier method, we estimated an adult breeding season survival of 1.00 for males (n = 36) and 0.94 (SE = 0.18) for females(n=27). Painted bunting home ranges were smaller in unmanaged maritime shrub (female: kernel (x) over bar = 3.5 ha [95% CI: 2.5-4.51; male: kernel (x) over bar = 3.1 ha [95% CI: 2.3-3.9]) compared to those in managed pine-oak forests (female: kernel (x) over bar = 4.7 ha [95% CI: 2.8-6.6]; male: kernel (x) over bar = 7.0 ha [95% CI: 4.9-9.1]). Buntings nesting in the managed pine-oak forest flew long distances (>= 300 m) to forage in salt marshes, freshwater wetlands, and moist forest clearings. In maritime shrub buntings occupied a compact area and rarely moved long distances. The painted bunting population of Sapelo Island requires conservation of maritime shrub as potential optimum nesting habitat and management of nesting habitat in open-canopy pine-oak sawtimber forests by periodic prescribed fire (every 4-6 years) and timber thinning within a landscape that contains salt marsh or freshwater wetland openings within 700 m of those forests.

Earth Structure, Ice Mass Changes, and the Local Dynamic Geoid

NASA Astrophysics Data System (ADS)

Harig, C.; Simons, F. J.

2014-12-01

Spherical Slepian localization functions are a useful method for studying regional mass changes observed by satellite gravimetry. By projecting data onto a sparse basis set, the local field can be estimated more easily than with the full spherical harmonic basis. We have used this method previously to estimate the ice mass change in Greenland from GRACE data, and it can also be applied to other planetary problems such as global magnetic fields. Earth's static geoid, in contrast to the time-variable field, is in large part related to the internal density and rheological structure of the Earth. Past studies have used dynamic geoid kernels to relate this density structure and the internal deformation it induces to the surface geopotential at large scales. These now classical studies of the eighties and nineties were able to estimate the mantle's radial rheological profile, placing constraints on the ratio between upper and lower mantle viscosity. By combining these two methods, spherical Slepian localization and dynamic geoid kernels, we have created local dynamic geoid kernels which are sensitive only to density variations within an area of interest. With these kernels we can estimate the approximate local radial rheological structure that best explains the locally observed geoid on a regional basis. First-order differences of the regional mantle viscosity structure are accessible to this technique. In this contribution we present our latest, as yet unpublished results on the geographical and temporal pattern of ice mass changes in Antarctica over the past decade, and we introduce a new approach to extract regional information about the internal structure of the Earth from the static global gravity field. Both sets of results are linked in terms of the relevant physics, but also in being developed from the marriage of Slepian functions and geoid kernels. We make predictions on the utility of our approach to derive fully three-dimensional rheological Earth models, to be used for corrections for glacio-isostatic adjustment, as necessary for the interpretation of time-variable gravity observations in terms of ice sheet mass-balance studies.

Increasing accuracy of dispersal kernels in grid-based population models

USGS Publications Warehouse

Slone, D.H.

2011-01-01

Dispersal kernels in grid-based population models specify the proportion, distance and direction of movements within the model landscape. Spatial errors in dispersal kernels can have large compounding effects on model accuracy. Circular Gaussian and Laplacian dispersal kernels at a range of spatial resolutions were investigated, and methods for minimizing errors caused by the discretizing process were explored. Kernels of progressively smaller sizes relative to the landscape grid size were calculated using cell-integration and cell-center methods. These kernels were convolved repeatedly, and the final distribution was compared with a reference analytical solution. For large Gaussian kernels (σ > 10 cells), the total kernel error was <10 &sup-11; compared to analytical results. Using an invasion model that tracked the time a population took to reach a defined goal, the discrete model results were comparable to the analytical reference. With Gaussian kernels that had σ ≤ 0.12 using the cell integration method, or σ ≤ 0.22 using the cell center method, the kernel error was greater than 10%, which resulted in invasion times that were orders of magnitude different than theoretical results. A goal-seeking routine was developed to adjust the kernels to minimize overall error. With this, corrections for small kernels were found that decreased overall kernel error to <10-11 and invasion time error to <5%.

Magnetic field of the Earth

NASA Astrophysics Data System (ADS)

Popov, Aleksey

2013-04-01

The magnetic field of the Earth has global meaning for a life on the Earth. The world geophysical science explains: - occurrence of a magnetic field of the Earth it is transformation of kinetic energy of movements of the fused iron in the liquid core of Earth - into the magnetic energy; - the warming up of a kernel of the Earth occurs due to radioactive disintegration of elements, with excretion of thermal energy. The world science does not define the reasons: - drift of a magnetic dipole on 0,2 a year to the West; - drift of lithospheric slabs and continents. The author offers: an alternative variant existing in a world science the theories "Geodynamo" - it is the theory « the Magnetic field of the Earth », created on the basis of physical laws. Education of a magnetic field of the Earth occurs at moving the electric charge located in a liquid kernel, at rotation of the Earth. At calculation of a magnetic field is used law the Bio Savara for a ring electric current: dB = . Magnetic induction in a kernel of the Earth: B = 2,58 Gs. According to the law of electromagnetic induction the Faradey, rotation of a iron kernel of the Earth in magnetic field causes occurrence of an electric field Emf which moves electrons from the center of a kernel towards the mantle. So of arise the radial electric currents. The magnetic field amplifies the iron of mantle and a kernel of the Earth. As a result of action of a radial electric field the electrons will flow from the center of a kernel in a layer of an electric charge. The central part of a kernel represents the field with a positive electric charge, which creates inverse magnetic field Binv and Emfinv When ?mfinv = ?mf ; ?inv = B, there will be an inversion a magnetic field of the Earth. It is a fact: drift of a magnetic dipole of the Earth in the western direction approximately 0,2 longitude, into a year. Radial electric currents a actions with the basic magnetic field of a Earth - it turn a kernel. It coincides with laws of electromagnetism. According to a rule of the left hand: if the magnetic field in a kernel is directed to drawing, electric current are directed to an axis of rotation of the Earth, - a action of force clockwise (to West). Definition of the force causing drift a kernel according to the law of Ampere F = IBlsin. Powerful force 3,5 × 1012 Nyton, what makes drift of the central part of a kernel of the Earth on 0,2 the longitude in year to West, and also it is engine of the mechanism of movement of slabs together with continents. Movement of a core of the Earth carry out around of a terrestrial axis one circulation in the western direction in 2000 of years. Linear speed of rotation of a kernel concerning a mantle on border the mantle a kernel: V = × 3,471 × 10 = 3,818 × 10 m/s = 33 m/day = 12 km/years. Considering greater viscosity of a mantle, the powerful energy at rotation of a kernel seize a mantle and lithospheric slabs and makes their collisions as a result of which there are earthquakes and volcano. Continents Northern and Southern America every year separate from the Europe and Africa on several centimeters. Atlantic ocean as a result of movement of these slabs with such speed was formed for 200 million years, that in comparison with the age of the Earth - several billions years, not so long time. Drift of a kernel in the western direction is a principal cause of delay of speed of rotation of the Earth. Flow of radial electric currents allot according to the law of Joule - Lenz, the quantity of warmth : Q = I2Rt = IUt, of thermal energy 6,92 × 1017 calories/year. This defines heating of a kernel and the Earth as a whole. In the valley of the median-Atlantic ridge having numerous volcanos, the lava flow constantly thus warm up waters of Atlantic ocean. It is a fact the warm current Gulf Stream. Thawing of a permafrost and ices of Arctic ocean, of glaciers of Greenland and Antarctica is acknowledgement: the warmth of earth defines character of thawing of glaciers and a permafrost. This is a global warming. The version of the author: the periods of inversion of a magnetic field of the Earth determine cycles of the Ice Age. At inversions of a magnetic field when B=0, radial electric currents are small or are absent, excretion of thermal energy minimally or an equal to zero,it is the beginning of the cooling the Earth and offensive of the Ice Age. Disappearance warm current Gulf Stream warming the north of the Europe and Canada. Drift of a magnetic dipole of the Earth in a rotation the opposite to rotation of the Earth, is acknowledgement of drift of a kernel of the Earth in a rotation the opposite to rotation of the Earth and is acknowledgement of the theory « the Magnetic field of the Earth ». The author continues to develop the theory « the Magnetic field of the Earth » and invites geophysicists to accept in it participation in it.

Anthraquinones isolated from the browned Chinese chestnut kernels (Castanea mollissima blume)

NASA Astrophysics Data System (ADS)

Zhang, Y. L.; Qi, J. H.; Qin, L.; Wang, F.; Pang, M. X.

2016-08-01

Anthraquinones (AQS) represent a group of secondary metallic products in plants. AQS are often naturally occurring in plants and microorganisms. In a previous study, we found that AQS were produced by enzymatic browning reaction in Chinese chestnut kernels. To find out whether non-enzymatic browning reaction in the kernels could produce AQS too, AQS were extracted from three groups of chestnut kernels: fresh kernels, non-enzymatic browned kernels, and browned kernels, and the contents of AQS were determined. High performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) methods were used to identify two compounds of AQS, rehein(1) and emodin(2). AQS were barely exists in the fresh kernels, while both browned kernel groups sample contained a high amount of AQS. Thus, we comfirmed that AQS could be produced during both enzymatic and non-enzymatic browning process. Rhein and emodin were the main components of AQS in the browned kernels.

Broken rice kernels and the kinetics of rice hydration and texture during cooking.

PubMed

Saleh, Mohammed; Meullenet, Jean-Francois

2013-05-01

During rice milling and processing, broken kernels are inevitably present, although to date it has been unclear as to how the presence of broken kernels affects rice hydration and cooked rice texture. Therefore, this work intended to study the effect of broken kernels in a rice sample on rice hydration and texture during cooking. Two medium-grain and two long-grain rice cultivars were harvested, dried and milled, and the broken kernels were separated from unbroken kernels. Broken rice kernels were subsequently combined with unbroken rice kernels forming treatments of 0, 40, 150, 350 or 1000 g kg(-1) broken kernels ratio. Rice samples were then cooked and the moisture content of the cooked rice, the moisture uptake rate, and rice hardness and stickiness were measured. As the amount of broken rice kernels increased, rice sample texture became increasingly softer (P < 0.05) but the unbroken kernels became significantly harder. Moisture content and moisture uptake rate were positively correlated, and cooked rice hardness was negatively correlated to the percentage of broken kernels in rice samples. Differences in the proportions of broken rice in a milled rice sample play a major role in determining the texture properties of cooked rice. Variations in the moisture migration kinetics between broken and unbroken kernels caused faster hydration of the cores of broken rice kernels, with greater starch leach-out during cooking affecting the texture of the cooked rice. The texture of cooked rice can be controlled, to some extent, by varying the proportion of broken kernels in milled rice. © 2012 Society of Chemical Industry.

Learning molecular energies using localized graph kernels

DOE PAGES

Ferré, Grégoire; Haut, Terry Scot; Barros, Kipton Marcos

2017-03-21

We report that recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturallymore » incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. Finally, we benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.« less

Memory behaviors of entropy production rates in heat conduction

NASA Astrophysics Data System (ADS)

Li, Shu-Nan; Cao, Bing-Yang

2018-02-01

Based on the relaxation time approximation and first-order expansion, memory behaviors in heat conduction are found between the macroscopic and Boltzmann-Gibbs-Shannon (BGS) entropy production rates with exponentially decaying memory kernels. In the frameworks of classical irreversible thermodynamics (CIT) and BGS statistical mechanics, the memory dependency on the integrated history is unidirectional, while for the extended irreversible thermodynamics (EIT) and BGS entropy production rates, the memory dependences are bidirectional and coexist with the linear terms. When macroscopic and microscopic relaxation times satisfy a specific relationship, the entropic memory dependences will be eliminated. There also exist initial effects in entropic memory behaviors, which decay exponentially. The second-order term are also discussed, which can be understood as the global non-equilibrium degree. The effects of the second-order term are consisted of three parts: memory dependency, initial value and linear term. The corresponding memory kernels are still exponential and the initial effects of the global non-equilibrium degree also decay exponentially.

Learning molecular energies using localized graph kernels

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

Ferré, Grégoire; Haut, Terry Scot; Barros, Kipton Marcos

We report that recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab initio calculations) and at speeds suitable for molecular dynamics simulation. Best performance is achieved when the known physical constraints are encoded in the machine learning models. For example, the atomic energy is invariant under global translations and rotations; it is also invariant to permutations of same-species atoms. Although simple to state, these symmetries are complicated to encode into machine learning algorithms. In this paper, we present a machine learning approach based on graph theory that naturallymore » incorporates translation, rotation, and permutation symmetries. Specifically, we use a random walk graph kernel to measure the similarity of two adjacency matrices, each of which represents a local atomic environment. This Graph Approximated Energy (GRAPE) approach is flexible and admits many possible extensions. Finally, we benchmark a simple version of GRAPE by predicting atomization energies on a standard dataset of organic molecules.« less

Myo-inositol esters of indole-3-acetic acid are endogenous components of Zea mays L. shoot tissue

NASA Technical Reports Server (NTRS)

Chisnell, J. R.

1984-01-01

Indole-3-acetyl-myo-inositol esters have been demonstrated to be endogenous components of etiolated Zea mays shoots tissue. This was accomplished by comparison of the putative compounds with authentic, synthetic esters. The properties compared were liquid and gas-liquid chromatographic retention times and the 70-ev mass spectral fragmentation pattern of the pentaacetyl derivative. The amount of indole-3-acetyl-myo-inositol esters in the shoots was determined to be 74 nanomoles per kilogram fresh weight as measured by isotope dilution, accounting for 19% of the ester indole-3-acetic acid of the shoot. This work is the first characterization of an ester conjugate of indole-3-acetate acid from vegetative shoot tissue using multiple chromatographic properties and mass spectral identification. The kernel and the seedling shoot both contain indole-3-acetyl-myo-inositol esters, and these esters comprise approximately the same percentage of the total ester content of the kernel and of the shoot.

Applying knowledge engineering and representation methods to improve support vector machine and multivariate probabilistic neural network CAD performance

NASA Astrophysics Data System (ADS)

Land, Walker H., Jr.; Anderson, Frances; Smith, Tom; Fahlbusch, Stephen; Choma, Robert; Wong, Lut

2005-04-01

Achieving consistent and correct database cases is crucial to the correct evaluation of any computer-assisted diagnostic (CAD) paradigm. This paper describes the application of artificial intelligence (AI), knowledge engineering (KE) and knowledge representation (KR) to a data set of ~2500 cases from six separate hospitals, with the objective of removing/reducing inconsistent outlier data. Several support vector machine (SVM) kernels were used to measure diagnostic performance of the original and a "cleaned" data set. Specifically, KE and ER principles were applied to the two data sets which were re-examined with respect to the environment and agents. One data set was found to contain 25 non-characterizable sets. The other data set contained 180 non-characterizable sets. CAD system performance was measured with both the original and "cleaned" data sets using two SVM kernels as well as a multivariate probabilistic neural network (PNN). Results demonstrated: (i) a 10% average improvement in overall Az and (ii) approximately a 50% average improvement in partial Az.

A spectral boundary integral equation method for the 2-D Helmholtz equation

NASA Technical Reports Server (NTRS)

Hu, Fang Q.

1994-01-01

In this paper, we present a new numerical formulation of solving the boundary integral equations reformulated from the Helmholtz equation. The boundaries of the problems are assumed to be smooth closed contours. The solution on the boundary is treated as a periodic function, which is in turn approximated by a truncated Fourier series. A Fourier collocation method is followed in which the boundary integral equation is transformed into a system of algebraic equations. It is shown that in order to achieve spectral accuracy for the numerical formulation, the nonsmoothness of the integral kernels, associated with the Helmholtz equation, must be carefully removed. The emphasis of the paper is on investigating the essential elements of removing the nonsmoothness of the integral kernels in the spectral implementation. The present method is robust for a general boundary contour. Aspects of efficient implementation of the method using FFT are also discussed. A numerical example of wave scattering is given in which the exponential accuracy of the present numerical method is demonstrated.

The moving-least-squares-particle hydrodynamics method (MLSPH)

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

Dilts, G.

1997-12-31

An enhancement of the smooth-particle hydrodynamics (SPH) method has been developed using the moving-least-squares (MLS) interpolants of Lancaster and Salkauskas which simultaneously relieves the method of several well-known undesirable behaviors, including spurious boundary effects, inaccurate strain and rotation rates, pressure spikes at impact boundaries, and the infamous tension instability. The classical SPH method is derived in a novel manner by means of a Galerkin approximation applied to the Lagrangian equations of motion for continua using as basis functions the SPH kernel function multiplied by the particle volume. This derivation is then modified by simply substituting the MLS interpolants for themore » SPH Galerkin basis, taking care to redefine the particle volume and mass appropriately. The familiar SPH kernel approximation is now equivalent to a colocation-Galerkin method. Both classical conservative and recent non-conservative formulations of SPH can be derived and emulated. The non-conservative forms can be made conservative by adding terms that are zero within the approximation at the expense of boundary-value considerations. The familiar Monaghan viscosity is used. Test calculations of uniformly expanding fluids, the Swegle example, spinning solid disks, impacting bars, and spherically symmetric flow illustrate the superiority of the technique over SPH. In all cases it is seen that the marvelous ability of the MLS interpolants to add up correctly everywhere civilizes the noisy, unpredictable nature of SPH. Being a relatively minor perturbation of the SPH method, it is easily retrofitted into existing SPH codes. On the down side, computational expense at this point is significant, the Monaghan viscosity undoes the contribution of the MLS interpolants, and one-point quadrature (colocation) is not accurate enough. Solutions to these difficulties are being pursued vigorously.« less

Nonlinear Deep Kernel Learning for Image Annotation.

PubMed

Jiu, Mingyuan; Sahbi, Hichem

2017-02-08

Multiple kernel learning (MKL) is a widely used technique for kernel design. Its principle consists in learning, for a given support vector classifier, the most suitable convex (or sparse) linear combination of standard elementary kernels. However, these combinations are shallow and often powerless to capture the actual similarity between highly semantic data, especially for challenging classification tasks such as image annotation. In this paper, we redefine multiple kernels using deep multi-layer networks. In this new contribution, a deep multiple kernel is recursively defined as a multi-layered combination of nonlinear activation functions, each one involves a combination of several elementary or intermediate kernels, and results into a positive semi-definite deep kernel. We propose four different frameworks in order to learn the weights of these networks: supervised, unsupervised, kernel-based semisupervised and Laplacian-based semi-supervised. When plugged into support vector machines (SVMs), the resulting deep kernel networks show clear gain, compared to several shallow kernels for the task of image annotation. Extensive experiments and analysis on the challenging ImageCLEF photo annotation benchmark, the COREL5k database and the Banana dataset validate the effectiveness of the proposed method.

Multineuron spike train analysis with R-convolution linear combination kernel.

PubMed

Tezuka, Taro

2018-06-01

A spike train kernel provides an effective way of decoding information represented by a spike train. Some spike train kernels have been extended to multineuron spike trains, which are simultaneously recorded spike trains obtained from multiple neurons. However, most of these multineuron extensions were carried out in a kernel-specific manner. In this paper, a general framework is proposed for extending any single-neuron spike train kernel to multineuron spike trains, based on the R-convolution kernel. Special subclasses of the proposed R-convolution linear combination kernel are explored. These subclasses have a smaller number of parameters and make optimization tractable when the size of data is limited. The proposed kernel was evaluated using Gaussian process regression for multineuron spike trains recorded from an animal brain. It was compared with the sum kernel and the population Spikernel, which are existing ways of decoding multineuron spike trains using kernels. The results showed that the proposed approach performs better than these kernels and also other commonly used neural decoding methods. Copyright © 2018 Elsevier Ltd. All rights reserved.

Study on Energy Productivity Ratio (EPR) at palm kernel oil processing factory: case study on PT-X at Sumatera Utara Plantation

NASA Astrophysics Data System (ADS)

Haryanto, B.; Bukit, R. Br; Situmeang, E. M.; Christina, E. P.; Pandiangan, F.

2018-02-01

The purpose of this study was to determine the performance, productivity and feasibility of the operation of palm kernel processing plant based on Energy Productivity Ratio (EPR). EPR is expressed as the ratio of output to input energy and by-product. Palm Kernel plan is process in palm kernel to become palm kernel oil. The procedure started from collecting data needed as energy input such as: palm kernel prices, energy demand and depreciation of the factory. The energy output and its by-product comprise the whole production price such as: palm kernel oil price and the remaining products such as shells and pulp price. Calculation the equality of energy of palm kernel oil is to analyze the value of Energy Productivity Ratio (EPR) bases on processing capacity per year. The investigation has been done in Kernel Oil Processing Plant PT-X at Sumatera Utara plantation. The value of EPR was 1.54 (EPR > 1), which indicated that the processing of palm kernel into palm kernel oil is feasible to be operated based on the energy productivity.

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

Sevast'yanov, E A; Sadekova, E Kh

The Bulgarian mathematicians Sendov, Popov, and Boyanov have well-known results on the asymptotic behaviour of the least deviations of 2{pi}-periodic functions in the classes H{sup {omega}} from trigonometric polynomials in the Hausdorff metric. However, the asymptotics they give are not adequate to detect a difference in, for example, the rate of approximation of functions f whose moduli of continuity {omega}(f;{delta}) differ by factors of the form (log(1/{delta})){sup {beta}}. Furthermore, a more detailed determination of the asymptotic behaviour by traditional methods becomes very difficult. This paper develops an approach based on using trigonometric snakes as approximating polynomials. The snakes of ordermore » n inscribed in the Minkowski {delta}-neighbourhood of the graph of the approximated function f provide, in a number of cases, the best approximation for f (for the appropriate choice of {delta}). The choice of {delta} depends on n and f and is based on constructing polynomial kernels adjusted to the Hausdorff metric and polynomials with special oscillatory properties. Bibliography: 19 titles.« less

Predicting complex traits using a diffusion kernel on genetic markers with an application to dairy cattle and wheat data

PubMed Central

2013-01-01

Background Arguably, genotypes and phenotypes may be linked in functional forms that are not well addressed by the linear additive models that are standard in quantitative genetics. Therefore, developing statistical learning models for predicting phenotypic values from all available molecular information that are capable of capturing complex genetic network architectures is of great importance. Bayesian kernel ridge regression is a non-parametric prediction model proposed for this purpose. Its essence is to create a spatial distance-based relationship matrix called a kernel. Although the set of all single nucleotide polymorphism genotype configurations on which a model is built is finite, past research has mainly used a Gaussian kernel. Results We sought to investigate the performance of a diffusion kernel, which was specifically developed to model discrete marker inputs, using Holstein cattle and wheat data. This kernel can be viewed as a discretization of the Gaussian kernel. The predictive ability of the diffusion kernel was similar to that of non-spatial distance-based additive genomic relationship kernels in the Holstein data, but outperformed the latter in the wheat data. However, the difference in performance between the diffusion and Gaussian kernels was negligible. Conclusions It is concluded that the ability of a diffusion kernel to capture the total genetic variance is not better than that of a Gaussian kernel, at least for these data. Although the diffusion kernel as a choice of basis function may have potential for use in whole-genome prediction, our results imply that embedding genetic markers into a non-Euclidean metric space has very small impact on prediction. Our results suggest that use of the black box Gaussian kernel is justified, given its connection to the diffusion kernel and its similar predictive performance. PMID:23763755

7 CFR 981.9 - Kernel weight.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 8 2010-01-01 2010-01-01 false Kernel weight. 981.9 Section 981.9 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Marketing Agreements... Regulating Handling Definitions § 981.9 Kernel weight. Kernel weight means the weight of kernels, including...

An SVM model with hybrid kernels for hydrological time series

NASA Astrophysics Data System (ADS)

Wang, C.; Wang, H.; Zhao, X.; Xie, Q.

2017-12-01

Support Vector Machine (SVM) models have been widely applied to the forecast of climate/weather and its impact on other environmental variables such as hydrologic response to climate/weather. When using SVM, the choice of the kernel function plays the key role. Conventional SVM models mostly use one single type of kernel function, e.g., radial basis kernel function. Provided that there are several featured kernel functions available, each having its own advantages and drawbacks, a combination of these kernel functions may give more flexibility and robustness to SVM approach, making it suitable for a wide range of application scenarios. This paper presents such a linear combination of radial basis kernel and polynomial kernel for the forecast of monthly flowrate in two gaging stations using SVM approach. The results indicate significant improvement in the accuracy of predicted series compared to the approach with either individual kernel function, thus demonstrating the feasibility and advantages of such hybrid kernel approach for SVM applications.

Comptonization in Ultra-Strong Magnetic Fields: Numerical Solution to the Radiative Transfer Problem

NASA Technical Reports Server (NTRS)

Ceccobello, C.; Farinelli, R.; Titarchuk, L.

2014-01-01

We consider the radiative transfer problem in a plane-parallel slab of thermal electrons in the presence of an ultra-strong magnetic field (B approximately greater than B(sub c) approx. = 4.4 x 10(exp 13) G). Under these conditions, the magnetic field behaves like a birefringent medium for the propagating photons, and the electromagnetic radiation is split into two polarization modes, ordinary and extraordinary, that have different cross-sections. When the optical depth of the slab is large, the ordinary-mode photons are strongly Comptonized and the photon field is dominated by an isotropic component. Aims. The radiative transfer problem in strong magnetic fields presents many mathematical issues and analytical or numerical solutions can be obtained only under some given approximations. We investigate this problem both from the analytical and numerical point of view, provide a test of the previous analytical estimates, and extend these results with numerical techniques. Methods. We consider here the case of low temperature black-body photons propagating in a sub-relativistic temperature plasma, which allows us to deal with a semi-Fokker-Planck approximation of the radiative transfer equation. The problem can then be treated with the variable separation method, and we use a numerical technique to find solutions to the eigenvalue problem in the case of a singular kernel of the space operator. The singularity of the space kernel is the result of the strong angular dependence of the electron cross-section in the presence of a strong magnetic field. Results. We provide the numerical solution obtained for eigenvalues and eigenfunctions of the space operator, and the emerging Comptonization spectrum of the ordinary-mode photons for any eigenvalue of the space equation and for energies significantly lesser than the cyclotron energy, which is on the order of MeV for the intensity of the magnetic field here considered. Conclusions. We derived the specific intensity of the ordinary photons, under the approximation of large angle and large optical depth. These assumptions allow the equation to be treated using a diffusion-like approximation.

Multiple kernels learning-based biological entity relationship extraction method.

PubMed

Dongliang, Xu; Jingchang, Pan; Bailing, Wang

2017-09-20

Automatic extracting protein entity interaction information from biomedical literature can help to build protein relation network and design new drugs. There are more than 20 million literature abstracts included in MEDLINE, which is the most authoritative textual database in the field of biomedicine, and follow an exponential growth over time. This frantic expansion of the biomedical literature can often be difficult to absorb or manually analyze. Thus efficient and automated search engines are necessary to efficiently explore the biomedical literature using text mining techniques. The P, R, and F value of tag graph method in Aimed corpus are 50.82, 69.76, and 58.61%, respectively. The P, R, and F value of tag graph kernel method in other four evaluation corpuses are 2-5% higher than that of all-paths graph kernel. And The P, R and F value of feature kernel and tag graph kernel fuse methods is 53.43, 71.62 and 61.30%, respectively. The P, R and F value of feature kernel and tag graph kernel fuse methods is 55.47, 70.29 and 60.37%, respectively. It indicated that the performance of the two kinds of kernel fusion methods is better than that of simple kernel. In comparison with the all-paths graph kernel method, the tag graph kernel method is superior in terms of overall performance. Experiments show that the performance of the multi-kernels method is better than that of the three separate single-kernel method and the dual-mutually fused kernel method used hereof in five corpus sets.

Approximate Bayesian computation for spatial SEIR(S) epidemic models.

PubMed

Brown, Grant D; Porter, Aaron T; Oleson, Jacob J; Hinman, Jessica A

2018-02-01

Approximate Bayesia n Computation (ABC) provides an attractive approach to estimation in complex Bayesian inferential problems for which evaluation of the kernel of the posterior distribution is impossible or computationally expensive. These highly parallelizable techniques have been successfully applied to many fields, particularly in cases where more traditional approaches such as Markov chain Monte Carlo (MCMC) are impractical. In this work, we demonstrate the application of approximate Bayesian inference to spatially heterogeneous Susceptible-Exposed-Infectious-Removed (SEIR) stochastic epidemic models. These models have a tractable posterior distribution, however MCMC techniques nevertheless become computationally infeasible for moderately sized problems. We discuss the practical implementation of these techniques via the open source ABSEIR package for R. The performance of ABC relative to traditional MCMC methods in a small problem is explored under simulation, as well as in the spatially heterogeneous context of the 2014 epidemic of Chikungunya in the Americas. Copyright © 2017 Elsevier Ltd. All rights reserved.

Universal Approximation by Using the Correntropy Objective Function.

PubMed

Nayyeri, Mojtaba; Sadoghi Yazdi, Hadi; Maskooki, Alaleh; Rouhani, Modjtaba

2017-10-16

Several objective functions have been proposed in the literature to adjust the input parameters of a node in constructive networks. Furthermore, many researchers have focused on the universal approximation capability of the network based on the existing objective functions. In this brief, we use a correntropy measure based on the sigmoid kernel in the objective function to adjust the input parameters of a newly added node in a cascade network. The proposed network is shown to be capable of approximating any continuous nonlinear mapping with probability one in a compact input sample space. Thus, the convergence is guaranteed. The performance of our method was compared with that of eight different objective functions, as well as with an existing one hidden layer feedforward network on several real regression data sets with and without impulsive noise. The experimental results indicate the benefits of using a correntropy measure in reducing the root mean square error and increasing the robustness to noise.

Molecular Excitation Energies from Time-Dependent Density Functional Theory Employing Random-Phase Approximation Hessians with Exact Exchange.

PubMed

Heßelmann, Andreas

2015-04-14

Molecular excitation energies have been calculated with time-dependent density-functional theory (TDDFT) using random-phase approximation Hessians augmented with exact exchange contributions in various orders. It has been observed that this approach yields fairly accurate local valence excitations if combined with accurate asymptotically corrected exchange-correlation potentials used in the ground-state Kohn-Sham calculations. The inclusion of long-range particle-particle with hole-hole interactions in the kernel leads to errors of 0.14 eV only for the lowest excitations of a selection of three alkene, three carbonyl, and five azabenzene molecules, thus surpassing the accuracy of a number of common TDDFT and even some wave function correlation methods. In the case of long-range charge-transfer excitations, the method typically underestimates accurate reference excitation energies by 8% on average, which is better than with standard hybrid-GGA functionals but worse compared to range-separated functional approximations.

7 CFR 51.2295 - Half kernel.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 2 2010-01-01 2010-01-01 false Half kernel. 51.2295 Section 51.2295 Agriculture... Standards for Shelled English Walnuts (Juglans Regia) Definitions § 51.2295 Half kernel. Half kernel means the separated half of a kernel with not more than one-eighth broken off. ...

7 CFR 810.206 - Grades and grade requirements for barley.

Code of Federal Regulations, 2010 CFR

2010-01-01

... weight per bushel (pounds) Sound barley (percent) Maximum Limits of— Damaged kernels 1 (percent) Heat damaged kernels (percent) Foreign material (percent) Broken kernels (percent) Thin barley (percent) U.S... or otherwise of distinctly low quality. 1 Includes heat-damaged kernels. Injured-by-frost kernels and...

Biomass as Feedstock for A Bioenergy and Bioproducts Industry: The Technical Feasibility of a Billion-Ton Annual Supply

DTIC Science & Technology

2005-04-01

Approximately 20 percent of the corn kernel is not utilized in the production of ethanol and other starch based products, such as sweeteners and high - fructose ...under high yields. The amount of corn and soybeans available for ethanol, biodiesel or other bioproducts was calculated by first subtracting amounts...because of increasing demand for animal feed. This evaluation assumes that corn exports rise by another 10 percent in the high corn yield scenarios

7 CFR 51.1449 - Damage.

Code of Federal Regulations, 2014 CFR

2014-01-01

...) Kernel which is “dark amber” or darker color; (e) Kernel having more than one dark kernel spot, or one dark kernel spot more than one-eighth inch in greatest dimension; (f) Shriveling when the surface of the kernel is very conspicuously wrinkled; (g) Internal flesh discoloration of a medium shade of gray...

7 CFR 51.1449 - Damage.

Code of Federal Regulations, 2013 CFR

2013-01-01

...) Kernel which is “dark amber” or darker color; (e) Kernel having more than one dark kernel spot, or one dark kernel spot more than one-eighth inch in greatest dimension; (f) Shriveling when the surface of the kernel is very conspicuously wrinkled; (g) Internal flesh discoloration of a medium shade of gray...

7 CFR 51.2125 - Split or broken kernels.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 2 2010-01-01 2010-01-01 false Split or broken kernels. 51.2125 Section 51.2125 Agriculture Regulations of the Department of Agriculture AGRICULTURAL MARKETING SERVICE (Standards... kernels. Split or broken kernels means seven-eighths or less of complete whole kernels but which will not...

7 CFR 51.2296 - Three-fourths half kernel.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 2 2010-01-01 2010-01-01 false Three-fourths half kernel. 51.2296 Section 51.2296 Agriculture Regulations of the Department of Agriculture AGRICULTURAL MARKETING SERVICE (Standards...-fourths half kernel. Three-fourths half kernel means a portion of a half of a kernel which has more than...

The Classification of Diabetes Mellitus Using Kernel k-means

NASA Astrophysics Data System (ADS)

Alamsyah, M.; Nafisah, Z.; Prayitno, E.; Afida, A. M.; Imah, E. M.

2018-01-01

Diabetes Mellitus is a metabolic disorder which is characterized by chronicle hypertensive glucose. Automatics detection of diabetes mellitus is still challenging. This study detected diabetes mellitus by using kernel k-Means algorithm. Kernel k-means is an algorithm which was developed from k-means algorithm. Kernel k-means used kernel learning that is able to handle non linear separable data; where it differs with a common k-means. The performance of kernel k-means in detecting diabetes mellitus is also compared with SOM algorithms. The experiment result shows that kernel k-means has good performance and a way much better than SOM.

UNICOS Kernel Internals Application Development

NASA Technical Reports Server (NTRS)

Caredo, Nicholas; Craw, James M. (Technical Monitor)

1995-01-01

Having an understanding of UNICOS Kernel Internals is valuable information. However, having the knowledge is only half the value. The second half comes with knowing how to use this information and apply it to the development of tools. The kernel contains vast amounts of useful information that can be utilized. This paper discusses the intricacies of developing utilities that utilize kernel information. In addition, algorithms, logic, and code will be discussed for accessing kernel information. Code segments will be provided that demonstrate how to locate and read kernel structures. Types of applications that can utilize kernel information will also be discussed.

Detection of maize kernels breakage rate based on K-means clustering

NASA Astrophysics Data System (ADS)

Yang, Liang; Wang, Zhuo; Gao, Lei; Bai, Xiaoping

2017-04-01

In order to optimize the recognition accuracy of maize kernels breakage detection and improve the detection efficiency of maize kernels breakage, this paper using computer vision technology and detecting of the maize kernels breakage based on K-means clustering algorithm. First, the collected RGB images are converted into Lab images, then the original images clarity evaluation are evaluated by the energy function of Sobel 8 gradient. Finally, the detection of maize kernels breakage using different pixel acquisition equipments and different shooting angles. In this paper, the broken maize kernels are identified by the color difference between integrity kernels and broken kernels. The original images clarity evaluation and different shooting angles are taken to verify that the clarity and shooting angles of the images have a direct influence on the feature extraction. The results show that K-means clustering algorithm can distinguish the broken maize kernels effectively.

Modeling adaptive kernels from probabilistic phylogenetic trees.

PubMed

Nicotra, Luca; Micheli, Alessio

2009-01-01

Modeling phylogenetic interactions is an open issue in many computational biology problems. In the context of gene function prediction we introduce a class of kernels for structured data leveraging on a hierarchical probabilistic modeling of phylogeny among species. We derive three kernels belonging to this setting: a sufficient statistics kernel, a Fisher kernel, and a probability product kernel. The new kernels are used in the context of support vector machine learning. The kernels adaptivity is obtained through the estimation of the parameters of a tree structured model of evolution using as observed data phylogenetic profiles encoding the presence or absence of specific genes in a set of fully sequenced genomes. We report results obtained in the prediction of the functional class of the proteins of the budding yeast Saccharomyces cerevisae which favorably compare to a standard vector based kernel and to a non-adaptive tree kernel function. A further comparative analysis is performed in order to assess the impact of the different components of the proposed approach. We show that the key features of the proposed kernels are the adaptivity to the input domain and the ability to deal with structured data interpreted through a graphical model representation.

Aflatoxin and nutrient contents of peanut collected from local market and their processed foods

NASA Astrophysics Data System (ADS)

Ginting, E.; Rahmianna, A. A.; Yusnawan, E.

2018-01-01

Peanut is succeptable to aflatoxin contamination and the sources of peanut as well as processing methods considerably affect aflatoxin content of the products. Therefore, the study on aflatoxin and nutrient contents of peanut collected from local market and their processed foods were performed. Good kernels of peanut were prepared into fried peanut, pressed-fried peanut, peanut sauce, peanut press cake, fermented peanut press cake (tempe) and fried tempe, while blended kernels (good and poor kernels) were processed into peanut sauce and tempe and poor kernels were only processed into tempe. The results showed that good and blended kernels which had high number of sound/intact kernels (82,46% and 62,09%), contained 9.8-9.9 ppb of aflatoxin B1, while slightly higher level was seen in poor kernels (12.1 ppb). However, the moisture, ash, protein, and fat contents of the kernels were similar as well as the products. Peanut tempe and fried tempe showed the highest increase in protein content, while decreased fat contents were seen in all products. The increase in aflatoxin B1 of peanut tempe prepared from poor kernels > blended kernels > good kernels. However, it averagely decreased by 61.2% after deep-fried. Excluding peanut tempe and fried tempe, aflatoxin B1 levels in all products derived from good kernels were below the permitted level (15 ppb). This suggests that sorting peanut kernels as ingredients and followed by heat processing would decrease the aflatoxin content in the products.

Partial Deconvolution with Inaccurate Blur Kernel.

PubMed

Ren, Dongwei; Zuo, Wangmeng; Zhang, David; Xu, Jun; Zhang, Lei

2017-10-17

Most non-blind deconvolution methods are developed under the error-free kernel assumption, and are not robust to inaccurate blur kernel. Unfortunately, despite the great progress in blind deconvolution, estimation error remains inevitable during blur kernel estimation. Consequently, severe artifacts such as ringing effects and distortions are likely to be introduced in the non-blind deconvolution stage. In this paper, we tackle this issue by suggesting: (i) a partial map in the Fourier domain for modeling kernel estimation error, and (ii) a partial deconvolution model for robust deblurring with inaccurate blur kernel. The partial map is constructed by detecting the reliable Fourier entries of estimated blur kernel. And partial deconvolution is applied to wavelet-based and learning-based models to suppress the adverse effect of kernel estimation error. Furthermore, an E-M algorithm is developed for estimating the partial map and recovering the latent sharp image alternatively. Experimental results show that our partial deconvolution model is effective in relieving artifacts caused by inaccurate blur kernel, and can achieve favorable deblurring quality on synthetic and real blurry images.Most non-blind deconvolution methods are developed under the error-free kernel assumption, and are not robust to inaccurate blur kernel. Unfortunately, despite the great progress in blind deconvolution, estimation error remains inevitable during blur kernel estimation. Consequently, severe artifacts such as ringing effects and distortions are likely to be introduced in the non-blind deconvolution stage. In this paper, we tackle this issue by suggesting: (i) a partial map in the Fourier domain for modeling kernel estimation error, and (ii) a partial deconvolution model for robust deblurring with inaccurate blur kernel. The partial map is constructed by detecting the reliable Fourier entries of estimated blur kernel. And partial deconvolution is applied to wavelet-based and learning-based models to suppress the adverse effect of kernel estimation error. Furthermore, an E-M algorithm is developed for estimating the partial map and recovering the latent sharp image alternatively. Experimental results show that our partial deconvolution model is effective in relieving artifacts caused by inaccurate blur kernel, and can achieve favorable deblurring quality on synthetic and real blurry images.

Algorithms for sorting unsigned linear genomes by the DCJ operations.

PubMed

Jiang, Haitao; Zhu, Binhai; Zhu, Daming

2011-02-01

The double cut and join operation (abbreviated as DCJ) has been extensively used for genomic rearrangement. Although the DCJ distance between signed genomes with both linear and circular (uni- and multi-) chromosomes is well studied, the only known result for the NP-complete unsigned DCJ distance problem is an approximation algorithm for unsigned linear unichromosomal genomes. In this article, we study the problem of computing the DCJ distance on two unsigned linear multichromosomal genomes (abbreviated as UDCJ). We devise a 1.5-approximation algorithm for UDCJ by exploiting the distance formula for signed genomes. In addition, we show that UDCJ admits a weak kernel of size 2k and hence an FPT algorithm running in O(2(2k)n) time.

Intact cell mass spectrometry (ICMS) used to type methicillin-resistant Staphylococcus aureus: media effects and inter-laboratory reproducibility.

PubMed

Walker, J; Fox, A J; Edwards-Jones, V; Gordon, D B

2002-02-01

Intact cell mass spectrometry (ICMS) rapidly analyses the surface composition of microorganisms providing rapid, discriminatory fingerprints for identification and subtyping of important nosocomial pathogens such as methicillin resistant Staphylocccus aureus (MRSA). In this study, ICMS using matrix-assisted laser desorption ionisation time-of-flight mass spectrometry (MALDI TOF/MS) was assessed for the identification and subtyping of MRSA. An intra- and inter-laboratory reproducibility study was carried out and the effects of culture media (an important source of variation for ICMS) were also studied. Several media used for the cultural identification of MRSA were examined using a panel of well-characterised staphylococcal isolates (n=26). Six MRSA isolates were analysed over a 1-month period for intra-laboratory reproducibility on the same instrument and three different culture media. Spectra were consistent for each isolate between the four experiments on the same culture medium. Individual isolates produced different spectral profiles on different culture media. Spectra from organisms grown on Columbia blood agar contained more peaks (approximately 120) compared to Columbia agar (approximately 50) and methicillin mannitol salt agar (approximately 25). All 26 staphylococcal isolates were subjected to an inter-laboratory study on two MALDI instruments. For each isolate, the overall spectral profile was the same for each of the two instruments but the baseline threshold values was adjusted due to instrument differences in detector sensitivities. Differences between certain regions of the spectra reproducibly identified isolates belonging to the two major MRSA strains (EMRSA phage group 15 and 16). These results demonstrate ICMS with appropriate media selection is a rapid and reproducible technique for identification and discrimination of MRSA.

7 CFR 981.401 - Adjusted kernel weight.

Code of Federal Regulations, 2012 CFR

2012-01-01

... based on the analysis of a 1,000 gram sample taken from a lot of almonds weighing 10,000 pounds with less than 95 percent kernels, and a 1,000 gram sample taken from a lot of almonds weighing 10,000... percent kernels containing the following: Edible kernels, 530 grams; inedible kernels, 120 grams; foreign...

7 CFR 981.401 - Adjusted kernel weight.

Code of Federal Regulations, 2011 CFR

2011-01-01

... based on the analysis of a 1,000 gram sample taken from a lot of almonds weighing 10,000 pounds with less than 95 percent kernels, and a 1,000 gram sample taken from a lot of almonds weighing 10,000... percent kernels containing the following: Edible kernels, 530 grams; inedible kernels, 120 grams; foreign...

7 CFR 981.401 - Adjusted kernel weight.

Code of Federal Regulations, 2013 CFR

2013-01-01

... based on the analysis of a 1,000 gram sample taken from a lot of almonds weighing 10,000 pounds with less than 95 percent kernels, and a 1,000 gram sample taken from a lot of almonds weighing 10,000... percent kernels containing the following: Edible kernels, 530 grams; inedible kernels, 120 grams; foreign...

7 CFR 981.401 - Adjusted kernel weight.

Code of Federal Regulations, 2010 CFR

2010-01-01

... based on the analysis of a 1,000 gram sample taken from a lot of almonds weighing 10,000 pounds with less than 95 percent kernels, and a 1,000 gram sample taken from a lot of almonds weighing 10,000... percent kernels containing the following: Edible kernels, 530 grams; inedible kernels, 120 grams; foreign...

7 CFR 981.401 - Adjusted kernel weight.

Code of Federal Regulations, 2014 CFR

2014-01-01

... based on the analysis of a 1,000 gram sample taken from a lot of almonds weighing 10,000 pounds with less than 95 percent kernels, and a 1,000 gram sample taken from a lot of almonds weighing 10,000... percent kernels containing the following: Edible kernels, 530 grams; inedible kernels, 120 grams; foreign...

7 CFR 51.1441 - Half-kernel.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 2 2010-01-01 2010-01-01 false Half-kernel. 51.1441 Section 51.1441 Agriculture... Standards for Grades of Shelled Pecans Definitions § 51.1441 Half-kernel. Half-kernel means one of the separated halves of an entire pecan kernel with not more than one-eighth of its original volume missing...

7 CFR 51.1403 - Kernel color classification.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 2 2010-01-01 2010-01-01 false Kernel color classification. 51.1403 Section 51.1403... STANDARDS) United States Standards for Grades of Pecans in the Shell 1 Kernel Color Classification § 51.1403 Kernel color classification. (a) The skin color of pecan kernels may be described in terms of the color...

7 CFR 51.1450 - Serious damage.

Code of Federal Regulations, 2010 CFR

2010-01-01

...; (c) Decay affecting any portion of the kernel; (d) Insects, web, or frass or any distinct evidence of insect feeding on the kernel; (e) Internal discoloration which is dark gray, dark brown, or black and...) Dark kernel spots when more than three are on the kernel, or when any dark kernel spot or the aggregate...

7 CFR 51.1450 - Serious damage.

Code of Federal Regulations, 2011 CFR

2011-01-01

...; (c) Decay affecting any portion of the kernel; (d) Insects, web, or frass or any distinct evidence of insect feeding on the kernel; (e) Internal discoloration which is dark gray, dark brown, or black and...) Dark kernel spots when more than three are on the kernel, or when any dark kernel spot or the aggregate...

7 CFR 51.1450 - Serious damage.

Code of Federal Regulations, 2012 CFR

2012-01-01

...; (c) Decay affecting any portion of the kernel; (d) Insects, web, or frass or any distinct evidence of insect feeding on the kernel; (e) Internal discoloration which is dark gray, dark brown, or black and...) Dark kernel spots when more than three are on the kernel, or when any dark kernel spot or the aggregate...

A trace ratio maximization approach to multiple kernel-based dimensionality reduction.

PubMed

Jiang, Wenhao; Chung, Fu-lai

2014-01-01

Most dimensionality reduction techniques are based on one metric or one kernel, hence it is necessary to select an appropriate kernel for kernel-based dimensionality reduction. Multiple kernel learning for dimensionality reduction (MKL-DR) has been recently proposed to learn a kernel from a set of base kernels which are seen as different descriptions of data. As MKL-DR does not involve regularization, it might be ill-posed under some conditions and consequently its applications are hindered. This paper proposes a multiple kernel learning framework for dimensionality reduction based on regularized trace ratio, termed as MKL-TR. Our method aims at learning a transformation into a space of lower dimension and a corresponding kernel from the given base kernels among which some may not be suitable for the given data. The solutions for the proposed framework can be found based on trace ratio maximization. The experimental results demonstrate its effectiveness in benchmark datasets, which include text, image and sound datasets, for supervised, unsupervised as well as semi-supervised settings. Copyright © 2013 Elsevier Ltd. All rights reserved.

Distributed smoothed tree kernel for protein-protein interaction extraction from the biomedical literature

PubMed Central

Murugesan, Gurusamy; Abdulkadhar, Sabenabanu; Natarajan, Jeyakumar

2017-01-01

Automatic extraction of protein-protein interaction (PPI) pairs from biomedical literature is a widely examined task in biological information extraction. Currently, many kernel based approaches such as linear kernel, tree kernel, graph kernel and combination of multiple kernels has achieved promising results in PPI task. However, most of these kernel methods fail to capture the semantic relation information between two entities. In this paper, we present a special type of tree kernel for PPI extraction which exploits both syntactic (structural) and semantic vectors information known as Distributed Smoothed Tree kernel (DSTK). DSTK comprises of distributed trees with syntactic information along with distributional semantic vectors representing semantic information of the sentences or phrases. To generate robust machine learning model composition of feature based kernel and DSTK were combined using ensemble support vector machine (SVM). Five different corpora (AIMed, BioInfer, HPRD50, IEPA, and LLL) were used for evaluating the performance of our system. Experimental results show that our system achieves better f-score with five different corpora compared to other state-of-the-art systems. PMID:29099838

Hadamard Kernel SVM with applications for breast cancer outcome predictions.

PubMed

Jiang, Hao; Ching, Wai-Ki; Cheung, Wai-Shun; Hou, Wenpin; Yin, Hong

2017-12-21

Breast cancer is one of the leading causes of deaths for women. It is of great necessity to develop effective methods for breast cancer detection and diagnosis. Recent studies have focused on gene-based signatures for outcome predictions. Kernel SVM for its discriminative power in dealing with small sample pattern recognition problems has attracted a lot attention. But how to select or construct an appropriate kernel for a specified problem still needs further investigation. Here we propose a novel kernel (Hadamard Kernel) in conjunction with Support Vector Machines (SVMs) to address the problem of breast cancer outcome prediction using gene expression data. Hadamard Kernel outperform the classical kernels and correlation kernel in terms of Area under the ROC Curve (AUC) values where a number of real-world data sets are adopted to test the performance of different methods. Hadamard Kernel SVM is effective for breast cancer predictions, either in terms of prognosis or diagnosis. It may benefit patients by guiding therapeutic options. Apart from that, it would be a valuable addition to the current SVM kernel families. We hope it will contribute to the wider biology and related communities.

Distributed smoothed tree kernel for protein-protein interaction extraction from the biomedical literature.

PubMed

Murugesan, Gurusamy; Abdulkadhar, Sabenabanu; Natarajan, Jeyakumar

2017-01-01

Automatic extraction of protein-protein interaction (PPI) pairs from biomedical literature is a widely examined task in biological information extraction. Currently, many kernel based approaches such as linear kernel, tree kernel, graph kernel and combination of multiple kernels has achieved promising results in PPI task. However, most of these kernel methods fail to capture the semantic relation information between two entities. In this paper, we present a special type of tree kernel for PPI extraction which exploits both syntactic (structural) and semantic vectors information known as Distributed Smoothed Tree kernel (DSTK). DSTK comprises of distributed trees with syntactic information along with distributional semantic vectors representing semantic information of the sentences or phrases. To generate robust machine learning model composition of feature based kernel and DSTK were combined using ensemble support vector machine (SVM). Five different corpora (AIMed, BioInfer, HPRD50, IEPA, and LLL) were used for evaluating the performance of our system. Experimental results show that our system achieves better f-score with five different corpora compared to other state-of-the-art systems.

A framework for optimal kernel-based manifold embedding of medical image data.

PubMed

Zimmer, Veronika A; Lekadir, Karim; Hoogendoorn, Corné; Frangi, Alejandro F; Piella, Gemma

2015-04-01

Kernel-based dimensionality reduction is a widely used technique in medical image analysis. To fully unravel the underlying nonlinear manifold the selection of an adequate kernel function and of its free parameters is critical. In practice, however, the kernel function is generally chosen as Gaussian or polynomial and such standard kernels might not always be optimal for a given image dataset or application. In this paper, we present a study on the effect of the kernel functions in nonlinear manifold embedding of medical image data. To this end, we first carry out a literature review on existing advanced kernels developed in the statistics, machine learning, and signal processing communities. In addition, we implement kernel-based formulations of well-known nonlinear dimensional reduction techniques such as Isomap and Locally Linear Embedding, thus obtaining a unified framework for manifold embedding using kernels. Subsequently, we present a method to automatically choose a kernel function and its associated parameters from a pool of kernel candidates, with the aim to generate the most optimal manifold embeddings. Furthermore, we show how the calculated selection measures can be extended to take into account the spatial relationships in images, or used to combine several kernels to further improve the embedding results. Experiments are then carried out on various synthetic and phantom datasets for numerical assessment of the methods. Furthermore, the workflow is applied to real data that include brain manifolds and multispectral images to demonstrate the importance of the kernel selection in the analysis of high-dimensional medical images. Copyright © 2014 Elsevier Ltd. All rights reserved.

Exchange Energy Density Functionals that reproduce the Linear Response Function of the Free Electron Gas

NASA Astrophysics Data System (ADS)

García-Aldea, David; Alvarellos, J. E.

2009-03-01

We present several nonlocal exchange energy density functionals that reproduce the linear response function of the free electron gas. These nonlocal functionals are constructed following a similar procedure used previously for nonlocal kinetic energy density functionals by Chac'on-Alvarellos-Tarazona, Garc'ia-Gonz'alez et al., Wang-Govind-Carter and Garc'ia-Aldea-Alvarellos. The exchange response function is not known but we have used the approximate response function developed by Utsumi and Ichimaru, even we must remark that the same ansatz can be used to reproduce any other response function with the same scaling properties. We have developed two families of new nonlocal functionals: one is constructed with a mathematical structure based on the LDA approximation -- the Dirac functional for the exchange - and for the second one the structure of the second order gradient expansion approximation is took as a model. The functionals are constructed is such a way that they can be used in localized systems (using real space calculations) and in extended systems (using the momentum space, and achieving a quasilinear scaling with the system size if a constant reference electron density is defined).

Evaluating the Gradient of the Thin Wire Kernel

NASA Technical Reports Server (NTRS)

Wilton, Donald R.; Champagne, Nathan J.

2008-01-01

Recently, a formulation for evaluating the thin wire kernel was developed that employed a change of variable to smooth the kernel integrand, canceling the singularity in the integrand. Hence, the typical expansion of the wire kernel in a series for use in the potential integrals is avoided. The new expression for the kernel is exact and may be used directly to determine the gradient of the wire kernel, which consists of components that are parallel and radial to the wire axis.

Kernel Machine SNP-set Testing under Multiple Candidate Kernels

PubMed Central

Wu, Michael C.; Maity, Arnab; Lee, Seunggeun; Simmons, Elizabeth M.; Harmon, Quaker E.; Lin, Xinyi; Engel, Stephanie M.; Molldrem, Jeffrey J.; Armistead, Paul M.

2013-01-01

Joint testing for the cumulative effect of multiple single nucleotide polymorphisms grouped on the basis of prior biological knowledge has become a popular and powerful strategy for the analysis of large scale genetic association studies. The kernel machine (KM) testing framework is a useful approach that has been proposed for testing associations between multiple genetic variants and many different types of complex traits by comparing pairwise similarity in phenotype between subjects to pairwise similarity in genotype, with similarity in genotype defined via a kernel function. An advantage of the KM framework is its flexibility: choosing different kernel functions allows for different assumptions concerning the underlying model and can allow for improved power. In practice, it is difficult to know which kernel to use a priori since this depends on the unknown underlying trait architecture and selecting the kernel which gives the lowest p-value can lead to inflated type I error. Therefore, we propose practical strategies for KM testing when multiple candidate kernels are present based on constructing composite kernels and based on efficient perturbation procedures. We demonstrate through simulations and real data applications that the procedures protect the type I error rate and can lead to substantially improved power over poor choices of kernels and only modest differences in power versus using the best candidate kernel. PMID:23471868

Combined multi-kernel head computed tomography images optimized for depicting both brain parenchyma and bone.

PubMed

Takagi, Satoshi; Nagase, Hiroyuki; Hayashi, Tatsuya; Kita, Tamotsu; Hayashi, Katsumi; Sanada, Shigeru; Koike, Masayuki

2014-01-01

The hybrid convolution kernel technique for computed tomography (CT) is known to enable the depiction of an image set using different window settings. Our purpose was to decrease the number of artifacts in the hybrid convolution kernel technique for head CT and to determine whether our improved combined multi-kernel head CT images enabled diagnosis as a substitute for both brain (low-pass kernel-reconstructed) and bone (high-pass kernel-reconstructed) images. Forty-four patients with nondisplaced skull fractures were included. Our improved multi-kernel images were generated so that pixels of >100 Hounsfield unit in both brain and bone images were composed of CT values of bone images and other pixels were composed of CT values of brain images. Three radiologists compared the improved multi-kernel images with bone images. The improved multi-kernel images and brain images were identically displayed on the brain window settings. All three radiologists agreed that the improved multi-kernel images on the bone window settings were sufficient for diagnosing skull fractures in all patients. This improved multi-kernel technique has a simple algorithm and is practical for clinical use. Thus, simplified head CT examinations and fewer images that need to be stored can be expected.

Adhesion and volume constraints via nonlocal interactions determine cell organisation and migration profiles.

PubMed

Carrillo, José Antonio; Colombi, Annachiara; Scianna, Marco

2018-05-14

The description of the cell spatial pattern and characteristic distances is fundamental in a wide range of physio-pathological biological phenomena, from morphogenesis to cancer growth. Discrete particle models are widely used in this field, since they are focused on the cell-level of abstraction and are able to preserve the identity of single individuals reproducing their behavior. In particular, a fundamental role in determining the usefulness and the realism of a particle mathematical approach is played by the choice of the intercellular pairwise interaction kernel and by the estimate of its parameters. The aim of the paper is to demonstrate how the concept of H-stability, deriving from statistical mechanics, can have important implications in this respect. For any given interaction kernel, it in fact allows to a priori predict the regions of the free parameter space that result in stable configurations of the system characterized by a finite and strictly positive minimal interparticle distance, which is fundamental when dealing with biological phenomena. The proposed analytical arguments are indeed able to restrict the range of possible variations of selected model coefficients, whose exact estimate however requires further investigations (e.g., fitting with empirical data), as illustrated in this paper by series of representative simulations dealing with cell colony reorganization, sorting phenomena and zebrafish embryonic development. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

Organ-specific SPECT activity calibration using 3D printed phantoms for molecular radiotherapy dosimetry.

PubMed

Robinson, Andrew P; Tipping, Jill; Cullen, David M; Hamilton, David; Brown, Richard; Flynn, Alex; Oldfield, Christopher; Page, Emma; Price, Emlyn; Smith, Andrew; Snee, Richard

2016-12-01

Patient-specific absorbed dose calculations for molecular radiotherapy require accurate activity quantification. This is commonly derived from Single-Photon Emission Computed Tomography (SPECT) imaging using a calibration factor relating detected counts to known activity in a phantom insert. A series of phantom inserts, based on the mathematical models underlying many clinical dosimetry calculations, have been produced using 3D printing techniques. SPECT/CT data for the phantom inserts has been used to calculate new organ-specific calibration factors for (99m) Tc and (177)Lu. The measured calibration factors are compared to predicted values from calculations using a Gaussian kernel. Measured SPECT calibration factors for 3D printed organs display a clear dependence on organ shape for (99m) Tc and (177)Lu. The observed variation in calibration factor is reproduced using Gaussian kernel-based calculation over two orders of magnitude change in insert volume for (99m) Tc and (177)Lu. These new organ-specific calibration factors show a 24, 11 and 8 % reduction in absorbed dose for the liver, spleen and kidneys, respectively. Non-spherical calibration factors from 3D printed phantom inserts can significantly improve the accuracy of whole organ activity quantification for molecular radiotherapy, providing a crucial step towards individualised activity quantification and patient-specific dosimetry. 3D printed inserts are found to provide a cost effective and efficient way for clinical centres to access more realistic phantom data.

redNumerical modelling of a peripheral arterial stenosis using dimensionally reduced models and kernel methods.

PubMed

Köppl, Tobias; Santin, Gabriele; Haasdonk, Bernard; Helmig, Rainer

2018-05-06

In this work, we consider two kinds of model reduction techniques to simulate blood flow through the largest systemic arteries, where a stenosis is located in a peripheral artery i.e. in an artery that is located far away from the heart. For our simulations we place the stenosis in one of the tibial arteries belonging to the right lower leg (right post tibial artery). The model reduction techniques that are used are on the one hand dimensionally reduced models (1-D and 0-D models, the so-called mixed-dimension model) and on the other hand surrogate models produced by kernel methods. Both methods are combined in such a way that the mixed-dimension models yield training data for the surrogate model, where the surrogate model is parametrised by the degree of narrowing of the peripheral stenosis. By means of a well-trained surrogate model, we show that simulation data can be reproduced with a satisfactory accuracy and that parameter optimisation or state estimation problems can be solved in a very efficient way. Furthermore it is demonstrated that a surrogate model enables us to present after a very short simulation time the impact of a varying degree of stenosis on blood flow, obtaining a speedup of several orders over the full model. This article is protected by copyright. All rights reserved.

7 CFR 810.202 - Definition of other terms.

Code of Federal Regulations, 2014 CFR

2014-01-01

... barley kernels, other grains, and wild oats that are badly shrunken and distinctly discolored black or... kernels. Kernels and pieces of barley kernels that are distinctly indented, immature or shrunken in...

7 CFR 810.202 - Definition of other terms.

Code of Federal Regulations, 2013 CFR

2013-01-01

... barley kernels, other grains, and wild oats that are badly shrunken and distinctly discolored black or... kernels. Kernels and pieces of barley kernels that are distinctly indented, immature or shrunken in...

7 CFR 810.202 - Definition of other terms.

Code of Federal Regulations, 2012 CFR

2012-01-01

... barley kernels, other grains, and wild oats that are badly shrunken and distinctly discolored black or... kernels. Kernels and pieces of barley kernels that are distinctly indented, immature or shrunken in...

graphkernels: R and Python packages for graph comparison

PubMed Central

Ghisu, M Elisabetta; Llinares-López, Felipe; Borgwardt, Karsten

2018-01-01

Abstract Summary Measuring the similarity of graphs is a fundamental step in the analysis of graph-structured data, which is omnipresent in computational biology. Graph kernels have been proposed as a powerful and efficient approach to this problem of graph comparison. Here we provide graphkernels, the first R and Python graph kernel libraries including baseline kernels such as label histogram based kernels, classic graph kernels such as random walk based kernels, and the state-of-the-art Weisfeiler-Lehman graph kernel. The core of all graph kernels is implemented in C ++ for efficiency. Using the kernel matrices computed by the package, we can easily perform tasks such as classification, regression and clustering on graph-structured samples. Availability and implementation The R and Python packages including source code are available at https://CRAN.R-project.org/package=graphkernels and https://pypi.python.org/pypi/graphkernels. Contact mahito@nii.ac.jp or elisabetta.ghisu@bsse.ethz.ch Supplementary information Supplementary data are available online at Bioinformatics. PMID:29028902

Aflatoxin variability in pistachios.

PubMed Central

Mahoney, N E; Rodriguez, S B

1996-01-01

Pistachio fruit components, including hulls (mesocarps and epicarps), seed coats (testas), and kernels (seeds), all contribute to variable aflatoxin content in pistachios. Fresh pistachio kernels were individually inoculated with Aspergillus flavus and incubated 7 or 10 days. Hulled, shelled kernels were either left intact or wounded prior to inoculation. Wounded kernels, with or without the seed coat, were readily colonized by A. flavus and after 10 days of incubation contained 37 times more aflatoxin than similarly treated unwounded kernels. The aflatoxin levels in the individual wounded pistachios were highly variable. Neither fungal colonization nor aflatoxin was detected in intact kernels without seed coats. Intact kernels with seed coats had limited fungal colonization and low aflatoxin concentrations compared with their wounded counterparts. Despite substantial fungal colonization of wounded hulls, aflatoxin was not detected in hulls. Aflatoxin levels were significantly lower in wounded kernels with hulls than in kernels of hulled pistachios. Both the seed coat and a water-soluble extract of hulls suppressed aflatoxin production by A. flavus. PMID:8919781

graphkernels: R and Python packages for graph comparison.

PubMed

Sugiyama, Mahito; Ghisu, M Elisabetta; Llinares-López, Felipe; Borgwardt, Karsten

2018-02-01

Measuring the similarity of graphs is a fundamental step in the analysis of graph-structured data, which is omnipresent in computational biology. Graph kernels have been proposed as a powerful and efficient approach to this problem of graph comparison. Here we provide graphkernels, the first R and Python graph kernel libraries including baseline kernels such as label histogram based kernels, classic graph kernels such as random walk based kernels, and the state-of-the-art Weisfeiler-Lehman graph kernel. The core of all graph kernels is implemented in C ++ for efficiency. Using the kernel matrices computed by the package, we can easily perform tasks such as classification, regression and clustering on graph-structured samples. The R and Python packages including source code are available at https://CRAN.R-project.org/package=graphkernels and https://pypi.python.org/pypi/graphkernels. mahito@nii.ac.jp or elisabetta.ghisu@bsse.ethz.ch. Supplementary data are available online at Bioinformatics. © The Author(s) 2017. Published by Oxford University Press.

Front propagation and clustering in the stochastic nonlocal Fisher equation

NASA Astrophysics Data System (ADS)

Ganan, Yehuda A.; Kessler, David A.

2018-04-01

In this work, we study the problem of front propagation and pattern formation in the stochastic nonlocal Fisher equation. We find a crossover between two regimes: a steadily propagating regime for not too large interaction range and a stochastic punctuated spreading regime for larger ranges. We show that the former regime is well described by the heuristic approximation of the system by a deterministic system where the linear growth term is cut off below some critical density. This deterministic system is seen not only to give the right front velocity, but also predicts the onset of clustering for interaction kernels which give rise to stable uniform states, such as the Gaussian kernel, for sufficiently large cutoff. Above the critical cutoff, distinct clusters emerge behind the front. These same features are present in the stochastic model for sufficiently small carrying capacity. In the latter, punctuated spreading, regime, the population is concentrated on clusters, as in the infinite range case, which divide and separate as a result of the stochastic noise. Due to the finite interaction range, if a fragment at the edge of the population separates sufficiently far, it stabilizes as a new cluster, and the processes begins anew. The deterministic cutoff model does not have this spreading for large interaction ranges, attesting to its purely stochastic origins. We show that this mode of spreading has an exponentially small mean spreading velocity, decaying with the range of the interaction kernel.

Variable importance in nonlinear kernels (VINK): classification of digitized histopathology.

PubMed

Ginsburg, Shoshana; Ali, Sahirzeeshan; Lee, George; Basavanhally, Ajay; Madabhushi, Anant

2013-01-01

Quantitative histomorphometry is the process of modeling appearance of disease morphology on digitized histopathology images via image-based features (e.g., texture, graphs). Due to the curse of dimensionality, building classifiers with large numbers of features requires feature selection (which may require a large training set) or dimensionality reduction (DR). DR methods map the original high-dimensional features in terms of eigenvectors and eigenvalues, which limits the potential for feature transparency or interpretability. Although methods exist for variable selection and ranking on embeddings obtained via linear DR schemes (e.g., principal components analysis (PCA)), similar methods do not yet exist for nonlinear DR (NLDR) methods. In this work we present a simple yet elegant method for approximating the mapping between the data in the original feature space and the transformed data in the kernel PCA (KPCA) embedding space; this mapping provides the basis for quantification of variable importance in nonlinear kernels (VINK). We show how VINK can be implemented in conjunction with the popular Isomap and Laplacian eigenmap algorithms. VINK is evaluated in the contexts of three different problems in digital pathology: (1) predicting five year PSA failure following radical prostatectomy, (2) predicting Oncotype DX recurrence risk scores for ER+ breast cancers, and (3) distinguishing good and poor outcome p16+ oropharyngeal tumors. We demonstrate that subsets of features identified by VINK provide similar or better classification or regression performance compared to the original high dimensional feature sets.

Front propagation and clustering in the stochastic nonlocal Fisher equation.

PubMed

Ganan, Yehuda A; Kessler, David A

2018-04-01

In this work, we study the problem of front propagation and pattern formation in the stochastic nonlocal Fisher equation. We find a crossover between two regimes: a steadily propagating regime for not too large interaction range and a stochastic punctuated spreading regime for larger ranges. We show that the former regime is well described by the heuristic approximation of the system by a deterministic system where the linear growth term is cut off below some critical density. This deterministic system is seen not only to give the right front velocity, but also predicts the onset of clustering for interaction kernels which give rise to stable uniform states, such as the Gaussian kernel, for sufficiently large cutoff. Above the critical cutoff, distinct clusters emerge behind the front. These same features are present in the stochastic model for sufficiently small carrying capacity. In the latter, punctuated spreading, regime, the population is concentrated on clusters, as in the infinite range case, which divide and separate as a result of the stochastic noise. Due to the finite interaction range, if a fragment at the edge of the population separates sufficiently far, it stabilizes as a new cluster, and the processes begins anew. The deterministic cutoff model does not have this spreading for large interaction ranges, attesting to its purely stochastic origins. We show that this mode of spreading has an exponentially small mean spreading velocity, decaying with the range of the interaction kernel.

Unified heat kernel regression for diffusion, kernel smoothing and wavelets on manifolds and its application to mandible growth modeling in CT images.

PubMed

Chung, Moo K; Qiu, Anqi; Seo, Seongho; Vorperian, Houri K

2015-05-01

We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel method is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. The numerical implementation is validated on a unit sphere using spherical harmonics. As an illustration, the method is applied to characterize the localized growth pattern of mandible surfaces obtained in CT images between ages 0 and 20 by regressing the length of displacement vectors with respect to a surface template. Copyright © 2015 Elsevier B.V. All rights reserved.

Automated segmentation of foveal avascular zone in fundus fluorescein angiography.

PubMed

Zheng, Yalin; Gandhi, Jagdeep Singh; Stangos, Alexandros N; Campa, Claudio; Broadbent, Deborah M; Harding, Simon P

2010-07-01

PURPOSE. To describe and evaluate the performance of a computerized automated segmentation technique for use in quantification of the foveal avascular zone (FAZ). METHODS. A computerized technique for automated segmentation of the FAZ using images from fundus fluorescein angiography (FFA) was applied to 26 transit-phase images obtained from patients with various grades of diabetic retinopathy. The area containing the FAZ zone was first extracted from the original image and smoothed by a Gaussian kernel (sigma = 1.5). An initializing contour was manually placed inside the FAZ of the smoothed image and iteratively moved by the segmentation program toward the FAZ boundary. Five tests with different initializing curves were run on each of 26 images to assess reproducibility. The accuracy of the program was also validated by comparing results obtained by the program with the FAZ boundaries manually delineated by medical retina specialists. Interobserver performance was then evaluated by comparing delineations from two of the experts. RESULTS. One-way analysis of variance indicated that the disparities between different tests were not statistically significant, signifying excellent reproducibility for the computer program. There was a statistically significant linear correlation between the results obtained by automation and manual delineations by experts. CONCLUSIONS. This automated segmentation program can produce highly reproducible results that are comparable to those made by clinical experts. It has the potential to assist in the detection and management of foveal ischemia and to be integrated into automated grading systems.

SPHYNX: an accurate density-based SPH method for astrophysical applications

NASA Astrophysics Data System (ADS)

Cabezón, R. M.; García-Senz, D.; Figueira, J.

2017-10-01

Aims: Hydrodynamical instabilities and shocks are ubiquitous in astrophysical scenarios. Therefore, an accurate numerical simulation of these phenomena is mandatory to correctly model and understand many astrophysical events, such as supernovas, stellar collisions, or planetary formation. In this work, we attempt to address many of the problems that a commonly used technique, smoothed particle hydrodynamics (SPH), has when dealing with subsonic hydrodynamical instabilities or shocks. To that aim we built a new SPH code named SPHYNX, that includes many of the recent advances in the SPH technique and some other new ones, which we present here. Methods: SPHYNX is of Newtonian type and grounded in the Euler-Lagrange formulation of the smoothed-particle hydrodynamics technique. Its distinctive features are: the use of an integral approach to estimating the gradients; the use of a flexible family of interpolators called sinc kernels, which suppress pairing instability; and the incorporation of a new type of volume element which provides a better partition of the unity. Unlike other modern formulations, which consider volume elements linked to pressure, our volume element choice relies on density. SPHYNX is, therefore, a density-based SPH code. Results: A novel computational hydrodynamic code oriented to Astrophysical applications is described, discussed, and validated in the following pages. The ensuing code conserves mass, linear and angular momentum, energy, entropy, and preserves kernel normalization even in strong shocks. In our proposal, the estimation of gradients is enhanced using an integral approach. Additionally, we introduce a new family of volume elements which reduce the so-called tensile instability. Both features help to suppress the damp which often prevents the growth of hydrodynamic instabilities in regular SPH codes. Conclusions: On the whole, SPHYNX has passed the verification tests described below. For identical particle setting and initial conditions the results were similar (or better in some particular cases) than those obtained with other SPH schemes such as GADGET-2, PSPH or with the recent density-independent formulation (DISPH) and conservative reproducing kernel (CRKSPH) techniques.

Comparing Alternative Kernels for the Kernel Method of Test Equating: Gaussian, Logistic, and Uniform Kernels. Research Report. ETS RR-08-12

ERIC Educational Resources Information Center

Lee, Yi-Hsuan; von Davier, Alina A.

2008-01-01

The kernel equating method (von Davier, Holland, & Thayer, 2004) is based on a flexible family of equipercentile-like equating functions that use a Gaussian kernel to continuize the discrete score distributions. While the classical equipercentile, or percentile-rank, equating method carries out the continuization step by linear interpolation,…

7 CFR 810.204 - Grades and grade requirements for Six-rowed Malting barley and Six-rowed Blue Malting barley.

Code of Federal Regulations, 2010 CFR

2010-01-01

...— Damaged kernels 1 (percent) Foreign material (percent) Other grains (percent) Skinned and broken kernels....0 10.0 15.0 1 Injured-by-frost kernels and injured-by-mold kernels are not considered damaged kernels or considered against sound barley. Notes: Malting barley shall not be infested in accordance with...

7 CFR 51.1413 - Damage.

Code of Federal Regulations, 2013 CFR

2013-01-01

... well cured; (e) Poorly developed kernels; (f) Kernels which are dark amber in color; (g) Kernel spots when more than one dark spot is present on either half of the kernel, or when any such spot is more...

7 CFR 51.1413 - Damage.

Code of Federal Regulations, 2014 CFR

2014-01-01

... well cured; (e) Poorly developed kernels; (f) Kernels which are dark amber in color; (g) Kernel spots when more than one dark spot is present on either half of the kernel, or when any such spot is more...

7 CFR 810.205 - Grades and grade requirements for Two-rowed Malting barley.

Code of Federal Regulations, 2010 CFR

2010-01-01

... (percent) Maximum limits of— Wild oats (percent) Foreign material (percent) Skinned and broken kernels... Injured-by-frost kernels and injured-by-mold kernels are not considered damaged kernels or considered...

Exchange and correlation effects on plasmon dispersions and Coulomb drag in low-density electron bilayers

NASA Astrophysics Data System (ADS)

Badalyan, S. M.; Kim, C. S.; Vignale, G.; Senatore, G.

2007-03-01

We investigate the effect of exchange and correlation (XC) on the plasmon spectrum and the Coulomb drag between spatially separated low-density two-dimensional electron layers. We adopt a different approach, which employs dynamic XC kernels in the calculation of the bilayer plasmon spectra and of the plasmon-mediated drag, and static many-body local field factors in the calculation of the particle-hole contribution to the drag. The spectrum of bilayer plasmons and the drag resistivity are calculated in a broad range of temperatures taking into account both intra- and interlayer correlation effects. We observe that both plasmon modes are strongly affected by XC corrections. After the inclusion of the complex dynamic XC kernels, a decrease of the electron density induces shifts of the plasmon branches in opposite directions. This is in stark contrast with the tendency observed within random phase approximation that both optical and acoustical plasmons move away from the boundary of the particle-hole continuum with a decrease in the electron density. We find that the introduction of XC corrections results in a significant enhancement of the transresistivity and qualitative changes in its temperature dependence. In particular, the large high-temperature plasmon peak that is present in the random phase approximation is found to disappear when the XC corrections are included. Our numerical results at low temperatures are in good agreement with the results of recent experiments by Kellogg [Solid State Commun. 123, 515 (2002)].

Irradiation performance of HTGR fuel rods in HFIR experiments HRB-7 and -8

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

Valentine, K.H.; Homan, F.J.; Long, E.L. Jr.

1977-05-01

The HRB-7 and -8 experiments were designed as a comprehensive test of mixed thorium-uranium oxide fissile particles with Th:U ratios from 0 to 8 for HTGR recycle application. In addition, fissile particles derived from Weak-Acid Resin (WAR) were tested as a potential backup type of fissile particle for HTGR recycle. These experiments were conducted at two temperatures (1250 and 1500/sup 0/C) to determine the influence of operating temperature on the performance parameters studied. The minor objectives were comparison of advanced coating designs where ZrC replaced SiC in the Triso design, testing of fuel coated in laboratory-scale equipment with fuel coatedmore » in production-scale coaters, comparison of the performance of /sup 233/U-bearing particles with that of /sup 235/U-bearing particles, comparison of the performance of Biso coatings with Triso coatings for particles containing the same type of kernel, and testing of multijunction tungsten-rhenium thermocouples. All objectives were accomplished. As a result of these experiments the mixed thorium-uranium oxide fissile kernel was replaced by a WAR-derived particle in the reference recycle design. A tentative decision to make this change had been reached before the HRB-7 and -8 capsules were examined, and the results of the examination confirmed the accuracy of the previous decision. Even maximum dilution (Th/U approximately equal to 8) of the mixed thorium-uranium oxide kernel was insufficient to prevent amoeba of the kernels at rates that are unacceptable in a large HTGR. Other results showed the performance of /sup 233/U-bearing particles to be identical to that of /sup 235/U-bearing particles, the performance of fuel coated in production-scale equipment to be at least as good as that of fuel coated in laboratory-scale coaters, the performance of ZrC coatings to be very promising, and Biso coatings to be inferior to Triso coatings relative to fission product retention.« less

A new concept of pencil beam dose calculation for 40-200 keV photons using analytical dose kernels.

PubMed

Bartzsch, Stefan; Oelfke, Uwe

2013-11-01

The advent of widespread kV-cone beam computer tomography in image guided radiation therapy and special therapeutic application of keV photons, e.g., in microbeam radiation therapy (MRT) require accurate and fast dose calculations for photon beams with energies between 40 and 200 keV. Multiple photon scattering originating from Compton scattering and the strong dependence of the photoelectric cross section on the atomic number of the interacting tissue render these dose calculations by far more challenging than the ones established for corresponding MeV beams. That is why so far developed analytical models of kV photon dose calculations fail to provide the required accuracy and one has to rely on time consuming Monte Carlo simulation techniques. In this paper, the authors introduce a novel analytical approach for kV photon dose calculations with an accuracy that is almost comparable to the one of Monte Carlo simulations. First, analytical point dose and pencil beam kernels are derived for homogeneous media and compared to Monte Carlo simulations performed with the Geant4 toolkit. The dose contributions are systematically separated into contributions from the relevant orders of multiple photon scattering. Moreover, approximate scaling laws for the extension of the algorithm to inhomogeneous media are derived. The comparison of the analytically derived dose kernels in water showed an excellent agreement with the Monte Carlo method. Calculated values deviate less than 5% from Monte Carlo derived dose values, for doses above 1% of the maximum dose. The analytical structure of the kernels allows adaption to arbitrary materials and photon spectra in the given energy range of 40-200 keV. The presented analytical methods can be employed in a fast treatment planning system for MRT. In convolution based algorithms dose calculation times can be reduced to a few minutes.

Candidate gene prioritization by network analysis of differential expression using machine learning approaches

PubMed Central

2010-01-01

Background Discovering novel disease genes is still challenging for diseases for which no prior knowledge - such as known disease genes or disease-related pathways - is available. Performing genetic studies frequently results in large lists of candidate genes of which only few can be followed up for further investigation. We have recently developed a computational method for constitutional genetic disorders that identifies the most promising candidate genes by replacing prior knowledge by experimental data of differential gene expression between affected and healthy individuals. To improve the performance of our prioritization strategy, we have extended our previous work by applying different machine learning approaches that identify promising candidate genes by determining whether a gene is surrounded by highly differentially expressed genes in a functional association or protein-protein interaction network. Results We have proposed three strategies scoring disease candidate genes relying on network-based machine learning approaches, such as kernel ridge regression, heat kernel, and Arnoldi kernel approximation. For comparison purposes, a local measure based on the expression of the direct neighbors is also computed. We have benchmarked these strategies on 40 publicly available knockout experiments in mice, and performance was assessed against results obtained using a standard procedure in genetics that ranks candidate genes based solely on their differential expression levels (Simple Expression Ranking). Our results showed that our four strategies could outperform this standard procedure and that the best results were obtained using the Heat Kernel Diffusion Ranking leading to an average ranking position of 8 out of 100 genes, an AUC value of 92.3% and an error reduction of 52.8% relative to the standard procedure approach which ranked the knockout gene on average at position 17 with an AUC value of 83.7%. Conclusion In this study we could identify promising candidate genes using network based machine learning approaches even if no knowledge is available about the disease or phenotype. PMID:20840752

Simultaneous Tumor Segmentation, Image Restoration, and Blur Kernel Estimation in PET Using Multiple Regularizations

PubMed Central

Li, Laquan; Wang, Jian; Lu, Wei; Tan, Shan

2016-01-01

Accurate tumor segmentation from PET images is crucial in many radiation oncology applications. Among others, partial volume effect (PVE) is recognized as one of the most important factors degrading imaging quality and segmentation accuracy in PET. Taking into account that image restoration and tumor segmentation are tightly coupled and can promote each other, we proposed a variational method to solve both problems simultaneously in this study. The proposed method integrated total variation (TV) semi-blind de-convolution and Mumford-Shah segmentation with multiple regularizations. Unlike many existing energy minimization methods using either TV or L2 regularization, the proposed method employed TV regularization over tumor edges to preserve edge information, and L2 regularization inside tumor regions to preserve the smooth change of the metabolic uptake in a PET image. The blur kernel was modeled as anisotropic Gaussian to address the resolution difference in transverse and axial directions commonly seen in a clinic PET scanner. The energy functional was rephrased using the Γ-convergence approximation and was iteratively optimized using the alternating minimization (AM) algorithm. The performance of the proposed method was validated on a physical phantom and two clinic datasets with non-Hodgkin’s lymphoma and esophageal cancer, respectively. Experimental results demonstrated that the proposed method had high performance for simultaneous image restoration, tumor segmentation and scanner blur kernel estimation. Particularly, the recovery coefficients (RC) of the restored images of the proposed method in the phantom study were close to 1, indicating an efficient recovery of the original blurred images; for segmentation the proposed method achieved average dice similarity indexes (DSIs) of 0.79 and 0.80 for two clinic datasets, respectively; and the relative errors of the estimated blur kernel widths were less than 19% in the transversal direction and 7% in the axial direction. PMID:28603407

Phonons around a soliton in a continuum model of t-(CH)x

NASA Astrophysics Data System (ADS)

Ono, Y.; Terai, A.; Wada, Y.

1986-05-01

The eigenvalue problem for phonons around a soliton in a continuum model of trans-polyacetylene t-(CH)x, the so-called TLM model (Takayama et al, 1980), is reinvestigated using a kernel which satisfies the correct boundary condition. The three localized modes are reproduced, two with even parity and one with odd parity. The phase-shift analysis of the extended modes confirms their existence if the one-dimensional version of Levinson's theorem is applicable to the present problem. It is found that the phase shifts of even and odd modes differ from each other in the long-wavelength limit. The conclusion of Ito et al. (1984), that the scattering of phonons by the soliton is reflectionless, has to be modified in this limit, where phonons suffer reflection from the soliton.

A Grassmann graph embedding framework for gait analysis

NASA Astrophysics Data System (ADS)

Connie, Tee; Goh, Michael Kah Ong; Teoh, Andrew Beng Jin

2014-12-01

Gait recognition is important in a wide range of monitoring and surveillance applications. Gait information has often been used as evidence when other biometrics is indiscernible in the surveillance footage. Building on recent advances of the subspace-based approaches, we consider the problem of gait recognition on the Grassmann manifold. We show that by embedding the manifold into reproducing kernel Hilbert space and applying the mechanics of graph embedding on such manifold, significant performance improvement can be obtained. In this work, the gait recognition problem is studied in a unified way applicable for both supervised and unsupervised configurations. Sparse representation is further incorporated in the learning mechanism to adaptively harness the local structure of the data. Experiments demonstrate that the proposed method can tolerate variations in appearance for gait identification effectively.

Noncommutative coherent states and related aspects of Berezin-Toeplitz quantization

NASA Astrophysics Data System (ADS)

Hasibul Hassan Chowdhury, S.; Twareque Ali, S.; Engliš, Miroslav

2017-05-01

In this paper, we construct noncommutative coherent states using various families of unitary irreducible representations (UIRs) of Gnc , a connected, simply connected nilpotent Lie group, which was identified as the kinematical symmetry group of noncommutative quantum mechanics for a system of two degrees of freedom in an earlier paper. Similarly described are the degenerate noncommutative coherent states arising from the degenerate UIRs of Gnc . We then compute the reproducing kernels associated with both these families of coherent states and study the Berezin-Toeplitz quantization of the observables on the underlying 4-dimensional phase space, analyzing in particular the semi-classical asymptotics for both these cases. Dedicated by the first and the third authors to the memory of the second author, with gratitude for his friendship and for all they learnt from him.

The generalization ability of online SVM classification based on Markov sampling.

PubMed

Xu, Jie; Yan Tang, Yuan; Zou, Bin; Xu, Zongben; Li, Luoqing; Lu, Yang

2015-03-01

In this paper, we consider online support vector machine (SVM) classification learning algorithms with uniformly ergodic Markov chain (u.e.M.c.) samples. We establish the bound on the misclassification error of an online SVM classification algorithm with u.e.M.c. samples based on reproducing kernel Hilbert spaces and obtain a satisfactory convergence rate. We also introduce a novel online SVM classification algorithm based on Markov sampling, and present the numerical studies on the learning ability of online SVM classification based on Markov sampling for benchmark repository. The numerical studies show that the learning performance of the online SVM classification algorithm based on Markov sampling is better than that of classical online SVM classification based on random sampling as the size of training samples is larger.

Efficient searching in meshfree methods

NASA Astrophysics Data System (ADS)

Olliff, James; Alford, Brad; Simkins, Daniel C.

2018-04-01

Meshfree methods such as the Reproducing Kernel Particle Method and the Element Free Galerkin method have proven to be excellent choices for problems involving complex geometry, evolving topology, and large deformation, owing to their ability to model the problem domain without the constraints imposed on the Finite Element Method (FEM) meshes. However, meshfree methods have an added computational cost over FEM that come from at least two sources: increased cost of shape function evaluation and the determination of adjacency or connectivity. The focus of this paper is to formally address the types of adjacency information that arises in various uses of meshfree methods; a discussion of available techniques for computing the various adjacency graphs; propose a new search algorithm and data structure; and finally compare the memory and run time performance of the methods.

A biorthogonal decomposition for the identification and simulation of non-stationary and non-Gaussian random fields

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

Zentner, I.; Ferré, G., E-mail: gregoire.ferre@ponts.org; Poirion, F.

2016-06-01

In this paper, a new method for the identification and simulation of non-Gaussian and non-stationary stochastic fields given a database is proposed. It is based on two successive biorthogonal decompositions aiming at representing spatio–temporal stochastic fields. The proposed double expansion allows to build the model even in the case of large-size problems by separating the time, space and random parts of the field. A Gaussian kernel estimator is used to simulate the high dimensional set of random variables appearing in the decomposition. The capability of the method to reproduce the non-stationary and non-Gaussian features of random phenomena is illustrated bymore » applications to earthquakes (seismic ground motion) and sea states (wave heights).« less

Detection of ochratoxin A contamination in stored wheat using near-infrared hyperspectral imaging

NASA Astrophysics Data System (ADS)

Senthilkumar, T.; Jayas, D. S.; White, N. D. G.; Fields, P. G.; Gräfenhan, T.

2017-03-01

Near-infrared (NIR) hyperspectral imaging system was used to detect five concentration levels of ochratoxin A (OTA) in contaminated wheat kernels. The wheat kernels artificially inoculated with two different OTA producing Penicillium verrucosum strains, two different non-toxigenic P. verrucosum strains, and sterile control wheat kernels were subjected to NIR hyperspectral imaging. The acquired three-dimensional data were reshaped into readable two-dimensional data. Principal Component Analysis (PCA) was applied to the two dimensional data to identify the key wavelengths which had greater significance in detecting OTA contamination in wheat. Statistical and histogram features extracted at the key wavelengths were used in the linear, quadratic and Mahalanobis statistical discriminant models to differentiate between sterile control, five concentration levels of OTA contamination in wheat kernels, and five infection levels of non-OTA producing P. verrucosum inoculated wheat kernels. The classification models differentiated sterile control samples from OTA contaminated wheat kernels and non-OTA producing P. verrucosum inoculated wheat kernels with a 100% accuracy. The classification models also differentiated between five concentration levels of OTA contaminated wheat kernels and between five infection levels of non-OTA producing P. verrucosum inoculated wheat kernels with a correct classification of more than 98%. The non-OTA producing P. verrucosum inoculated wheat kernels and OTA contaminated wheat kernels subjected to hyperspectral imaging provided different spectral patterns.

Application of kernel method in fluorescence molecular tomography

NASA Astrophysics Data System (ADS)

Zhao, Yue; Baikejiang, Reheman; Li, Changqing

2017-02-01

Reconstruction of fluorescence molecular tomography (FMT) is an ill-posed inverse problem. Anatomical guidance in the FMT reconstruction can improve FMT reconstruction efficiently. We have developed a kernel method to introduce the anatomical guidance into FMT robustly and easily. The kernel method is from machine learning for pattern analysis and is an efficient way to represent anatomical features. For the finite element method based FMT reconstruction, we calculate a kernel function for each finite element node from an anatomical image, such as a micro-CT image. Then the fluorophore concentration at each node is represented by a kernel coefficient vector and the corresponding kernel function. In the FMT forward model, we have a new system matrix by multiplying the sensitivity matrix with the kernel matrix. Thus, the kernel coefficient vector is the unknown to be reconstructed following a standard iterative reconstruction process. We convert the FMT reconstruction problem into the kernel coefficient reconstruction problem. The desired fluorophore concentration at each node can be calculated accordingly. Numerical simulation studies have demonstrated that the proposed kernel-based algorithm can improve the spatial resolution of the reconstructed FMT images. In the proposed kernel method, the anatomical guidance can be obtained directly from the anatomical image and is included in the forward modeling. One of the advantages is that we do not need to segment the anatomical image for the targets and background.

Credit scoring analysis using kernel discriminant

NASA Astrophysics Data System (ADS)

Widiharih, T.; Mukid, M. A.; Mustafid

2018-05-01

Credit scoring model is an important tool for reducing the risk of wrong decisions when granting credit facilities to applicants. This paper investigate the performance of kernel discriminant model in assessing customer credit risk. Kernel discriminant analysis is a non- parametric method which means that it does not require any assumptions about the probability distribution of the input. The main ingredient is a kernel that allows an efficient computation of Fisher discriminant. We use several kernel such as normal, epanechnikov, biweight, and triweight. The models accuracy was compared each other using data from a financial institution in Indonesia. The results show that kernel discriminant can be an alternative method that can be used to determine who is eligible for a credit loan. In the data we use, it shows that a normal kernel is relevant to be selected for credit scoring using kernel discriminant model. Sensitivity and specificity reach to 0.5556 and 0.5488 respectively.

Unified Heat Kernel Regression for Diffusion, Kernel Smoothing and Wavelets on Manifolds and Its Application to Mandible Growth Modeling in CT Images

PubMed Central

Chung, Moo K.; Qiu, Anqi; Seo, Seongho; Vorperian, Houri K.

2014-01-01

We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel regression is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. Unlike many previous partial differential equation based approaches involving diffusion, our approach represents the solution of diffusion analytically, reducing numerical inaccuracy and slow convergence. The numerical implementation is validated on a unit sphere using spherical harmonics. As an illustration, we have applied the method in characterizing the localized growth pattern of mandible surfaces obtained in CT images from subjects between ages 0 and 20 years by regressing the length of displacement vectors with respect to the template surface. PMID:25791435

Correlation and classification of single kernel fluorescence hyperspectral data with aflatoxin concentration in corn kernels inoculated with Aspergillus flavus spores.

PubMed

Yao, H; Hruska, Z; Kincaid, R; Brown, R; Cleveland, T; Bhatnagar, D

2010-05-01

The objective of this study was to examine the relationship between fluorescence emissions of corn kernels inoculated with Aspergillus flavus and aflatoxin contamination levels within the kernels. Aflatoxin contamination in corn has been a long-standing problem plaguing the grain industry with potentially devastating consequences to corn growers. In this study, aflatoxin-contaminated corn kernels were produced through artificial inoculation of corn ears in the field with toxigenic A. flavus spores. The kernel fluorescence emission data were taken with a fluorescence hyperspectral imaging system when corn kernels were excited with ultraviolet light. Raw fluorescence image data were preprocessed and regions of interest in each image were created for all kernels. The regions of interest were used to extract spectral signatures and statistical information. The aflatoxin contamination level of single corn kernels was then chemically measured using affinity column chromatography. A fluorescence peak shift phenomenon was noted among different groups of kernels with different aflatoxin contamination levels. The fluorescence peak shift was found to move more toward the longer wavelength in the blue region for the highly contaminated kernels and toward the shorter wavelengths for the clean kernels. Highly contaminated kernels were also found to have a lower fluorescence peak magnitude compared with the less contaminated kernels. It was also noted that a general negative correlation exists between measured aflatoxin and the fluorescence image bands in the blue and green regions. The correlation coefficients of determination, r(2), was 0.72 for the multiple linear regression model. The multivariate analysis of variance found that the fluorescence means of four aflatoxin groups, <1, 1-20, 20-100, and >or=100 ng g(-1) (parts per billion), were significantly different from each other at the 0.01 level of alpha. Classification accuracy under a two-class schema ranged from 0.84 to 0.91 when a threshold of either 20 or 100 ng g(-1) was used. Overall, the results indicate that fluorescence hyperspectral imaging may be applicable in estimating aflatoxin content in individual corn kernels.

Classification of Phylogenetic Profiles for Protein Function Prediction: An SVM Approach

NASA Astrophysics Data System (ADS)

Kotaru, Appala Raju; Joshi, Ramesh C.

Predicting the function of an uncharacterized protein is a major challenge in post-genomic era due to problems complexity and scale. Having knowledge of protein function is a crucial link in the development of new drugs, better crops, and even the development of biochemicals such as biofuels. Recently numerous high-throughput experimental procedures have been invented to investigate the mechanisms leading to the accomplishment of a protein’s function and Phylogenetic profile is one of them. Phylogenetic profile is a way of representing a protein which encodes evolutionary history of proteins. In this paper we proposed a method for classification of phylogenetic profiles using supervised machine learning method, support vector machine classification along with radial basis function as kernel for identifying functionally linked proteins. We experimentally evaluated the performance of the classifier with the linear kernel, polynomial kernel and compared the results with the existing tree kernel. In our study we have used proteins of the budding yeast saccharomyces cerevisiae genome. We generated the phylogenetic profiles of 2465 yeast genes and for our study we used the functional annotations that are available in the MIPS database. Our experiments show that the performance of the radial basis kernel is similar to polynomial kernel is some functional classes together are better than linear, tree kernel and over all radial basis kernel outperformed the polynomial kernel, linear kernel and tree kernel. In analyzing these results we show that it will be feasible to make use of SVM classifier with radial basis function as kernel to predict the gene functionality using phylogenetic profiles.

Intraear Compensation of Field Corn, Zea mays, from Simulated and Naturally Occurring Injury by Ear-Feeding Larvae.

PubMed

Steckel, S; Stewart, S D

2015-06-01

Ear-feeding larvae, such as corn earworm, Helicoverpa zea Boddie (Lepidoptera: Noctuidae), can be important insect pests of field corn, Zea mays L., by feeding on kernels. Recently introduced, stacked Bacillus thuringiensis (Bt) traits provide improved protection from ear-feeding larvae. Thus, our objective was to evaluate how injury to kernels in the ear tip might affect yield when this injury was inflicted at the blister and milk stages. In 2010, simulated corn earworm injury reduced total kernel weight (i.e., yield) at both the blister and milk stage. In 2011, injury to ear tips at the milk stage affected total kernel weight. No differences in total kernel weight were found in 2013, regardless of when or how much injury was inflicted. Our data suggested that kernels within the same ear could compensate for injury to ear tips by increasing in size, but this increase was not always statistically significant or sufficient to overcome high levels of kernel injury. For naturally occurring injury observed on multiple corn hybrids during 2011 and 2012, our analyses showed either no or a minimal relationship between number of kernels injured by ear-feeding larvae and the total number of kernels per ear, total kernel weight, or the size of individual kernels. The results indicate that intraear compensation for kernel injury to ear tips can occur under at least some conditions. © The Authors 2015. Published by Oxford University Press on behalf of Entomological Society of America. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Evidence-based Kernels: Fundamental Units of Behavioral Influence

PubMed Central

Biglan, Anthony

2008-01-01

This paper describes evidence-based kernels, fundamental units of behavioral influence that appear to underlie effective prevention and treatment for children, adults, and families. A kernel is a behavior–influence procedure shown through experimental analysis to affect a specific behavior and that is indivisible in the sense that removing any of its components would render it inert. Existing evidence shows that a variety of kernels can influence behavior in context, and some evidence suggests that frequent use or sufficient use of some kernels may produce longer lasting behavioral shifts. The analysis of kernels could contribute to an empirically based theory of behavioral influence, augment existing prevention or treatment efforts, facilitate the dissemination of effective prevention and treatment practices, clarify the active ingredients in existing interventions, and contribute to efficiently developing interventions that are more effective. Kernels involve one or more of the following mechanisms of behavior influence: reinforcement, altering antecedents, changing verbal relational responding, or changing physiological states directly. The paper describes 52 of these kernels, and details practical, theoretical, and research implications, including calling for a national database of kernels that influence human behavior. PMID:18712600

Integrating the Gradient of the Thin Wire Kernel

NASA Technical Reports Server (NTRS)

Champagne, Nathan J.; Wilton, Donald R.

2008-01-01

A formulation for integrating the gradient of the thin wire kernel is presented. This approach employs a new expression for the gradient of the thin wire kernel derived from a recent technique for numerically evaluating the exact thin wire kernel. This approach should provide essentially arbitrary accuracy and may be used with higher-order elements and basis functions using the procedure described in [4].When the source and observation points are close, the potential integrals over wire segments involving the wire kernel are split into parts to handle the singular behavior of the integrand [1]. The singularity characteristics of the gradient of the wire kernel are different than those of the wire kernel, and the axial and radial components have different singularities. The characteristics of the gradient of the wire kernel are discussed in [2]. To evaluate the near electric and magnetic fields of a wire, the integration of the gradient of the wire kernel needs to be calculated over the source wire. Since the vector bases for current have constant direction on linear wire segments, these integrals reduce to integrals of the form

Skel: Generative Software for Producing Skeletal I/O Applications

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

Logan, J.; Klasky, S.; Lofstead, J.

2011-01-01

Massively parallel computations consist of a mixture of computation, communication, and I/O. As part of the co-design for the inevitable progress towards exascale computing, we must apply lessons learned from past work to succeed in this new age of computing. Of the three components listed above, implementing an effective parallel I/O solution has often been overlooked by application scientists and was usually added to large scale simulations only when existing serial techniques had failed. As scientists teams scaled their codes to run on hundreds of processors, it was common to call on an I/O expert to implement a set ofmore » more scalable I/O routines. These routines were easily separated from the calculations and communication, and in many cases, an I/O kernel was derived from the application which could be used for testing I/O performance independent of the application. These I/O kernels developed a life of their own used as a broad measure for comparing different I/O techniques. Unfortunately, as years passed and computation and communication changes required changes to the I/O, the separate I/O kernel used for benchmarking remained static no longer providing an accurate indicator of the I/O performance of the simulation making I/O research less relevant for the application scientists. In this paper we describe a new approach to this problem where I/O kernels are replaced with skeletal I/O applications automatically generated from an abstract set of simulation I/O parameters. We realize this abstraction by leveraging the ADIOS middleware's XML I/O specification with additional runtime parameters. Skeletal applications offer all of the benefits of I/O kernels including allowing I/O optimizations to focus on useful I/O patterns. Moreover, since they are automatically generated, it is easy to produce an updated I/O skeleton whenever the simulation's I/O changes. In this paper we analyze the performance of automatically generated I/O skeletal applications for the S3D and GTS codes. We show that these skeletal applications achieve performance comparable to that of the production applications. We wrap up the paper with a discussion of future changes to make the skeletal application better approximate the actual I/O performed in the simulation.« less

21 CFR 182.40 - Natural extractives (solvent-free) used in conjunction with spices, seasonings, and flavorings.

Code of Federal Regulations, 2011 CFR

2011-04-01

... source Apricot kernel (persic oil) Prunus armeniaca L. Peach kernel (persic oil) Prunus persica Sieb. et Zucc. Peanut stearine Arachis hypogaea L. Persic oil (see apricot kernel and peach kernel) Quince seed...

21 CFR 182.40 - Natural extractives (solvent-free) used in conjunction with spices, seasonings, and flavorings.

Code of Federal Regulations, 2013 CFR

2013-04-01

... source Apricot kernel (persic oil) Prunus armeniaca L. Peach kernel (persic oil) Prunus persica Sieb. et Zucc. Peanut stearine Arachis hypogaea L. Persic oil (see apricot kernel and peach kernel) Quince seed...

21 CFR 182.40 - Natural extractives (solvent-free) used in conjunction with spices, seasonings, and flavorings.

Code of Federal Regulations, 2012 CFR

2012-04-01

... source Apricot kernel (persic oil) Prunus armeniaca L. Peach kernel (persic oil) Prunus persica Sieb. et Zucc. Peanut stearine Arachis hypogaea L. Persic oil (see apricot kernel and peach kernel) Quince seed...

Wigner functions defined with Laplace transform kernels.

PubMed

Oh, Se Baek; Petruccelli, Jonathan C; Tian, Lei; Barbastathis, George

2011-10-24

We propose a new Wigner-type phase-space function using Laplace transform kernels--Laplace kernel Wigner function. Whereas momentum variables are real in the traditional Wigner function, the Laplace kernel Wigner function may have complex momentum variables. Due to the property of the Laplace transform, a broader range of signals can be represented in complex phase-space. We show that the Laplace kernel Wigner function exhibits similar properties in the marginals as the traditional Wigner function. As an example, we use the Laplace kernel Wigner function to analyze evanescent waves supported by surface plasmon polariton. © 2011 Optical Society of America

Influence of wheat kernel physical properties on the pulverizing process.

PubMed

Dziki, Dariusz; Cacak-Pietrzak, Grażyna; Miś, Antoni; Jończyk, Krzysztof; Gawlik-Dziki, Urszula

2014-10-01

The physical properties of wheat kernel were determined and related to pulverizing performance by correlation analysis. Nineteen samples of wheat cultivars about similar level of protein content (11.2-12.8 % w.b.) and obtained from organic farming system were used for analysis. The kernel (moisture content 10 % w.b.) was pulverized by using the laboratory hammer mill equipped with round holes 1.0 mm screen. The specific grinding energy ranged from 120 kJkg(-1) to 159 kJkg(-1). On the basis of data obtained many of significant correlations (p < 0.05) were found between wheat kernel physical properties and pulverizing process of wheat kernel, especially wheat kernel hardness index (obtained on the basis of Single Kernel Characterization System) and vitreousness significantly and positively correlated with the grinding energy indices and the mass fraction of coarse particles (> 0.5 mm). Among the kernel mechanical properties determined on the basis of uniaxial compression test only the rapture force was correlated with the impact grinding results. The results showed also positive and significant relationships between kernel ash content and grinding energy requirements. On the basis of wheat physical properties the multiple linear regression was proposed for predicting the average particle size of pulverized kernel.

Relationship between processing score and kernel-fraction particle size in whole-plant corn silage.

PubMed

Dias Junior, G S; Ferraretto, L F; Salvati, G G S; de Resende, L C; Hoffman, P C; Pereira, M N; Shaver, R D

2016-04-01

Kernel processing increases starch digestibility in whole-plant corn silage (WPCS). Corn silage processing score (CSPS), the percentage of starch passing through a 4.75-mm sieve, is widely used to assess degree of kernel breakage in WPCS. However, the geometric mean particle size (GMPS) of the kernel-fraction that passes through the 4.75-mm sieve has not been well described. Therefore, the objectives of this study were (1) to evaluate particle size distribution and digestibility of kernels cut in varied particle sizes; (2) to propose a method to measure GMPS in WPCS kernels; and (3) to evaluate the relationship between CSPS and GMPS of the kernel fraction in WPCS. Composite samples of unfermented, dried kernels from 110 corn hybrids commonly used for silage production were kept whole (WH) or manually cut in 2, 4, 8, 16, 32 or 64 pieces (2P, 4P, 8P, 16P, 32P, and 64P, respectively). Dry sieving to determine GMPS, surface area, and particle size distribution using 9 sieves with nominal square apertures of 9.50, 6.70, 4.75, 3.35, 2.36, 1.70, 1.18, and 0.59 mm and pan, as well as ruminal in situ dry matter (DM) digestibilities were performed for each kernel particle number treatment. Incubation times were 0, 3, 6, 12, and 24 h. The ruminal in situ DM disappearance of unfermented kernels increased with the reduction in particle size of corn kernels. Kernels kept whole had the lowest ruminal DM disappearance for all time points with maximum DM disappearance of 6.9% at 24 h and the greatest disappearance was observed for 64P, followed by 32P and 16P. Samples of WPCS (n=80) from 3 studies representing varied theoretical length of cut settings and processor types and settings were also evaluated. Each WPCS sample was divided in 2 and then dried at 60 °C for 48 h. The CSPS was determined in duplicate on 1 of the split samples, whereas on the other split sample the kernel and stover fractions were separated using a hydrodynamic separation procedure. After separation, the kernel fraction was redried at 60°C for 48 h in a forced-air oven and dry sieved to determine GMPS and surface area. Linear relationships between CSPS from WPCS (n=80) and kernel fraction GMPS, surface area, and proportion passing through the 4.75-mm screen were poor. Strong quadratic relationships between proportion of kernel fraction passing through the 4.75-mm screen and kernel fraction GMPS and surface area were observed. These findings suggest that hydrodynamic separation and dry sieving of the kernel fraction may provide a better assessment of kernel breakage in WPCS than CSPS. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Classification of corn kernels contaminated with aflatoxins using fluorescence and reflectance hyperspectral images analysis

NASA Astrophysics Data System (ADS)

Zhu, Fengle; Yao, Haibo; Hruska, Zuzana; Kincaid, Russell; Brown, Robert; Bhatnagar, Deepak; Cleveland, Thomas

2015-05-01

Aflatoxins are secondary metabolites produced by certain fungal species of the Aspergillus genus. Aflatoxin contamination remains a problem in agricultural products due to its toxic and carcinogenic properties. Conventional chemical methods for aflatoxin detection are time-consuming and destructive. This study employed fluorescence and reflectance visible near-infrared (VNIR) hyperspectral images to classify aflatoxin contaminated corn kernels rapidly and non-destructively. Corn ears were artificially inoculated in the field with toxigenic A. flavus spores at the early dough stage of kernel development. After harvest, a total of 300 kernels were collected from the inoculated ears. Fluorescence hyperspectral imagery with UV excitation and reflectance hyperspectral imagery with halogen illumination were acquired on both endosperm and germ sides of kernels. All kernels were then subjected to chemical analysis individually to determine aflatoxin concentrations. A region of interest (ROI) was created for each kernel to extract averaged spectra. Compared with healthy kernels, fluorescence spectral peaks for contaminated kernels shifted to longer wavelengths with lower intensity, and reflectance values for contaminated kernels were lower with a different spectral shape in 700-800 nm region. Principal component analysis was applied for data compression before classifying kernels into contaminated and healthy based on a 20 ppb threshold utilizing the K-nearest neighbors algorithm. The best overall accuracy achieved was 92.67% for germ side in the fluorescence data analysis. The germ side generally performed better than endosperm side. Fluorescence and reflectance image data achieved similar accuracy.

Influence of Kernel Age on Fumonisin B1 Production in Maize by Fusarium moniliforme

PubMed Central

Warfield, Colleen Y.; Gilchrist, David G.

1999-01-01

Production of fumonisins by Fusarium moniliforme on naturally infected maize ears is an important food safety concern due to the toxic nature of this class of mycotoxins. Assessing the potential risk of fumonisin production in developing maize ears prior to harvest requires an understanding of the regulation of toxin biosynthesis during kernel maturation. We investigated the developmental-stage-dependent relationship between maize kernels and fumonisin B1 production by using kernels collected at the blister (R2), milk (R3), dough (R4), and dent (R5) stages following inoculation in culture at their respective field moisture contents with F. moniliforme. Highly significant differences (P ≤ 0.001) in fumonisin B1 production were found among kernels at the different developmental stages. The highest levels of fumonisin B1 were produced on the dent stage kernels, and the lowest levels were produced on the blister stage kernels. The differences in fumonisin B1 production among kernels at the different developmental stages remained significant (P ≤ 0.001) when the moisture contents of the kernels were adjusted to the same level prior to inoculation. We concluded that toxin production is affected by substrate composition as well as by moisture content. Our study also demonstrated that fumonisin B1 biosynthesis on maize kernels is influenced by factors which vary with the developmental age of the tissue. The risk of fumonisin contamination may begin early in maize ear development and increases as the kernels reach physiological maturity. PMID:10388675

Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory

NASA Astrophysics Data System (ADS)

Gould, Tim; Kronik, Leeor; Pittalis, Stefano

2018-05-01

By studying the lowest excitations of an exactly solvable one-dimensional soft-Coulomb molecular model, we show that components of Kohn-Sham ensembles can be used to describe charge transfer processes. Furthermore, we compute the approximate excitation energies obtained by using the exact ensemble densities in the recently formulated ensemble Hartree-exchange theory [T. Gould and S. Pittalis, Phys. Rev. Lett. 119, 243001 (2017)]. Remarkably, our results show that triplet excitations are accurately reproduced across a dissociation curve in all cases tested, even in systems where ground state energies are poor due to strong static correlations. Singlet excitations exhibit larger deviations from exact results but are still reproduced semi-quantitatively.

Black Box Real-Time Transient Absorption Spectroscopy and Electron Correlation

NASA Astrophysics Data System (ADS)

Parkhill, John

2017-06-01

We introduce an atomistic, all-electron, black-box electronic structure code to simulate transient absorption (TA) spectra and apply it to simulate pyrazole and a GFP- chromophore derivative1. The method is an application of OSCF2, our dissipative exten- sion of time-dependent density-functional theory. We compare our simulated spectra directly with recent ultra-fast spectroscopic experiments. We identify features in the TA spectra to Pauli-blocking which may be missed without a first-principles model. An important ingredient in this method is the stationary-TDDFT correction scheme recently put forwards by Fischer, Govind, and Cramer which allows us to overcome a limitation of adiabatic TDDFT. We demonstrate that OSCF2 is able to reproduce the energies of bleaches and induced absorptions, as well as the decay of the transient spectrum, with only the molecular structure as input. We show that the treatment of electron correlation is the biggest hurdle for TA simulations, which motivates the second half of the talk a new method for realtime electron correlation. We continue to derive and propagate self-consistent electronic dynamics. Extending our derivation of OSCF2 to include electron correlation we obtain a non-linear correlated one-body equation of motion which corrects TDHF. Similar equations are known in quantum kinetic theory, but rare in electronic structure. We introduce approximations that stabilize the theory and reduce its computational cost. We compare the resulting dynamics with well-known exact and approximate theories showing improvements over TDHF. When propagated EE2 changes occupation numbers like exact theory, an important feature missing from TDHF or TDDFT. We introduce a rotating wave approximation to reduce the scaling of the model to O(N^4), and enable propagation on realistically large systems. The equation-of-motion does not rely on a pure-state model for the electronic state, and could be used to study the relationship between electron correlation and relaxation/dephasing or as a non-adiabatic kernel for TDDFT. We show that a quasi-thermal Fermi-Dirac population of one-particle states is a stationary state of the method reached as the endpoint of propagation in some limits. We discuss this 'thermalization' of an isolated quantum many-body system in the context of the eigenstate thermalization hypothesis.

Left ventricle segmentation via graph cut distribution matching.

PubMed

Ben Ayed, Ismail; Punithakumar, Kumaradevan; Li, Shuo; Islam, Ali; Chong, Jaron

2009-01-01

We present a discrete kernel density matching energy for segmenting the left ventricle cavity in cardiac magnetic resonance sequences. The energy and its graph cut optimization based on an original first-order approximation of the Bhattacharyya measure have not been proposed previously, and yield competitive results in nearly real-time. The algorithm seeks a region within each frame by optimization of two priors, one geometric (distance-based) and the other photometric, each measuring a distribution similarity between the region and a model learned from the first frame. Based on global rather than pixelwise information, the proposed algorithm does not require complex training and optimization with respect to geometric transformations. Unlike related active contour methods, it does not compute iterative updates of computationally expensive kernel densities. Furthermore, the proposed first-order analysis can be used for other intractable energies and, therefore, can lead to segmentation algorithms which share the flexibility of active contours and computational advantages of graph cuts. Quantitative evaluations over 2280 images acquired from 20 subjects demonstrated that the results correlate well with independent manual segmentations by an expert.

Full Wave Parallel Code for Modeling RF Fields in Hot Plasmas

NASA Astrophysics Data System (ADS)

Spencer, Joseph; Svidzinski, Vladimir; Evstatiev, Evstati; Galkin, Sergei; Kim, Jin-Soo

2015-11-01

FAR-TECH, Inc. is developing a suite of full wave RF codes in hot plasmas. It is based on a formulation in configuration space with grid adaptation capability. The conductivity kernel (which includes a nonlocal dielectric response) is calculated by integrating the linearized Vlasov equation along unperturbed test particle orbits. For Tokamak applications a 2-D version of the code is being developed. Progress of this work will be reported. This suite of codes has the following advantages over existing spectral codes: 1) It utilizes the localized nature of plasma dielectric response to the RF field and calculates this response numerically without approximations. 2) It uses an adaptive grid to better resolve resonances in plasma and antenna structures. 3) It uses an efficient sparse matrix solver to solve the formulated linear equations. The linear wave equation is formulated using two approaches: for cold plasmas the local cold plasma dielectric tensor is used (resolving resonances by particle collisions), while for hot plasmas the conductivity kernel is calculated. Work is supported by the U.S. DOE SBIR program.

[Spatial analysis of road traffic accidents with fatalities in Spain, 2008-2011].

PubMed

Gómez-Barroso, Diana; López-Cuadrado, Teresa; Llácer, Alicia; Palmera Suárez, Rocío; Fernández-Cuenca, Rafael

2015-09-01

To estimate the areas of greatest density of road traffic accidents with fatalities at 24 hours per km(2)/year in Spain from 2008 to 2011, using a geographic information system. Accidents were geocodified using the road and kilometer points where they occurred. The average nearest neighbor was calculated to detect possible clusters and to obtain the bandwidth for kernel density estimation. A total of 4775 accidents were analyzed, of which 73.3% occurred on conventional roads. The estimated average distance between accidents was 1,242 meters, and the average expected distance was 10,738 meters. The nearest neighbor index was 0.11, indicating that there were aggregations of accidents in space. A map showing the kernel density was obtained with a resolution of 1 km(2), which identified the areas of highest density. This methodology allowed a better approximation to locating accident risks by taking into account kilometer points. The map shows areas where there was a greater density of accidents. This could be an advantage in decision-making by the relevant authorities. Copyright © 2014 SESPAS. Published by Elsevier Espana. All rights reserved.

Effective Visual Tracking Using Multi-Block and Scale Space Based on Kernelized Correlation Filters

PubMed Central

Jeong, Soowoong; Kim, Guisik; Lee, Sangkeun

2017-01-01

Accurate scale estimation and occlusion handling is a challenging problem in visual tracking. Recently, correlation filter-based trackers have shown impressive results in terms of accuracy, robustness, and speed. However, the model is not robust to scale variation and occlusion. In this paper, we address the problems associated with scale variation and occlusion by employing a scale space filter and multi-block scheme based on a kernelized correlation filter (KCF) tracker. Furthermore, we develop a more robust algorithm using an appearance update model that approximates the change of state of occlusion and deformation. In particular, an adaptive update scheme is presented to make each process robust. The experimental results demonstrate that the proposed method outperformed 29 state-of-the-art trackers on 100 challenging sequences. Specifically, the results obtained with the proposed scheme were improved by 8% and 18% compared to those of the KCF tracker for 49 occlusion and 64 scale variation sequences, respectively. Therefore, the proposed tracker can be a robust and useful tool for object tracking when occlusion and scale variation are involved. PMID:28241475

Effective Visual Tracking Using Multi-Block and Scale Space Based on Kernelized Correlation Filters.

PubMed

Jeong, Soowoong; Kim, Guisik; Lee, Sangkeun

2017-02-23

Accurate scale estimation and occlusion handling is a challenging problem in visual tracking. Recently, correlation filter-based trackers have shown impressive results in terms of accuracy, robustness, and speed. However, the model is not robust to scale variation and occlusion. In this paper, we address the problems associated with scale variation and occlusion by employing a scale space filter and multi-block scheme based on a kernelized correlation filter (KCF) tracker. Furthermore, we develop a more robust algorithm using an appearance update model that approximates the change of state of occlusion and deformation. In particular, an adaptive update scheme is presented to make each process robust. The experimental results demonstrate that the proposed method outperformed 29 state-of-the-art trackers on 100 challenging sequences. Specifically, the results obtained with the proposed scheme were improved by 8% and 18% compared to those of the KCF tracker for 49 occlusion and 64 scale variation sequences, respectively. Therefore, the proposed tracker can be a robust and useful tool for object tracking when occlusion and scale variation are involved.

Fast pyrolysis of palm kernel shells: influence of operation parameters on the bio-oil yield and the yield of phenol and phenolic compounds.

PubMed

Kim, Seon-Jin; Jung, Su-Hwa; Kim, Joo-Sik

2010-12-01

Palm kernel shells were pyrolyzed in a pyrolysis plant equipped with a fluidized-bed reactor and a char-separation system. The influence of reaction temperature, feed size and feed rate on the product spectrum was also investigated. In addition, the effect of reaction temperature on the yields of phenol and phenolic compounds in the bio-oil was examined. The maximum bio-oil yield was 48.7 wt.% of the product at 490 degrees C. The maximum yield of phenol plus phenolic compounds amounted to about 70 area percentage at 475 degrees C. The yield of pyrolytic lignin after its isolation from the bio-oil was approximately 46 wt.% based on the water and ash free oil. The pyrolytic lignin was mainly composed of phenol, phenolic compounds and oligomers of coniferyl, sinapyl and p-coumaryl alcohols. From the result of a GPC analysis, the number average molecular weight and the weight average molecular weight were 325 and 463 g/mol, respectively. 2010 Elsevier Ltd. All rights reserved.

Kernel Method Based Human Model for Enhancing Interactive Evolutionary Optimization

PubMed Central

Zhao, Qiangfu; Liu, Yong

2015-01-01

A fitness landscape presents the relationship between individual and its reproductive success in evolutionary computation (EC). However, discrete and approximate landscape in an original search space may not support enough and accurate information for EC search, especially in interactive EC (IEC). The fitness landscape of human subjective evaluation in IEC is very difficult and impossible to model, even with a hypothesis of what its definition might be. In this paper, we propose a method to establish a human model in projected high dimensional search space by kernel classification for enhancing IEC search. Because bivalent logic is a simplest perceptual paradigm, the human model is established by considering this paradigm principle. In feature space, we design a linear classifier as a human model to obtain user preference knowledge, which cannot be supported linearly in original discrete search space. The human model is established by this method for predicting potential perceptual knowledge of human. With the human model, we design an evolution control method to enhance IEC search. From experimental evaluation results with a pseudo-IEC user, our proposed model and method can enhance IEC search significantly. PMID:25879050

GRAYSKY-A new gamma-ray skyshine code

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

Witts, D.J.; Twardowski, T.; Watmough, M.H.

1993-01-01

This paper describes a new prototype gamma-ray skyshine code GRAYSKY (Gamma-RAY SKYshine) that has been developed at BNFL, as part of an industrially based master of science course, to overcome the problems encountered with SKYSHINEII and RANKERN. GRAYSKY is a point kernel code based on the use of a skyshine response function. The scattering within source or shield materials is accounted for by the use of buildup factors. This is an approximate method of solution but one that has been shown to produce results that are acceptable for dose rate predictions on operating plants. The novel features of GRAYSKY aremore » as follows: 1. The code is fully integrated with a semianalytical point kernel shielding code, currently under development at BNFL, which offers powerful solid-body modeling capabilities. 2. The geometry modeling also allows the skyshine response function to be used in a manner that accounts for the shielding of air-scattered radiation. 3. Skyshine buildup factors calculated using the skyshine response function have been used as well as dose buildup factors.« less

Differential evolution algorithm-based kernel parameter selection for Fukunaga-Koontz Transform subspaces construction

NASA Astrophysics Data System (ADS)

Binol, Hamidullah; Bal, Abdullah; Cukur, Huseyin

2015-10-01

The performance of the kernel based techniques depends on the selection of kernel parameters. That's why; suitable parameter selection is an important problem for many kernel based techniques. This article presents a novel technique to learn the kernel parameters in kernel Fukunaga-Koontz Transform based (KFKT) classifier. The proposed approach determines the appropriate values of kernel parameters through optimizing an objective function constructed based on discrimination ability of KFKT. For this purpose we have utilized differential evolution algorithm (DEA). The new technique overcomes some disadvantages such as high time consumption existing in the traditional cross-validation method, and it can be utilized in any type of data. The experiments for target detection applications on the hyperspectral images verify the effectiveness of the proposed method.

Design of a multiple kernel learning algorithm for LS-SVM by convex programming.

PubMed

Jian, Ling; Xia, Zhonghang; Liang, Xijun; Gao, Chuanhou

2011-06-01

As a kernel based method, the performance of least squares support vector machine (LS-SVM) depends on the selection of the kernel as well as the regularization parameter (Duan, Keerthi, & Poo, 2003). Cross-validation is efficient in selecting a single kernel and the regularization parameter; however, it suffers from heavy computational cost and is not flexible to deal with multiple kernels. In this paper, we address the issue of multiple kernel learning for LS-SVM by formulating it as semidefinite programming (SDP). Furthermore, we show that the regularization parameter can be optimized in a unified framework with the kernel, which leads to an automatic process for model selection. Extensive experimental validations are performed and analyzed. Copyright © 2011 Elsevier Ltd. All rights reserved.

Novel near-infrared sampling apparatus for single kernel analysis of oil content in maize.

PubMed

Janni, James; Weinstock, B André; Hagen, Lisa; Wright, Steve

2008-04-01

A method of rapid, nondestructive chemical and physical analysis of individual maize (Zea mays L.) kernels is needed for the development of high value food, feed, and fuel traits. Near-infrared (NIR) spectroscopy offers a robust nondestructive method of trait determination. However, traditional NIR bulk sampling techniques cannot be applied successfully to individual kernels. Obtaining optimized single kernel NIR spectra for applied chemometric predictive analysis requires a novel sampling technique that can account for the heterogeneous forms, morphologies, and opacities exhibited in individual maize kernels. In this study such a novel technique is described and compared to less effective means of single kernel NIR analysis. Results of the application of a partial least squares (PLS) derived model for predictive determination of percent oil content per individual kernel are shown.

Multiple Kernel Sparse Representation based Orthogonal Discriminative Projection and Its Cost-Sensitive Extension.

PubMed

Zhang, Guoqing; Sun, Huaijiang; Xia, Guiyu; Sun, Quansen

2016-07-07

Sparse representation based classification (SRC) has been developed and shown great potential for real-world application. Based on SRC, Yang et al. [10] devised a SRC steered discriminative projection (SRC-DP) method. However, as a linear algorithm, SRC-DP cannot handle the data with highly nonlinear distribution. Kernel sparse representation-based classifier (KSRC) is a non-linear extension of SRC and can remedy the drawback of SRC. KSRC requires the use of a predetermined kernel function and selection of the kernel function and its parameters is difficult. Recently, multiple kernel learning for SRC (MKL-SRC) [22] has been proposed to learn a kernel from a set of base kernels. However, MKL-SRC only considers the within-class reconstruction residual while ignoring the between-class relationship, when learning the kernel weights. In this paper, we propose a novel multiple kernel sparse representation-based classifier (MKSRC), and then we use it as a criterion to design a multiple kernel sparse representation based orthogonal discriminative projection method (MK-SR-ODP). The proposed algorithm aims at learning a projection matrix and a corresponding kernel from the given base kernels such that in the low dimension subspace the between-class reconstruction residual is maximized and the within-class reconstruction residual is minimized. Furthermore, to achieve a minimum overall loss by performing recognition in the learned low-dimensional subspace, we introduce cost information into the dimensionality reduction method. The solutions for the proposed method can be efficiently found based on trace ratio optimization method [33]. Extensive experimental results demonstrate the superiority of the proposed algorithm when compared with the state-of-the-art methods.

Improving prediction of heterodimeric protein complexes using combination with pairwise kernel.

PubMed

Ruan, Peiying; Hayashida, Morihiro; Akutsu, Tatsuya; Vert, Jean-Philippe

2018-02-19

Since many proteins become functional only after they interact with their partner proteins and form protein complexes, it is essential to identify the sets of proteins that form complexes. Therefore, several computational methods have been proposed to predict complexes from the topology and structure of experimental protein-protein interaction (PPI) network. These methods work well to predict complexes involving at least three proteins, but generally fail at identifying complexes involving only two different proteins, called heterodimeric complexes or heterodimers. There is however an urgent need for efficient methods to predict heterodimers, since the majority of known protein complexes are precisely heterodimers. In this paper, we use three promising kernel functions, Min kernel and two pairwise kernels, which are Metric Learning Pairwise Kernel (MLPK) and Tensor Product Pairwise Kernel (TPPK). We also consider the normalization forms of Min kernel. Then, we combine Min kernel or its normalization form and one of the pairwise kernels by plugging. We applied kernels based on PPI, domain, phylogenetic profile, and subcellular localization properties to predicting heterodimers. Then, we evaluate our method by employing C-Support Vector Classification (C-SVC), carrying out 10-fold cross-validation, and calculating the average F-measures. The results suggest that the combination of normalized-Min-kernel and MLPK leads to the best F-measure and improved the performance of our previous work, which had been the best existing method so far. We propose new methods to predict heterodimers, using a machine learning-based approach. We train a support vector machine (SVM) to discriminate interacting vs non-interacting protein pairs, based on informations extracted from PPI, domain, phylogenetic profiles and subcellular localization. We evaluate in detail new kernel functions to encode these data, and report prediction performance that outperforms the state-of-the-art.

Mapping QTLs controlling kernel dimensions in a wheat inter-varietal RIL mapping population.

PubMed

Cheng, Ruiru; Kong, Zhongxin; Zhang, Liwei; Xie, Quan; Jia, Haiyan; Yu, Dong; Huang, Yulong; Ma, Zhengqiang

2017-07-01

Seven kernel dimension QTLs were identified in wheat, and kernel thickness was found to be the most important dimension for grain weight improvement. Kernel morphology and weight of wheat (Triticum aestivum L.) affect both yield and quality; however, the genetic basis of these traits and their interactions has not been fully understood. In this study, to investigate the genetic factors affecting kernel morphology and the association of kernel morphology traits with kernel weight, kernel length (KL), width (KW) and thickness (KT) were evaluated, together with hundred-grain weight (HGW), in a recombinant inbred line population derived from Nanda2419 × Wangshuibai, with data from five trials (two different locations over 3 years). The results showed that HGW was more closely correlated with KT and KW than with KL. A whole genome scan revealed four QTLs for KL, one for KW and two for KT, distributed on five different chromosomes. Of them, QKl.nau-2D for KL, and QKt.nau-4B and QKt.nau-5A for KT were newly identified major QTLs for the respective traits, explaining up to 32.6 and 41.5% of the phenotypic variations, respectively. Increase of KW and KT and reduction of KL/KT and KW/KT ratios always resulted in significant higher grain weight. Lines combining the Nanda 2419 alleles of the 4B and 5A intervals had wider, thicker, rounder kernels and a 14% higher grain weight in the genotype-based analysis. A strong, negative linear relationship of the KW/KT ratio with grain weight was observed. It thus appears that kernel thickness is the most important kernel dimension factor in wheat improvement for higher yield. Mapping and marker identification of the kernel dimension-related QTLs definitely help realize the breeding goals.

Kernel learning at the first level of inference.

PubMed

Cawley, Gavin C; Talbot, Nicola L C

2014-05-01

Kernel learning methods, whether Bayesian or frequentist, typically involve multiple levels of inference, with the coefficients of the kernel expansion being determined at the first level and the kernel and regularisation parameters carefully tuned at the second level, a process known as model selection. Model selection for kernel machines is commonly performed via optimisation of a suitable model selection criterion, often based on cross-validation or theoretical performance bounds. However, if there are a large number of kernel parameters, as for instance in the case of automatic relevance determination (ARD), there is a substantial risk of over-fitting the model selection criterion, resulting in poor generalisation performance. In this paper we investigate the possibility of learning the kernel, for the Least-Squares Support Vector Machine (LS-SVM) classifier, at the first level of inference, i.e. parameter optimisation. The kernel parameters and the coefficients of the kernel expansion are jointly optimised at the first level of inference, minimising a training criterion with an additional regularisation term acting on the kernel parameters. The key advantage of this approach is that the values of only two regularisation parameters need be determined in model selection, substantially alleviating the problem of over-fitting the model selection criterion. The benefits of this approach are demonstrated using a suite of synthetic and real-world binary classification benchmark problems, where kernel learning at the first level of inference is shown to be statistically superior to the conventional approach, improves on our previous work (Cawley and Talbot, 2007) and is competitive with Multiple Kernel Learning approaches, but with reduced computational expense. Copyright © 2014 Elsevier Ltd. All rights reserved.

Adaptive kernel function using line transect sampling

NASA Astrophysics Data System (ADS)

Albadareen, Baker; Ismail, Noriszura

2018-04-01

The estimation of f(0) is crucial in the line transect method which is used for estimating population abundance in wildlife survey's. The classical kernel estimator of f(0) has a high negative bias. Our study proposes an adaptation in the kernel function which is shown to be more efficient than the usual kernel estimator. A simulation study is adopted to compare the performance of the proposed estimators with the classical kernel estimators.

Boundary Control of Linear Uncertain 1-D Parabolic PDE Using Approximate Dynamic Programming.

PubMed

Talaei, Behzad; Jagannathan, Sarangapani; Singler, John

2018-04-01

This paper develops a near optimal boundary control method for distributed parameter systems governed by uncertain linear 1-D parabolic partial differential equations (PDE) by using approximate dynamic programming. A quadratic surface integral is proposed to express the optimal cost functional for the infinite-dimensional state space. Accordingly, the Hamilton-Jacobi-Bellman (HJB) equation is formulated in the infinite-dimensional domain without using any model reduction. Subsequently, a neural network identifier is developed to estimate the unknown spatially varying coefficient in PDE dynamics. Novel tuning law is proposed to guarantee the boundedness of identifier approximation error in the PDE domain. A radial basis network (RBN) is subsequently proposed to generate an approximate solution for the optimal surface kernel function online. The tuning law for near optimal RBN weights is created, such that the HJB equation error is minimized while the dynamics are identified and closed-loop system remains stable. Ultimate boundedness (UB) of the closed-loop system is verified by using the Lyapunov theory. The performance of the proposed controller is successfully confirmed by simulation on an unstable diffusion-reaction process.

Pollen source effects on growth of kernel structures and embryo chemical compounds in maize.

PubMed

Tanaka, W; Mantese, A I; Maddonni, G A

2009-08-01

Previous studies have reported effects of pollen source on the oil concentration of maize (Zea mays) kernels through modifications to both the embryo/kernel ratio and embryo oil concentration. The present study expands upon previous analyses by addressing pollen source effects on the growth of kernel structures (i.e. pericarp, endosperm and embryo), allocation of embryo chemical constituents (i.e. oil, protein, starch and soluble sugars), and the anatomy and histology of the embryos. Maize kernels with different oil concentration were obtained from pollinations with two parental genotypes of contrasting oil concentration. The dynamics of the growth of kernel structures and allocation of embryo chemical constituents were analysed during the post-flowering period. Mature kernels were dissected to study the anatomy (embryonic axis and scutellum) and histology [cell number and cell size of the scutellums, presence of sub-cellular structures in scutellum tissue (starch granules, oil and protein bodies)] of the embryos. Plants of all crosses exhibited a similar kernel number and kernel weight. Pollen source modified neither the growth period of kernel structures, nor pericarp growth rate. By contrast, pollen source determined a trade-off between embryo and endosperm growth rates, which impacted on the embryo/kernel ratio of mature kernels. Modifications to the embryo size were mediated by scutellum cell number. Pollen source also affected (P < 0.01) allocation of embryo chemical compounds. Negative correlations among embryo oil concentration and those of starch (r = 0.98, P < 0.01) and soluble sugars (r = 0.95, P < 0.05) were found. Coincidently, embryos with low oil concentration had an increased (P < 0.05-0.10) scutellum cell area occupied by starch granules and fewer oil bodies. The effects of pollen source on both embryo/kernel ratio and allocation of embryo chemicals seems to be related to the early established sink strength (i.e. sink size and sink activity) of the embryos.

7 CFR 868.254 - Broken kernels determination.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 7 2010-01-01 2010-01-01 false Broken kernels determination. 868.254 Section 868.254 Agriculture Regulations of the Department of Agriculture (Continued) GRAIN INSPECTION, PACKERS AND STOCKYARD... Governing Application of Standards § 868.254 Broken kernels determination. Broken kernels shall be...

7 CFR 51.2090 - Serious damage.

Code of Federal Regulations, 2010 CFR

2010-01-01

... defect which makes a kernel or piece of kernel unsuitable for human consumption, and includes decay...: Shriveling when the kernel is seriously withered, shrunken, leathery, tough or only partially developed: Provided, that partially developed kernels are not considered seriously damaged if more than one-fourth of...

Anisotropic hydrodynamics with a scalar collisional kernel

NASA Astrophysics Data System (ADS)

Almaalol, Dekrayat; Strickland, Michael

2018-04-01

Prior studies of nonequilibrium dynamics using anisotropic hydrodynamics have used the relativistic Anderson-Witting scattering kernel or some variant thereof. In this paper, we make the first study of the impact of using a more realistic scattering kernel. For this purpose, we consider a conformal system undergoing transversally homogenous and boost-invariant Bjorken expansion and take the collisional kernel to be given by the leading order 2 ↔2 scattering kernel in scalar λ ϕ4 . We consider both classical and quantum statistics to assess the impact of Bose enhancement on the dynamics. We also determine the anisotropic nonequilibrium attractor of a system subject to this collisional kernel. We find that, when the near-equilibrium relaxation-times in the Anderson-Witting and scalar collisional kernels are matched, the scalar kernel results in a higher degree of momentum-space anisotropy during the system's evolution, given the same initial conditions. Additionally, we find that taking into account Bose enhancement further increases the dynamically generated momentum-space anisotropy.

Ideal regularization for learning kernels from labels.

PubMed

Pan, Binbin; Lai, Jianhuang; Shen, Lixin

2014-08-01

In this paper, we propose a new form of regularization that is able to utilize the label information of a data set for learning kernels. The proposed regularization, referred to as ideal regularization, is a linear function of the kernel matrix to be learned. The ideal regularization allows us to develop efficient algorithms to exploit labels. Three applications of the ideal regularization are considered. Firstly, we use the ideal regularization to incorporate the labels into a standard kernel, making the resulting kernel more appropriate for learning tasks. Next, we employ the ideal regularization to learn a data-dependent kernel matrix from an initial kernel matrix (which contains prior similarity information, geometric structures, and labels of the data). Finally, we incorporate the ideal regularization to some state-of-the-art kernel learning problems. With this regularization, these learning problems can be formulated as simpler ones which permit more efficient solvers. Empirical results show that the ideal regularization exploits the labels effectively and efficiently. Copyright © 2014 Elsevier Ltd. All rights reserved.

Straight-chain halocarbon forming fluids for TRISO fuel kernel production - Tests with yttria-stabilized zirconia microspheres

NASA Astrophysics Data System (ADS)

Baker, M. P.; King, J. C.; Gorman, B. P.; Braley, J. C.

2015-03-01

Current methods of TRISO fuel kernel production in the United States use a sol-gel process with trichloroethylene (TCE) as the forming fluid. After contact with radioactive materials, the spent TCE becomes a mixed hazardous waste, and high costs are associated with its recycling or disposal. Reducing or eliminating this mixed waste stream would not only benefit the environment, but would also enhance the economics of kernel production. Previous research yielded three candidates for testing as alternatives to TCE: 1-bromotetradecane, 1-chlorooctadecane, and 1-iodododecane. This study considers the production of yttria-stabilized zirconia (YSZ) kernels in silicone oil and the three chosen alternative formation fluids, with subsequent characterization of the produced kernels and used forming fluid. Kernels formed in silicone oil and bromotetradecane were comparable to those produced by previous kernel production efforts, while those produced in chlorooctadecane and iodododecane experienced gelation issues leading to poor kernel formation and geometry.

The site, size, spatial stability, and energetics of an X-ray flare kernel

NASA Technical Reports Server (NTRS)

Petrasso, R.; Gerassimenko, M.; Nolte, J.

1979-01-01

The site, size evolution, and energetics of an X-ray kernel that dominated a solar flare during its rise and somewhat during its peak are investigated. The position of the kernel remained stationary to within about 3 arc sec over the 30-min interval of observations, despite pulsations in the kernel X-ray brightness in excess of a factor of 10. This suggests a tightly bound, deeply rooted magnetic structure, more plausibly associated with the near chromosphere or low corona rather than with the high corona. The H-alpha flare onset coincided with the appearance of the kernel, again suggesting a close spatial and temporal coupling between the chromospheric H-alpha event and the X-ray kernel. At the first kernel brightness peak its size was no larger than about 2 arc sec, when it accounted for about 40% of the total flare flux. In the second rise phase of the kernel, a source power input of order 2 times 10 to the 24th ergs/sec is minimally required.

Material Data Representation of Hysteresis Loops for Hastelloy X Using Artificial Neural Networks

NASA Technical Reports Server (NTRS)

Alam, Javed; Berke, Laszlo; Murthy, Pappu L. N.

1993-01-01

The artificial neural network (ANN) model proposed by Rumelhart, Hinton, and Williams is applied to develop a functional approximation of material data in the form of hysteresis loops from a nickel-base superalloy, Hastelloy X. Several different ANN configurations are used to model hysteresis loops at different cycles for this alloy. The ANN models were successful in reproducing the hysteresis loops used for its training. However, because of sharp bends at the two ends of hysteresis loops, a drift occurs at the corners of the loops where loading changes to unloading and vice versa (the sharp bends occurred when the stress-strain curves were reproduced by adding stress increments to the preceding values of the stresses). Therefore, it is possible only to reproduce half of the loading path. The generalization capability of the network was tested by using additional data for two other hysteresis loops at different cycles. The results were in good agreement. Also, the use of ANN led to a data compression ratio of approximately 22:1.

Polarizable atomistic calculation of site energy disorder in amorphous Alq3.

PubMed

Nagata, Yuki

2010-02-01

A polarizable molecular dynamics simulation and calculation scheme for site energy disorder is presented in amorphous tris(8-hydroxyquinolinato)aluminum (Alq(3)) by means of the charge response kernel (CRK) method. The CRK fit to the electrostatic potential and the tight-binding approximation are introduced, which enables modeling of the polarizable electrostatic interaction for a large molecule systematically from an ab initio calculation. The site energy disorder for electron and hole transfers is calculated in amorphous Alq(3) and the effect of the polarization on the site energy disorder is discussed.

Numerical evaluation of electromagnetic fields due to dipole antennas in the presence of stratified media

NASA Technical Reports Server (NTRS)

Tsang, L.; Brown, R.; Kong, J. A.; Simmons, G.

1974-01-01

Two numerical methods are used to evaluate the integrals that express the em fields due to dipole antennas radiating in the presence of a stratified medium. The first method is a direct integration by means of Simpson's rule. The second method is indirect and approximates the kernel of the integral by means of the fast Fourier transform. In contrast to previous analytical methods that applied only to two-layer cases the numerical methods can be used for any arbitrary number of layers with general properties.

Stochastic dynamic modeling of regular and slow earthquakes

NASA Astrophysics Data System (ADS)

Aso, N.; Ando, R.; Ide, S.

2017-12-01

Both regular and slow earthquakes are slip phenomena on plate boundaries and are simulated by a (quasi-)dynamic modeling [Liu and Rice, 2005]. In these numerical simulations, spatial heterogeneity is usually considered not only for explaining real physical properties but also for evaluating the stability of the calculations or the sensitivity of the results on the condition. However, even though we discretize the model space with small grids, heterogeneity at smaller scales than the grid size is not considered in the models with deterministic governing equations. To evaluate the effect of heterogeneity at the smaller scales we need to consider stochastic interactions between slip and stress in a dynamic modeling. Tidal stress is known to trigger or affect both regular and slow earthquakes [Yabe et al., 2015; Ide et al., 2016], and such an external force with fluctuation can also be considered as a stochastic external force. A healing process of faults may also be stochastic, so we introduce stochastic friction law. In the present study, we propose a stochastic dynamic model to explain both regular and slow earthquakes. We solve mode III problem, which corresponds to the rupture propagation along the strike direction. We use BIEM (boundary integral equation method) scheme to simulate slip evolution, but we add stochastic perturbations in the governing equations, which is usually written in a deterministic manner. As the simplest type of perturbations, we adopt Gaussian deviations in the formulation of the slip-stress kernel, external force, and friction. By increasing the amplitude of perturbations of the slip-stress kernel, we reproduce complicated rupture process of regular earthquakes including unilateral and bilateral ruptures. By perturbing external force, we reproduce slow rupture propagation at a scale of km/day. The slow propagation generated by a combination of fast interaction at S-wave velocity is analogous to the kinetic theory of gasses: thermal diffusion appears much slower than the particle velocity of each molecule. The concept of stochastic triggering originates in the Brownian walk model [Ide, 2008], and the present study introduces the stochastic dynamics into dynamic simulations. The stochastic dynamic model has the potential to explain both regular and slow earthquakes more realistically.

The pre-image problem in kernel methods.

PubMed

Kwok, James Tin-yau; Tsang, Ivor Wai-hung

2004-11-01

In this paper, we address the problem of finding the pre-image of a feature vector in the feature space induced by a kernel. This is of central importance in some kernel applications, such as on using kernel principal component analysis (PCA) for image denoising. Unlike the traditional method which relies on nonlinear optimization, our proposed method directly finds the location of the pre-image based on distance constraints in the feature space. It is noniterative, involves only linear algebra and does not suffer from numerical instability or local minimum problems. Evaluations on performing kernel PCA and kernel clustering on the USPS data set show much improved performance.

Effects of Amygdaline from Apricot Kernel on Transplanted Tumors in Mice.

PubMed

Yamshanov, V A; Kovan'ko, E G; Pustovalov, Yu I

2016-03-01

The effects of amygdaline from apricot kernel added to fodder on the growth of transplanted LYO-1 and Ehrlich carcinoma were studied in mice. Apricot kernels inhibited the growth of both tumors. Apricot kernels, raw and after thermal processing, given 2 days before transplantation produced a pronounced antitumor effect. Heat-processed apricot kernels given in 3 days after transplantation modified the tumor growth and prolonged animal lifespan. Thermal treatment did not considerably reduce the antitumor effect of apricot kernels. It was hypothesized that the antitumor effect of amygdaline on Ehrlich carcinoma and LYO-1 lymphosarcoma was associated with the presence of bacterial genome in the tumor.

Development of a kernel function for clinical data.

PubMed

Daemen, Anneleen; De Moor, Bart

2009-01-01

For most diseases and examinations, clinical data such as age, gender and medical history guides clinical management, despite the rise of high-throughput technologies. To fully exploit such clinical information, appropriate modeling of relevant parameters is required. As the widely used linear kernel function has several disadvantages when applied to clinical data, we propose a new kernel function specifically developed for this data. This "clinical kernel function" more accurately represents similarities between patients. Evidently, three data sets were studied and significantly better performances were obtained with a Least Squares Support Vector Machine when based on the clinical kernel function compared to the linear kernel function.

Manycore Performance-Portability: Kokkos Multidimensional Array Library

DOE PAGES

Edwards, H. Carter; Sunderland, Daniel; Porter, Vicki; ...

2012-01-01

Large, complex scientific and engineering application code have a significant investment in computational kernels to implement their mathematical models. Porting these computational kernels to the collection of modern manycore accelerator devices is a major challenge in that these devices have diverse programming models, application programming interfaces (APIs), and performance requirements. The Kokkos Array programming model provides library-based approach to implement computational kernels that are performance-portable to CPU-multicore and GPGPU accelerator devices. This programming model is based upon three fundamental concepts: (1) manycore compute devices each with its own memory space, (2) data parallel kernels and (3) multidimensional arrays. Kernel executionmore » performance is, especially for NVIDIA® devices, extremely dependent on data access patterns. Optimal data access pattern can be different for different manycore devices – potentially leading to different implementations of computational kernels specialized for different devices. The Kokkos Array programming model supports performance-portable kernels by (1) separating data access patterns from computational kernels through a multidimensional array API and (2) introduce device-specific data access mappings when a kernel is compiled. An implementation of Kokkos Array is available through Trilinos [Trilinos website, http://trilinos.sandia.gov/, August 2011].« less

Protein Subcellular Localization with Gaussian Kernel Discriminant Analysis and Its Kernel Parameter Selection.

PubMed

Wang, Shunfang; Nie, Bing; Yue, Kun; Fei, Yu; Li, Wenjia; Xu, Dongshu

2017-12-15

Kernel discriminant analysis (KDA) is a dimension reduction and classification algorithm based on nonlinear kernel trick, which can be novelly used to treat high-dimensional and complex biological data before undergoing classification processes such as protein subcellular localization. Kernel parameters make a great impact on the performance of the KDA model. Specifically, for KDA with the popular Gaussian kernel, to select the scale parameter is still a challenging problem. Thus, this paper introduces the KDA method and proposes a new method for Gaussian kernel parameter selection depending on the fact that the differences between reconstruction errors of edge normal samples and those of interior normal samples should be maximized for certain suitable kernel parameters. Experiments with various standard data sets of protein subcellular localization show that the overall accuracy of protein classification prediction with KDA is much higher than that without KDA. Meanwhile, the kernel parameter of KDA has a great impact on the efficiency, and the proposed method can produce an optimum parameter, which makes the new algorithm not only perform as effectively as the traditional ones, but also reduce the computational time and thus improve efficiency.

Impact of deep learning on the normalization of reconstruction kernel effects in imaging biomarker quantification: a pilot study in CT emphysema

NASA Astrophysics Data System (ADS)

Jin, Hyeongmin; Heo, Changyong; Kim, Jong Hyo

2018-02-01

Differing reconstruction kernels are known to strongly affect the variability of imaging biomarkers and thus remain as a barrier in translating the computer aided quantification techniques into clinical practice. This study presents a deep learning application to CT kernel conversion which converts a CT image of sharp kernel to that of standard kernel and evaluates its impact on variability reduction of a pulmonary imaging biomarker, the emphysema index (EI). Forty cases of low-dose chest CT exams obtained with 120kVp, 40mAs, 1mm thickness, of 2 reconstruction kernels (B30f, B50f) were selected from the low dose lung cancer screening database of our institution. A Fully convolutional network was implemented with Keras deep learning library. The model consisted of symmetric layers to capture the context and fine structure characteristics of CT images from the standard and sharp reconstruction kernels. Pairs of the full-resolution CT data set were fed to input and output nodes to train the convolutional network to learn the appropriate filter kernels for converting the CT images of sharp kernel to standard kernel with a criterion of measuring the mean squared error between the input and target images. EIs (RA950 and Perc15) were measured with a software package (ImagePrism Pulmo, Seoul, South Korea) and compared for the data sets of B50f, B30f, and the converted B50f. The effect of kernel conversion was evaluated with the mean and standard deviation of pair-wise differences in EI. The population mean of RA950 was 27.65 +/- 7.28% for B50f data set, 10.82 +/- 6.71% for the B30f data set, and 8.87 +/- 6.20% for the converted B50f data set. The mean of pair-wise absolute differences in RA950 between B30f and B50f is reduced from 16.83% to 1.95% using kernel conversion. Our study demonstrates the feasibility of applying the deep learning technique for CT kernel conversion and reducing the kernel-induced variability of EI quantification. The deep learning model has a potential to improve the reliability of imaging biomarker, especially in evaluating the longitudinal changes of EI even when the patient CT scans were performed with different kernels.

Metabolic network prediction through pairwise rational kernels.

PubMed

Roche-Lima, Abiel; Domaratzki, Michael; Fristensky, Brian

2014-09-26

Metabolic networks are represented by the set of metabolic pathways. Metabolic pathways are a series of biochemical reactions, in which the product (output) from one reaction serves as the substrate (input) to another reaction. Many pathways remain incompletely characterized. One of the major challenges of computational biology is to obtain better models of metabolic pathways. Existing models are dependent on the annotation of the genes. This propagates error accumulation when the pathways are predicted by incorrectly annotated genes. Pairwise classification methods are supervised learning methods used to classify new pair of entities. Some of these classification methods, e.g., Pairwise Support Vector Machines (SVMs), use pairwise kernels. Pairwise kernels describe similarity measures between two pairs of entities. Using pairwise kernels to handle sequence data requires long processing times and large storage. Rational kernels are kernels based on weighted finite-state transducers that represent similarity measures between sequences or automata. They have been effectively used in problems that handle large amount of sequence information such as protein essentiality, natural language processing and machine translations. We create a new family of pairwise kernels using weighted finite-state transducers (called Pairwise Rational Kernel (PRK)) to predict metabolic pathways from a variety of biological data. PRKs take advantage of the simpler representations and faster algorithms of transducers. Because raw sequence data can be used, the predictor model avoids the errors introduced by incorrect gene annotations. We then developed several experiments with PRKs and Pairwise SVM to validate our methods using the metabolic network of Saccharomyces cerevisiae. As a result, when PRKs are used, our method executes faster in comparison with other pairwise kernels. Also, when we use PRKs combined with other simple kernels that include evolutionary information, the accuracy values have been improved, while maintaining lower construction and execution times. The power of using kernels is that almost any sort of data can be represented using kernels. Therefore, completely disparate types of data can be combined to add power to kernel-based machine learning methods. When we compared our proposal using PRKs with other similar kernel, the execution times were decreased, with no compromise of accuracy. We also proved that by combining PRKs with other kernels that include evolutionary information, the accuracy can also also be improved. As our proposal can use any type of sequence data, genes do not need to be properly annotated, avoiding accumulation errors because of incorrect previous annotations.

Differential metabolome analysis of field-grown maize kernels in response to drought stress

USDA-ARS?s Scientific Manuscript database

Drought stress constrains maize kernel development and can exacerbate aflatoxin contamination. In order to identify drought responsive metabolites and explore pathways involved in kernel responses, a metabolomics analysis was conducted on kernels from a drought tolerant line, Lo964, and a sensitive ...

Occurrence of 'super soft' wheat kernel texture in hexaploid and tetraploid wheats

USDA-ARS?s Scientific Manuscript database

Wheat kernel texture is a key trait that governs milling performance, flour starch damage, flour particle size, flour hydration properties, and baking quality. Kernel texture is commonly measured using the Perten Single Kernel Characterization System (SKCS). The SKCS returns texture values (Hardness...

7 CFR 868.203 - Basis of determination.

Code of Federal Regulations, 2010 CFR

2010-01-01

... FOR CERTAIN AGRICULTURAL COMMODITIES United States Standards for Rough Rice Principles Governing..., heat-damaged kernels, red rice and damaged kernels, chalky kernels, other types, color, and the special grade Parboiled rough rice shall be on the basis of the whole and large broken kernels of milled rice...

7 CFR 868.203 - Basis of determination.

Code of Federal Regulations, 2011 CFR

2011-01-01

... FOR CERTAIN AGRICULTURAL COMMODITIES United States Standards for Rough Rice Principles Governing..., heat-damaged kernels, red rice and damaged kernels, chalky kernels, other types, color, and the special grade Parboiled rough rice shall be on the basis of the whole and large broken kernels of milled rice...

7 CFR 868.304 - Broken kernels determination.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 7 Agriculture 7 2011-01-01 2011-01-01 false Broken kernels determination. 868.304 Section 868.304 Agriculture Regulations of the Department of Agriculture (Continued) GRAIN INSPECTION, PACKERS AND STOCKYARD... Application of Standards § 868.304 Broken kernels determination. Broken kernels shall be determined by the use...

7 CFR 868.304 - Broken kernels determination.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 7 2010-01-01 2010-01-01 false Broken kernels determination. 868.304 Section 868.304 Agriculture Regulations of the Department of Agriculture (Continued) GRAIN INSPECTION, PACKERS AND STOCKYARD... Application of Standards § 868.304 Broken kernels determination. Broken kernels shall be determined by the use...

A Method for Generating Natural and User-Defined Sniffing Patterns in Anesthetized or Reduced Preparations

PubMed Central

Carey, Ryan M.; Wachowiak, Matt

2009-01-01

Sniffing has long been thought to play a critical role in shaping neural responses to odorants at multiple levels of the nervous system. However, it has been difficult to systematically examine how particular parameters of sniffing behavior shape odorant-evoked activity, in large part because of the complexity of sniffing behavior and the difficulty in reproducing this behavior in an anesthetized or reduced preparation. Here we present a method for generating naturalistic sniffing patterns in such preparations. The method involves a nasal ventilator whose movement is controlled by an analog command voltage. The command signal may consist of intranasal pressure transients recorded from awake rats and mice or user-defined waveforms. This “sniff playback” device generates intranasal pressure and airflow transients in anesthetized animals that approximate those recorded from the awake animal and are reproducible across trials and across preparations. The device accurately reproduces command waveforms over an amplitude range of approximately 1 log unit and up to frequencies of approximately 12 Hz. Further, odorant-evoked neural activity imaged during sniff playback appears similar to that seen in awake animals. This method should prove useful in investigating how the parameters of odorant sampling shape neural responses in a variety of experimental settings. PMID:18791186

Biasing anisotropic scattering kernels for deep-penetration Monte Carlo calculations

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

Carter, L.L.; Hendricks, J.S.

1983-01-01

The exponential transform is often used to improve the efficiency of deep-penetration Monte Carlo calculations. This technique is usually implemented by biasing the distance-to-collision kernel of the transport equation, but leaving the scattering kernel unchanged. Dwivedi obtained significant improvements in efficiency by biasing an isotropic scattering kernel as well as the distance-to-collision kernel. This idea is extended to anisotropic scattering, particularly the highly forward Klein-Nishina scattering of gamma rays.

Performance Characteristics of a Kernel-Space Packet Capture Module

DTIC Science & Technology

2010-03-01

Defense, or the United States Government . AFIT/GCO/ENG/10-03 PERFORMANCE CHARACTERISTICS OF A KERNEL-SPACE PACKET CAPTURE MODULE THESIS Presented to the...3.1.2.3 Prototype. The proof of concept for this research is the design, development, and comparative performance analysis of a kernel level N2d capture...changes to kernel code 5. Can be used for both user-space and kernel-space capture applications in order to control comparative performance analysis to

High-throughput method for ear phenotyping and kernel weight estimation in maize using ear digital imaging.

PubMed

Makanza, R; Zaman-Allah, M; Cairns, J E; Eyre, J; Burgueño, J; Pacheco, Ángela; Diepenbrock, C; Magorokosho, C; Tarekegne, A; Olsen, M; Prasanna, B M

2018-01-01

Grain yield, ear and kernel attributes can assist to understand the performance of maize plant under different environmental conditions and can be used in the variety development process to address farmer's preferences. These parameters are however still laborious and expensive to measure. A low-cost ear digital imaging method was developed that provides estimates of ear and kernel attributes i.e., ear number and size, kernel number and size as well as kernel weight from photos of ears harvested from field trial plots. The image processing method uses a script that runs in a batch mode on ImageJ; an open source software. Kernel weight was estimated using the total kernel number derived from the number of kernels visible on the image and the average kernel size. Data showed a good agreement in terms of accuracy and precision between ground truth measurements and data generated through image processing. Broad-sense heritability of the estimated parameters was in the range or higher than that for measured grain weight. Limitation of the method for kernel weight estimation is discussed. The method developed in this work provides an opportunity to significantly reduce the cost of selection in the breeding process, especially for resource constrained crop improvement programs and can be used to learn more about the genetic bases of grain yield determinants.

A Kernel-based Lagrangian method for imperfectly-mixed chemical reactions

NASA Astrophysics Data System (ADS)

Schmidt, Michael J.; Pankavich, Stephen; Benson, David A.

2017-05-01

Current Lagrangian (particle-tracking) algorithms used to simulate diffusion-reaction equations must employ a certain number of particles to properly emulate the system dynamics-particularly for imperfectly-mixed systems. The number of particles is tied to the statistics of the initial concentration fields of the system at hand. Systems with shorter-range correlation and/or smaller concentration variance require more particles, potentially limiting the computational feasibility of the method. For the well-known problem of bimolecular reaction, we show that using kernel-based, rather than Dirac delta, particles can significantly reduce the required number of particles. We derive the fixed width of a Gaussian kernel for a given reduced number of particles that analytically eliminates the error between kernel and Dirac solutions at any specified time. We also show how to solve for the fixed kernel size by minimizing the squared differences between solutions over any given time interval. Numerical results show that the width of the kernel should be kept below about 12% of the domain size, and that the analytic equations used to derive kernel width suffer significantly from the neglect of higher-order moments. The simulations with a kernel width given by least squares minimization perform better than those made to match at one specific time. A heuristic time-variable kernel size, based on the previous results, performs on par with the least squares fixed kernel size.

Optimized Kernel Entropy Components.

PubMed

Izquierdo-Verdiguier, Emma; Laparra, Valero; Jenssen, Robert; Gomez-Chova, Luis; Camps-Valls, Gustau

2017-06-01

This brief addresses two main issues of the standard kernel entropy component analysis (KECA) algorithm: the optimization of the kernel decomposition and the optimization of the Gaussian kernel parameter. KECA roughly reduces to a sorting of the importance of kernel eigenvectors by entropy instead of variance, as in the kernel principal components analysis. In this brief, we propose an extension of the KECA method, named optimized KECA (OKECA), that directly extracts the optimal features retaining most of the data entropy by means of compacting the information in very few features (often in just one or two). The proposed method produces features which have higher expressive power. In particular, it is based on the independent component analysis framework, and introduces an extra rotation to the eigen decomposition, which is optimized via gradient-ascent search. This maximum entropy preservation suggests that OKECA features are more efficient than KECA features for density estimation. In addition, a critical issue in both the methods is the selection of the kernel parameter, since it critically affects the resulting performance. Here, we analyze the most common kernel length-scale selection criteria. The results of both the methods are illustrated in different synthetic and real problems. Results show that OKECA returns projections with more expressive power than KECA, the most successful rule for estimating the kernel parameter is based on maximum likelihood, and OKECA is more robust to the selection of the length-scale parameter in kernel density estimation.

Sensitivity kernels for viscoelastic loading based on adjoint methods

NASA Astrophysics Data System (ADS)

Al-Attar, David; Tromp, Jeroen

2014-01-01

Observations of glacial isostatic adjustment (GIA) allow for inferences to be made about mantle viscosity, ice sheet history and other related parameters. Typically, this inverse problem can be formulated as minimizing the misfit between the given observations and a corresponding set of synthetic data. When the number of parameters is large, solution of such optimization problems can be computationally challenging. A practical, albeit non-ideal, solution is to use gradient-based optimization. Although the gradient of the misfit required in such methods could be calculated approximately using finite differences, the necessary computation time grows linearly with the number of model parameters, and so this is often infeasible. A far better approach is to apply the `adjoint method', which allows the exact gradient to be calculated from a single solution of the forward problem, along with one solution of the associated adjoint problem. As a first step towards applying the adjoint method to the GIA inverse problem, we consider its application to a simpler viscoelastic loading problem in which gravitationally self-consistent ocean loading is neglected. The earth model considered is non-rotating, self-gravitating, compressible, hydrostatically pre-stressed, laterally heterogeneous and possesses a Maxwell solid rheology. We determine adjoint equations and Fréchet kernels for this problem based on a Lagrange multiplier method. Given an objective functional J defined in terms of the surface deformation fields, we show that its first-order perturbation can be written δ J = int _{MS}K_{η }δ ln η dV +int _{t0}^{t1}int _{partial M}K_{dot{σ }} δ dot{σ } dS dt, where δ ln η = δη/η denotes relative viscosity variations in solid regions MS, dV is the volume element, δ dot{σ } is the perturbation to the time derivative of the surface load which is defined on the earth model's surface ∂M and for times [t0, t1] and dS is the surface element on ∂M. The `viscosity kernel' Kη determines the linearized sensitivity of J to viscosity perturbations defined with respect to a laterally heterogeneous reference earth model, while the `rate-of-loading kernel' K_{dot{σ }} determines the sensitivity to variations in the time derivative of the surface load. By restricting attention to spherically symmetric viscosity perturbations, we also obtain a `radial viscosity kernel' overline{K}_{η } such that the associated contribution to δJ can be written int _{IS}overline{K}_{η }δ ln η dr, where IS denotes the subset of radii lying in solid regions. In order to illustrate this theory, we describe its numerical implementation in the case of a spherically symmetric earth model using a 1-D spectral element method, and calculate sensitivity kernels for a range of realistic observables.

SEMI-SUPERVISED OBJECT RECOGNITION USING STRUCTURE KERNEL

PubMed Central

Wang, Botao; Xiong, Hongkai; Jiang, Xiaoqian; Ling, Fan

2013-01-01

Object recognition is a fundamental problem in computer vision. Part-based models offer a sparse, flexible representation of objects, but suffer from difficulties in training and often use standard kernels. In this paper, we propose a positive definite kernel called “structure kernel”, which measures the similarity of two part-based represented objects. The structure kernel has three terms: 1) the global term that measures the global visual similarity of two objects; 2) the part term that measures the visual similarity of corresponding parts; 3) the spatial term that measures the spatial similarity of geometric configuration of parts. The contribution of this paper is to generalize the discriminant capability of local kernels to complex part-based object models. Experimental results show that the proposed kernel exhibit higher accuracy than state-of-art approaches using standard kernels. PMID:23666108

Burrower bugs (Heteroptera: Cydnidae) in peanut: seasonal species abundance, tillage effects, grade reduction effects, insecticide efficacy, and management.

PubMed

Chapin, Jay W; Thomas, James S

2003-08-01

Pitfall traps placed in South Carolina peanut, Arachis hypogaea (L.), fields collected three species of burrower bugs (Cydnidae): Cyrtomenus ciliatus (Palisot de Beauvois), Sehirus cinctus cinctus (Palisot de Beauvois), and Pangaeus bilineatus (Say). Cyrtomenus ciliatus was rarely collected. Sehirus cinctus produced a nymphal cohort in peanut during May and June, probably because of abundant henbit seeds, Lamium amplexicaule L., in strip-till production systems. No S. cinctus were present during peanut pod formation. Pangaeus bilineatus was the most abundant species collected and the only species associated with peanut kernel feeding injury. Overwintering P. bilineatus adults were present in a conservation tillage peanut field before planting and two to three subsequent generations were observed. Few nymphs were collected until the R6 (full seed) growth stage. Tillage and choice of cover crop affected P. bilineatus populations. Peanuts strip-tilled into corn or wheat residue had greater P. bilineatus populations and kernel-feeding than conventional tillage or strip-tillage into rye residue. Fall tillage before planting a wheat cover crop also reduced burrower bug feeding on peanut. At-pegging (early July) granular chlorpyrifos treatments were most consistent in suppressing kernel feeding. Kernels fed on by P. bilineatus were on average 10% lighter than unfed on kernels. Pangaeus bilineatus feeding reduced peanut grade by reducing individual kernel weight, and increasing the percentage damaged kernels. Each 10% increase in kernels fed on by P. bilineatus was associated with a 1.7% decrease in total sound mature kernels, and kernel feeding levels above 30% increase the risk of damaged kernel grade penalties.

Imaging and automated detection of Sitophilus oryzae (Coleoptera: Curculionidae) pupae in hard red winter wheat.

PubMed

Toews, Michael D; Pearson, Tom C; Campbell, James F

2006-04-01

Computed tomography, an imaging technique commonly used for diagnosing internal human health ailments, uses multiple x-rays and sophisticated software to recreate a cross-sectional representation of a subject. The use of this technique to image hard red winter wheat, Triticum aestivm L., samples infested with pupae of Sitophilus oryzae (L.) was investigated. A software program was developed to rapidly recognize and quantify the infested kernels. Samples were imaged in a 7.6-cm (o.d.) plastic tube containing 0, 50, or 100 infested kernels per kg of wheat. Interkernel spaces were filled with corn oil so as to increase the contrast between voids inside kernels and voids among kernels. Automated image processing, using a custom C language software program, was conducted separately on each 100 g portion of the prepared samples. The average detection accuracy in the five infested kernels per 100-g samples was 94.4 +/- 7.3% (mean +/- SD, n = 10), whereas the average detection accuracy in the 10 infested kernels per 100-g sample was 87.3 +/- 7.9% (n = 10). Detection accuracy in the 10 infested kernels per 100-g samples was slightly less than the five infested kernels per 100-g samples because of some infested kernels overlapping with each other or air bubbles in the oil. A mean of 1.2 +/- 0.9 (n = 10) bubbles (per tube) was incorrectly classed as infested kernels in replicates containing no infested kernels. In light of these positive results, future studies should be conducted using additional grains, insect species, and life stages.

Relationship of source and sink in determining kernel composition of maize

PubMed Central

Seebauer, Juliann R.; Singletary, George W.; Krumpelman, Paulette M.; Ruffo, Matías L.; Below, Frederick E.

2010-01-01

The relative role of the maternal source and the filial sink in controlling the composition of maize (Zea mays L.) kernels is unclear and may be influenced by the genotype and the N supply. The objective of this study was to determine the influence of assimilate supply from the vegetative source and utilization of assimilates by the grain sink on the final composition of maize kernels. Intermated B73×Mo17 recombinant inbred lines (IBM RILs) which displayed contrasting concentrations of endosperm starch were grown in the field with deficient or sufficient N, and the source supply altered by ear truncation (45% reduction) at 15 d after pollination (DAP). The assimilate supply into the kernels was determined at 19 DAP using the agar trap technique, and the final kernel composition was measured. The influence of N supply and kernel ear position on final kernel composition was also determined for a commercial hybrid. Concentrations of kernel protein and starch could be altered by genotype or the N supply, but remained fairly constant along the length of the ear. Ear truncation also produced a range of variation in endosperm starch and protein concentrations. The C/N ratio of the assimilate supply at 19 DAP was directly related to the final kernel composition, with an inverse relationship between the concentrations of starch and protein in the mature endosperm. The accumulation of kernel starch and protein in maize is uniform along the ear, yet adaptable within genotypic limits, suggesting that kernel composition is source limited in maize. PMID:19917600

Genetic dissection of the maize kernel development process via conditional QTL mapping for three developing kernel-related traits in an immortalized F2 population.

PubMed

Zhang, Zhanhui; Wu, Xiangyuan; Shi, Chaonan; Wang, Rongna; Li, Shengfei; Wang, Zhaohui; Liu, Zonghua; Xue, Yadong; Tang, Guiliang; Tang, Jihua

2016-02-01

Kernel development is an important dynamic trait that determines the final grain yield in maize. To dissect the genetic basis of maize kernel development process, a conditional quantitative trait locus (QTL) analysis was conducted using an immortalized F2 (IF2) population comprising 243 single crosses at two locations over 2 years. Volume (KV) and density (KD) of dried developing kernels, together with kernel weight (KW) at different developmental stages, were used to describe dynamic changes during kernel development. Phenotypic analysis revealed that final KW and KD were determined at DAP22 and KV at DAP29. Unconditional QTL mapping for KW, KV and KD uncovered 97 QTLs at different kernel development stages, of which qKW6b, qKW7a, qKW7b, qKW10b, qKW10c, qKV10a, qKV10b and qKV7 were identified under multiple kernel developmental stages and environments. Among the 26 QTLs detected by conditional QTL mapping, conqKW7a, conqKV7a, conqKV10a, conqKD2, conqKD7 and conqKD8a were conserved between the two mapping methodologies. Furthermore, most of these QTLs were consistent with QTLs and genes for kernel development/grain filling reported in previous studies. These QTLs probably contain major genes associated with the kernel development process, and can be used to improve grain yield and quality through marker-assisted selection.

Image quality of mixed convolution kernel in thoracic computed tomography.

PubMed

Neubauer, Jakob; Spira, Eva Maria; Strube, Juliane; Langer, Mathias; Voss, Christian; Kotter, Elmar

2016-11-01

The mixed convolution kernel alters his properties geographically according to the depicted organ structure, especially for the lung. Therefore, we compared the image quality of the mixed convolution kernel to standard soft and hard kernel reconstructions for different organ structures in thoracic computed tomography (CT) images.Our Ethics Committee approved this prospective study. In total, 31 patients who underwent contrast-enhanced thoracic CT studies were included after informed consent. Axial reconstructions were performed with hard, soft, and mixed convolution kernel. Three independent and blinded observers rated the image quality according to the European Guidelines for Quality Criteria of Thoracic CT for 13 organ structures. The observers rated the depiction of the structures in all reconstructions on a 5-point Likert scale. Statistical analysis was performed with the Friedman Test and post hoc analysis with the Wilcoxon rank-sum test.Compared to the soft convolution kernel, the mixed convolution kernel was rated with a higher image quality for lung parenchyma, segmental bronchi, and the border between the pleura and the thoracic wall (P < 0.03). Compared to the hard convolution kernel, the mixed convolution kernel was rated with a higher image quality for aorta, anterior mediastinal structures, paratracheal soft tissue, hilar lymph nodes, esophagus, pleuromediastinal border, large and medium sized pulmonary vessels and abdomen (P < 0.004) but a lower image quality for trachea, segmental bronchi, lung parenchyma, and skeleton (P < 0.001).The mixed convolution kernel cannot fully substitute the standard CT reconstructions. Hard and soft convolution kernel reconstructions still seem to be mandatory for thoracic CT.

21 CFR 176.350 - Tamarind seed kernel powder.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Tamarind seed kernel powder. 176.350 Section 176... Paperboard § 176.350 Tamarind seed kernel powder. Tamarind seed kernel powder may be safely used as a component of articles intended for use in producing, manufacturing, packing, processing, preparing, treating...

Local Observed-Score Kernel Equating

ERIC Educational Resources Information Center

Wiberg, Marie; van der Linden, Wim J.; von Davier, Alina A.

2014-01-01

Three local observed-score kernel equating methods that integrate methods from the local equating and kernel equating frameworks are proposed. The new methods were compared with their earlier counterparts with respect to such measures as bias--as defined by Lord's criterion of equity--and percent relative error. The local kernel item response…

7 CFR 51.1241 - Damage.

Code of Federal Regulations, 2010 CFR

2010-01-01

... which have been broken to the extent that the kernel within is plainly visible without minute... discoloration beneath, but the peanut shall be judged as it appears with the talc. (c) Kernels which are rancid or decayed. (d) Moldy kernels. (e) Kernels showing sprouts extending more than one-eighth inch from...

7 CFR 981.61 - Redetermination of kernel weight.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 8 2010-01-01 2010-01-01 false Redetermination of kernel weight. 981.61 Section 981... GROWN IN CALIFORNIA Order Regulating Handling Volume Regulation § 981.61 Redetermination of kernel weight. The Board, on the basis of reports by handlers, shall redetermine the kernel weight of almonds...

7 CFR 981.60 - Determination of kernel weight.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 8 2010-01-01 2010-01-01 false Determination of kernel weight. 981.60 Section 981.60... Regulating Handling Volume Regulation § 981.60 Determination of kernel weight. (a) Almonds for which settlement is made on kernel weight. All lots of almonds, whether shelled or unshelled, for which settlement...

Genome-wide Association Analysis of Kernel Weight in Hard Winter Wheat

USDA-ARS?s Scientific Manuscript database

Wheat kernel weight is an important and heritable component of wheat grain yield and a key predictor of flour extraction. Genome-wide association analysis was conducted to identify genomic regions associated with kernel weight and kernel weight environmental response in 8 trials of 299 hard winter ...

7 CFR 999.400 - Regulation governing the importation of filberts.

Code of Federal Regulations, 2010 CFR

2010-01-01

...) Definitions. (1) Filberts means filberts or hazelnuts. (2) Inshell filberts means filberts, the kernels or edible portions of which are contained in the shell. (3) Shelled filberts means the kernels of filberts... Filbert kernels or portions of filbert kernels shall meet the following requirements: (1) Well dried and...