Normalization of CT scans reconstructed with different kernels to reduce variability in emphysema measurements

NASA Astrophysics Data System (ADS)

Gallardo Estrella, L.; van Ginneken, B.; van Rikxoort, E. M.

2013-03-01

Chronic Obstructive Pulmonary Disease (COPD) is a lung disease characterized by progressive air flow limitation caused by emphysema and chronic bronchitis. Emphysema is quantified from chest computed tomography (CT) scans as the percentage of attentuation values below a fixed threshold. The emphysema quantification varies substantially between scans reconstructed with different kernels, limiting the possibilities to compare emphysema quantifications obtained from scans with different reconstruction parameters. In this paper we propose a method to normalize scans reconstructed with different kernels to have the same characteristics as scans reconstructed with a reference kernel and investigate if this normalization reduces the variability in emphysema quantification. The proposed normalization splits a CT scan into different frequency bands based on hierarchical unsharp masking. Normalization is performed by changing the energy in each frequency band to the average energy in each band in the reference kernel. A database of 15 subjects with COPD was constructed for this study. All subjects were scanned at total lung capacity and the scans were reconstructed with four different reconstruction kernels. The normalization was applied to all scans. Emphysema quantification was performed before and after normalization. It is shown that the emphysema score varies substantially before normalization but the variation diminishes after normalization.

TH-C-BRD-04: Beam Modeling and Validation with Triple and Double Gaussian Dose Kernel for Spot Scanning Proton Beams

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

Hirayama, S; Takayanagi, T; Fujii, Y

2014-06-15

Purpose: To present the validity of our beam modeling with double and triple Gaussian dose kernels for spot scanning proton beams in Nagoya Proton Therapy Center. This study investigates the conformance between the measurements and calculation results in absolute dose with two types of beam kernel. Methods: A dose kernel is one of the important input data required for the treatment planning software. The dose kernel is the 3D dose distribution of an infinitesimal pencil beam of protons in water and consists of integral depth doses and lateral distributions. We have adopted double and triple Gaussian model as lateral distributionmore » in order to take account of the large angle scattering due to nuclear reaction by fitting simulated inwater lateral dose profile for needle proton beam at various depths. The fitted parameters were interpolated as a function of depth in water and were stored as a separate look-up table for the each beam energy. The process of beam modeling is based on the method of MDACC [X.R.Zhu 2013]. Results: From the comparison results between the absolute doses calculated by double Gaussian model and those measured at the center of SOBP, the difference is increased up to 3.5% in the high-energy region because the large angle scattering due to nuclear reaction is not sufficiently considered at intermediate depths in the double Gaussian model. In case of employing triple Gaussian dose kernels, the measured absolute dose at the center of SOBP agrees with calculation within ±1% regardless of the SOBP width and maximum range. Conclusion: We have demonstrated the beam modeling results of dose distribution employing double and triple Gaussian dose kernel. Treatment planning system with the triple Gaussian dose kernel has been successfully verified and applied to the patient treatment with a spot scanning technique in Nagoya Proton Therapy Center.« less

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

Birmingham, D.; Kantowski, R.; Milton, K.A.

We use two methods of computing the unique logarithmically divergent part of the Casimir energy for massive scalar and spinor fields defined on even-dimensional Kaluza-Klein spaces of the form M/sup 4/ x S/sup N//sup 1/ x S/sup N//sup 2/ x xxx. Both methods (heat kernel and direct) give identical results. The first evaluates the required internal zeta function by identifying it in the asymptotic expansion of the trace of the heat kernel, and the second evaluates the zeta function directly using the Euler-Maclaurin sum formula. In Appendix C we tabulate these energies for all spaces of total internal dimension lessmore » than or equal to6. These methods are easily applied to vector and tensor fields needed in computing one-loop vacuum gravitational energies on these spaces. Stable solutions are given for internal structure S/sup 2/ x S/sup 2/.« less

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.

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.

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

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.

7 CFR 4288.102 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-01-01

... biomass, other than corn kernel starch, to include: (1) Biofuel derived from cellulose, hemicellulose, or lignin; (2) Biofuel derived from sugar and starch (other than ethanol derived from corn kernel starch... kernel starch. Eligible renewable energy content. That portion of an advanced biofuel's energy content...

7 CFR 4288.102 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-01-01

... biomass, other than corn kernel starch, to include: (1) Biofuel derived from cellulose, hemicellulose, or lignin; (2) Biofuel derived from sugar and starch (other than ethanol derived from corn kernel starch... kernel starch. Eligible renewable energy content. That portion of an advanced biofuel's energy content...

7 CFR 4288.102 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-01-01

... biomass, other than corn kernel starch, to include: (1) Biofuel derived from cellulose, hemicellulose, or lignin; (2) Biofuel derived from sugar and starch (other than ethanol derived from corn kernel starch... kernel starch. Eligible renewable energy content. That portion of an advanced biofuel's energy content...

A Kernel-Free Particle-Finite Element Method for Hypervelocity Impact Simulation. Chapter 4

NASA Technical Reports Server (NTRS)

Park, Young-Keun; Fahrenthold, Eric P.

2004-01-01

An improved hybrid particle-finite element method has been developed for the simulation of hypervelocity impact problems. Unlike alternative methods, the revised formulation computes the density without reference to any kernel or interpolation functions, for either the density or the rate of dilatation. This simplifies the state space model and leads to a significant reduction in computational cost. The improved method introduces internal energy variables as generalized coordinates in a new formulation of the thermomechanical Lagrange equations. Example problems show good agreement with exact solutions in one dimension and good agreement with experimental data in a three dimensional simulation.

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.

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.

Forced Ignition Study Based On Wavelet Method

NASA Astrophysics Data System (ADS)

Martelli, E.; Valorani, M.; Paolucci, S.; Zikoski, Z.

2011-05-01

The control of ignition in a rocket engine is a critical problem for combustion chamber design. Therefore it is essential to fully understand the mechanism of ignition during its earliest stages. In this paper the characteristics of flame kernel formation and initial propagation in a hydrogen-argon-oxygen mixing layer are studied using 2D direct numerical simulations with detailed chemistry and transport properties. The flame kernel is initiated by adding an energy deposition source term in the energy equation. The effect of unsteady strain rate is studied by imposing a 2D turbulence velocity field, which is initialized by means of a synthetic field. An adaptive wavelet method, based on interpolating wavelets is used in this study to solve the compressible reactive Navier- Stokes equations. This method provides an alternative means to refine the computational grid points according to local demands of the physical solution. The present simulations show that in the very early instants the kernel perturbed by the turbulent field is characterized by an increased burning area and a slightly increased rad- ical formation. In addition, the calculations show that the wavelet technique yields a significant reduction in the number of degrees of freedom necessary to achieve a pre- scribed solution accuracy.

Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculations

NASA Astrophysics Data System (ADS)

Leal, Allan M. M.; Kulik, Dmitrii A.; Kosakowski, Georg

2016-02-01

We present a numerical method for multiphase chemical equilibrium calculations based on a Gibbs energy minimization approach. The method can accurately and efficiently determine the stable phase assemblage at equilibrium independently of the type of phases and species that constitute the chemical system. We have successfully applied our chemical equilibrium algorithm in reactive transport simulations to demonstrate its effective use in computationally intensive applications. We used FEniCS to solve the governing partial differential equations of mass transport in porous media using finite element methods in unstructured meshes. Our equilibrium calculations were benchmarked with GEMS3K, the numerical kernel of the geochemical package GEMS. This allowed us to compare our results with a well-established Gibbs energy minimization algorithm, as well as their performance on every mesh node, at every time step of the transport simulation. The benchmark shows that our novel chemical equilibrium algorithm is accurate, robust, and efficient for reactive transport applications, and it is an improvement over the Gibbs energy minimization algorithm used in GEMS3K. The proposed chemical equilibrium method has been implemented in Reaktoro, a unified framework for modeling chemically reactive systems, which is now used as an alternative numerical kernel of GEMS.

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.

Deep Restricted Kernel Machines Using Conjugate Feature Duality.

PubMed

Suykens, Johan A K

2017-08-01

The aim of this letter is to propose a theory of deep restricted kernel machines offering new foundations for deep learning with kernel machines. From the viewpoint of deep learning, it is partially related to restricted Boltzmann machines, which are characterized by visible and hidden units in a bipartite graph without hidden-to-hidden connections and deep learning extensions as deep belief networks and deep Boltzmann machines. From the viewpoint of kernel machines, it includes least squares support vector machines for classification and regression, kernel principal component analysis (PCA), matrix singular value decomposition, and Parzen-type models. A key element is to first characterize these kernel machines in terms of so-called conjugate feature duality, yielding a representation with visible and hidden units. It is shown how this is related to the energy form in restricted Boltzmann machines, with continuous variables in a nonprobabilistic setting. In this new framework of so-called restricted kernel machine (RKM) representations, the dual variables correspond to hidden features. Deep RKM are obtained by coupling the RKMs. The method is illustrated for deep RKM, consisting of three levels with a least squares support vector machine regression level and two kernel PCA levels. In its primal form also deep feedforward neural networks can be trained within this framework.

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.

Technical Note: Dose gradients and prescription isodose in orthovoltage stereotactic radiosurgery

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

Fagerstrom, Jessica M., E-mail: fagerstrom@wisc.edu; Bender, Edward T.; Culberson, Wesley S.

Purpose: The purpose of this work is to examine the trade-off between prescription isodose and dose gradients in orthovoltage stereotactic radiosurgery. Methods: Point energy deposition kernels (EDKs) describing photon and electron transport were calculated using Monte Carlo methods. EDKs were generated from 10  to 250 keV, in 10 keV increments. The EDKs were converted to pencil beam kernels and used to calculate dose profiles through isocenter from a 4π isotropic delivery from all angles of circularly collimated beams. Monoenergetic beams and an orthovoltage polyenergetic spectrum were analyzed. The dose gradient index (DGI) is the ratio of the 50% prescription isodosemore » volume to the 100% prescription isodose volume and represents a metric by which dose gradients in stereotactic radiosurgery (SRS) may be evaluated. Results: Using the 4π dose profiles calculated using pencil beam kernels, the relationship between DGI and prescription isodose was examined for circular cones ranging from 4 to 18 mm in diameter and monoenergetic photon beams with energies ranging from 20 to 250 keV. Values were found to exist for prescription isodose that optimize DGI. Conclusions: The relationship between DGI and prescription isodose was found to be dependent on both field size and energy. Examining this trade-off is an important consideration for designing optimal SRS systems.« less

Control of Early Flame Kernel Growth by Multi-Wavelength Laser Pulses for Enhanced Ignition

DOE PAGES

Dumitrache, Ciprian; VanOsdol, Rachel; Limbach, Christopher M.; ...

2017-08-31

The present contribution examines the impact of plasma dynamics and plasma-driven fluid dynamics on the flame growth of laser ignited mixtures and shows that a new dual-pulse scheme can be used to control the kernel formation process in ways that extend the lean ignition limit. We do this by performing a comparative study between (conventional) single-pulse laser ignition (λ = 1064 nm) and a novel dual-pulse method based on combining an ultraviolet (UV) pre-ionization pulse (λ = 266 nm) with an overlapped near-infrared (NIR) energy addition pulse (λ = 1064 nm). We employ OH* chemiluminescence to visualize the evolution ofmore » the early flame kernel. For single-pulse laser ignition at lean conditions, the flame kernel separates through third lobe detachment, corresponding to high strain rates that extinguish the flame. In this work, we investigate the capabilities of the dual-pulse to control the plasma-driven fluid dynamics by adjusting the axial offset of the two focal points. In particular, we find there exists a beam waist offset whereby the resulting vorticity suppresses formation of the third lobe, consequently reducing flame stretch. With this approach, we demonstrate that the dual-pulse method enables reduced flame speeds (at early times), an extended lean limit, increased combustion efficiency, and decreased laser energy requirements.« less

Control of Early Flame Kernel Growth by Multi-Wavelength Laser Pulses for Enhanced Ignition

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

Dumitrache, Ciprian; VanOsdol, Rachel; Limbach, Christopher M.

The present contribution examines the impact of plasma dynamics and plasma-driven fluid dynamics on the flame growth of laser ignited mixtures and shows that a new dual-pulse scheme can be used to control the kernel formation process in ways that extend the lean ignition limit. We do this by performing a comparative study between (conventional) single-pulse laser ignition (λ = 1064 nm) and a novel dual-pulse method based on combining an ultraviolet (UV) pre-ionization pulse (λ = 266 nm) with an overlapped near-infrared (NIR) energy addition pulse (λ = 1064 nm). We employ OH* chemiluminescence to visualize the evolution ofmore » the early flame kernel. For single-pulse laser ignition at lean conditions, the flame kernel separates through third lobe detachment, corresponding to high strain rates that extinguish the flame. In this work, we investigate the capabilities of the dual-pulse to control the plasma-driven fluid dynamics by adjusting the axial offset of the two focal points. In particular, we find there exists a beam waist offset whereby the resulting vorticity suppresses formation of the third lobe, consequently reducing flame stretch. With this approach, we demonstrate that the dual-pulse method enables reduced flame speeds (at early times), an extended lean limit, increased combustion efficiency, and decreased laser energy requirements.« less

Control of Early Flame Kernel Growth by Multi-Wavelength Laser Pulses for Enhanced Ignition.

PubMed

Dumitrache, Ciprian; VanOsdol, Rachel; Limbach, Christopher M; Yalin, Azer P

2017-08-31

The present contribution examines the impact of plasma dynamics and plasma-driven fluid dynamics on the flame growth of laser ignited mixtures and shows that a new dual-pulse scheme can be used to control the kernel formation process in ways that extend the lean ignition limit. We perform a comparative study between (conventional) single-pulse laser ignition (λ = 1064 nm) and a novel dual-pulse method based on combining an ultraviolet (UV) pre-ionization pulse (λ = 266 nm) with an overlapped near-infrared (NIR) energy addition pulse (λ = 1064 nm). We employ OH* chemiluminescence to visualize the evolution of the early flame kernel. For single-pulse laser ignition at lean conditions, the flame kernel separates through third lobe detachment, corresponding to high strain rates that extinguish the flame. In this work, we investigate the capabilities of the dual-pulse to control the plasma-driven fluid dynamics by adjusting the axial offset of the two focal points. In particular, we find there exists a beam waist offset whereby the resulting vorticity suppresses formation of the third lobe, consequently reducing flame stretch. With this approach, we demonstrate that the dual-pulse method enables reduced flame speeds (at early times), an extended lean limit, increased combustion efficiency, and decreased laser energy requirements.

SU-C-9A-03: Simultaneous Deconvolution and Segmentation for PET Tumor Delineation Using a Variational Method

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

Li, L; Tan, S; Lu, W

2014-06-01

Purpose: To implement a new method that integrates deconvolution with segmentation under the variational framework for PET tumor delineation. Methods: Deconvolution and segmentation are both challenging problems in image processing. The partial volume effect (PVE) makes tumor boundaries in PET image blurred which affects the accuracy of tumor segmentation. Deconvolution aims to obtain a PVE-free image, which can help to improve the segmentation accuracy. Conversely, a correct localization of the object boundaries is helpful to estimate the blur kernel, and thus assist in the deconvolution. In this study, we proposed to solve the two problems simultaneously using a variational methodmore » so that they can benefit each other. The energy functional consists of a fidelity term and a regularization term, and the blur kernel was limited to be the isotropic Gaussian kernel. We minimized the energy functional by solving the associated Euler-Lagrange equations and taking the derivative with respect to the parameters of the kernel function. An alternate minimization method was used to iterate between segmentation, deconvolution and blur-kernel recovery. The performance of the proposed method was tested on clinic PET images of patients with non-Hodgkin's lymphoma, and compared with seven other segmentation methods using the dice similarity index (DSI) and volume error (VE). Results: Among all segmentation methods, the proposed one (DSI=0.81, VE=0.05) has the highest accuracy, followed by the active contours without edges (DSI=0.81, VE=0.25), while other methods including the Graph Cut and the Mumford-Shah (MS) method have lower accuracy. A visual inspection shows that the proposed method localizes the real tumor contour very well. Conclusion: The result showed that deconvolution and segmentation can contribute to each other. The proposed variational method solve the two problems simultaneously, and leads to a high performance for tumor segmentation in PET. This work was supported in part by National Natural Science Foundation of China (NNSFC), under Grant Nos. 60971112 and 61375018, and Fundamental Research Funds for the Central Universities, under Grant No. 2012QN086. Wei Lu was supported in part by the National Institutes of Health (NIH) Grant No. R01 CA172638.« less

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.

Exploring microwave resonant multi-point ignition using high-speed schlieren imaging

NASA Astrophysics Data System (ADS)

Liu, Cheng; Zhang, Guixin; Xie, Hong; Deng, Lei; Wang, Zhi

2018-03-01

Microwave plasma offers a potential method to achieve rapid combustion in a high-speed combustor. In this paper, microwave resonant multi-point ignition and its control method have been studied via high-speed schlieren imaging. The experiment was conducted with the microwave resonant ignition system and the schlieren optical system. The microwave pulse in 2.45 GHz with 2 ms width and 3 kW peak power was employed as an ignition energy source to produce initial flame kernels in the combustion chamber. A reflective schlieren method was designed to illustrate the flame development process with a high-speed camera. The bottom of the combustion chamber was made of a quartz glass coated with indium tin oxide, which ensures sufficient microwave reflection and light penetration. Ignition experiments were conducted at 2 bars of stoichiometric methane-air mixtures. Schlieren images show that flame kernels were generated at more than one location simultaneously and flame propagated with different speeds in different flame kernels. Ignition kernels were discussed in three types according to their appearances. Pressure curves and combustion duration also show that multi-point ignition plays a significant role in accelerating combustion.

Exploring microwave resonant multi-point ignition using high-speed schlieren imaging.

PubMed

Liu, Cheng; Zhang, Guixin; Xie, Hong; Deng, Lei; Wang, Zhi

2018-03-01

Microwave plasma offers a potential method to achieve rapid combustion in a high-speed combustor. In this paper, microwave resonant multi-point ignition and its control method have been studied via high-speed schlieren imaging. The experiment was conducted with the microwave resonant ignition system and the schlieren optical system. The microwave pulse in 2.45 GHz with 2 ms width and 3 kW peak power was employed as an ignition energy source to produce initial flame kernels in the combustion chamber. A reflective schlieren method was designed to illustrate the flame development process with a high-speed camera. The bottom of the combustion chamber was made of a quartz glass coated with indium tin oxide, which ensures sufficient microwave reflection and light penetration. Ignition experiments were conducted at 2 bars of stoichiometric methane-air mixtures. Schlieren images show that flame kernels were generated at more than one location simultaneously and flame propagated with different speeds in different flame kernels. Ignition kernels were discussed in three types according to their appearances. Pressure curves and combustion duration also show that multi-point ignition plays a significant role in accelerating combustion.

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 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

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.

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

A Experimental Study of the Growth of Laser Spark and Electric Spark Ignited Flame Kernels.

NASA Astrophysics Data System (ADS)

Ho, Chi Ming

1995-01-01

Better ignition sources are constantly in demand for enhancing the spark ignition in practical applications such as automotive and liquid rocket engines. In response to this practical challenge, the present experimental study was conducted with the major objective to obtain a better understanding on how spark formation and hence spark characteristics affect the flame kernel growth. Two laser sparks and one electric spark were studied in air, propane-air, propane -air-nitrogen, methane-air, and methane-oxygen mixtures that were initially at ambient pressure and temperature. The growth of the kernels was monitored by imaging the kernels with shadowgraph systems, and by imaging the planar laser -induced fluorescence of the hydroxyl radicals inside the kernels. Characteristic dimensions and kernel structures were obtained from these images. Since different energy transfer mechanisms are involved in the formation of a laser spark as compared to that of an electric spark; a laser spark is insensitive to changes in mixture ratio and mixture type, while an electric spark is sensitive to changes in both. The detailed structures of the kernels in air and propane-air mixtures primarily depend on the spark characteristics. But the combustion heat released rapidly in methane-oxygen mixtures significantly modifies the kernel structure. Uneven spark energy distribution causes remarkably asymmetric kernel structure. The breakdown energy of a spark creates a blast wave that shows good agreement with the numerical point blast solution, and a succeeding complex spark-induced flow that agrees reasonably well with a simple puff model. The transient growth rates of the propane-air, propane-air -nitrogen, and methane-air flame kernels can be interpreted in terms of spark effects, flame stretch, and preferential diffusion. For a given mixture, a spark with higher breakdown energy produces a greater and longer-lasting enhancing effect on the kernel growth rate. By comparing the growth rates of the appropriate mixtures, the positive and negative effects of preferential diffusion and flame stretch on the developing flame are clearly demonstrated.

Carbothermic Synthesis of 820 m UN Kernels: Literature Review, Thermodynamics, Analysis, and Related Experiments

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

Lindemer, Terrence; Voit, Stewart L; Silva, Chinthaka M

2014-01-01

The U.S. Department of Energy is considering a new nuclear fuel that would be less susceptible to ruptures during a loss-of-coolant accident. The fuel would consist of tristructural isotropic coated particles with large, dense uranium nitride (UN) kernels. This effort explores many factors involved in using gel-derived uranium oxide-carbon microspheres to make large UN kernels. Analysis of recent studies with sufficient experimental details is provided. Extensive thermodynamic calculations are used to predict carbon monoxide and other pressures for several different reactions that may be involved in conversion of uranium oxides and carbides to UN. Experimentally, the method for making themore » gel-derived microspheres is described. These were used in a microbalance with an attached mass spectrometer to determine details of carbothermic conversion in argon, nitrogen, or vacuum. A quantitative model is derived from experiments for vacuum conversion to an uranium oxide-carbide kernel.« less

Bose–Einstein condensation temperature of finite systems

NASA Astrophysics Data System (ADS)

Xie, Mi

2018-05-01

In studies of the Bose–Einstein condensation of ideal gases in finite systems, the divergence problem usually arises in the equation of state. In this paper, we present a technique based on the heat kernel expansion and zeta function regularization to solve the divergence problem, and obtain the analytical expression of the Bose–Einstein condensation temperature for general finite systems. The result is represented by the heat kernel coefficients, where the asymptotic energy spectrum of the system is used. Besides the general case, for systems with exact spectra, e.g. ideal gases in an infinite slab or in a three-sphere, the sums of the spectra can be obtained exactly and the calculation of corrections to the critical temperatures is more direct. For a system confined in a bounded potential, the form of the heat kernel is different from the usual heat kernel expansion. We show that as long as the asymptotic form of the global heat kernel can be found, our method works. For Bose gases confined in three- and two-dimensional isotropic harmonic potentials, we obtain the higher-order corrections to the usual results of the critical temperatures. Our method can also be applied to the problem of generalized condensation, and we give the correction of the boundary on the second critical temperature in a highly anisotropic slab.

Quantized kernel least mean square algorithm.

PubMed

Chen, Badong; Zhao, Songlin; Zhu, Pingping; Príncipe, José C

2012-01-01

In this paper, we propose a quantization approach, as an alternative of sparsification, to curb the growth of the radial basis function structure in kernel adaptive filtering. The basic idea behind this method is to quantize and hence compress the input (or feature) space. Different from sparsification, the new approach uses the "redundant" data to update the coefficient of the closest center. In particular, a quantized kernel least mean square (QKLMS) algorithm is developed, which is based on a simple online vector quantization method. The analytical study of the mean square convergence has been carried out. The energy conservation relation for QKLMS is established, and on this basis we arrive at a sufficient condition for mean square convergence, and a lower and upper bound on the theoretical value of the steady-state excess mean square error. Static function estimation and short-term chaotic time-series prediction examples are presented to demonstrate the excellent performance.

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.

Enhanced gluten properties in soft kernel durum wheat

USDA-ARS?s Scientific Manuscript database

Soft kernel durum wheat is a relatively recent development (Morris et al. 2011 Crop Sci. 51:114). The soft kernel trait exerts profound effects on kernel texture, flour milling including break flour yield, milling energy, and starch damage, and dough water absorption (DWA). With the caveat of reduce...

Experiences in autotuning matrix multiplication for energy minimization on GPUs

DOE PAGES

Anzt, Hartwig; Haugen, Blake; Kurzak, Jakub; ...

2015-05-20

In this study, we report extensive results and analysis of autotuning the computationally intensive graphics processing units kernel for dense matrix–matrix multiplication in double precision. In contrast to traditional autotuning and/or optimization for runtime performance only, we also take the energy efficiency into account. For kernels achieving equal performance, we show significant differences in their energy balance. We also identify the memory throughput as the most influential metric that trades off performance and energy efficiency. Finally, as a result, the performance optimal case ends up not being the most efficient kernel in overall resource use.

Many Molecular Properties from One Kernel in Chemical Space

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

Ramakrishnan, Raghunathan; von Lilienfeld, O. Anatole

We introduce property-independent kernels for machine learning modeling of arbitrarily many molecular properties. The kernels encode molecular structures for training sets of varying size, as well as similarity measures sufficiently diffuse in chemical space to sample over all training molecules. Corresponding molecular reference properties provided, they enable the instantaneous generation of ML models which can systematically be improved through the addition of more data. This idea is exemplified for single kernel based modeling of internal energy, enthalpy, free energy, heat capacity, polarizability, electronic spread, zero-point vibrational energy, energies of frontier orbitals, HOMOLUMO gap, and the highest fundamental vibrational wavenumber. Modelsmore » of these properties are trained and tested using 112 kilo organic molecules of similar size. Resulting models are discussed as well as the kernels’ use for generating and using other property models.« 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.

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.

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).

Nutrition quality of extraction mannan residue from palm kernel cake on brolier chicken

NASA Astrophysics Data System (ADS)

Tafsin, M.; Hanafi, N. D.; Kejora, E.; Yusraini, E.

2018-02-01

This study aims to find out the nutrient residue of palm kernel cake from mannan extraction on broiler chicken by evaluating physical quality (specific gravity, bulk density and compacted bulk density), chemical quality (proximate analysis and Van Soest Test) and biological test (metabolizable energy). Treatment composed of T0 : palm kernel cake extracted aquadest (control), T1 : palm kernel cake extracted acetic acid (CH3COOH) 1%, T2 : palm kernel cake extracted aquadest + mannanase enzyme 100 u/l and T3 : palm kernel cake extracted acetic acid (CH3COOH) 1% + enzyme mannanase 100 u/l. The results showed that mannan extraction had significant effect (P<0.05) in improving the quality of physical and numerically increase the value of crude protein and decrease the value of NDF (Neutral Detergent Fiber). Treatments had highly significant influence (P<0.01) on the metabolizable energy value of palm kernel cake residue in broiler chickens. It can be concluded that extraction with aquadest + enzyme mannanase 100 u/l yields the best nutrient quality of palm kernel cake residue for broiler chicken.

Handling Density Conversion in TPS.

PubMed

Isobe, Tomonori; Mori, Yutaro; Takei, Hideyuki; Sato, Eisuke; Tadano, Kiichi; Kobayashi, Daisuke; Tomita, Tetsuya; Sakae, Takeji

2016-01-01

Conversion from CT value to density is essential to a radiation treatment planning system. Generally CT value is converted to the electron density in photon therapy. In the energy range of therapeutic photon, interactions between photons and materials are dominated with Compton scattering which the cross-section depends on the electron density. The dose distribution is obtained by calculating TERMA and kernel using electron density where TERMA is the energy transferred from primary photons and kernel is a volume considering spread electrons. Recently, a new method was introduced which uses the physical density. This method is expected to be faster and more accurate than that using the electron density. As for particle therapy, dose can be calculated with CT-to-stopping power conversion since the stopping power depends on the electron density. CT-to-stopping power conversion table is also called as CT-to-water-equivalent range and is an essential concept for the particle therapy.

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,…

Kernel K-Means Sampling for Nyström Approximation.

PubMed

He, Li; Zhang, Hong

2018-05-01

A fundamental problem in Nyström-based kernel matrix approximation is the sampling method by which training set is built. In this paper, we suggest to use kernel -means sampling, which is shown in our works to minimize the upper bound of a matrix approximation error. We first propose a unified kernel matrix approximation framework, which is able to describe most existing Nyström approximations under many popular kernels, including Gaussian kernel and polynomial kernel. We then show that, the matrix approximation error upper bound, in terms of the Frobenius norm, is equal to the -means error of data points in kernel space plus a constant. Thus, the -means centers of data in kernel space, or the kernel -means centers, are the optimal representative points with respect to the Frobenius norm error upper bound. Experimental results, with both Gaussian kernel and polynomial kernel, on real-world data sets and image segmentation tasks show the superiority of the proposed method over the state-of-the-art methods.

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.

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.

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

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

Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem.

PubMed

Bleiziffer, Patrick; Schmidtel, Daniel; Görling, Andreas

2014-11-28

The occurrence of instabilities, in particular singlet-triplet and singlet-singlet instabilities, in the exact-exchange (EXX) Kohn-Sham method is investigated. Hessian matrices of the EXX electronic energy with respect to the expansion coefficients of the EXX effective Kohn-Sham potential in an auxiliary basis set are derived. The eigenvalues of these Hessian matrices determine whether or not instabilities are present. Similar as in the corresponding Hartree-Fock case instabilities in the EXX method are related to symmetry breaking of the Hamiltonian operator for the EXX orbitals. In the EXX methods symmetry breaking can easily be visualized by displaying the local multiplicative exchange potential. Examples (N2, O2, and the polyyne C10H2) for instabilities and symmetry breaking are discussed. The relation of the stability conditions for EXX methods to approaches calculating the Kohn-Sham correlation energy via the adiabatic-connection fluctuation-dissipation (ACFD) theorem is discussed. The existence or nonexistence of singlet-singlet instabilities in an EXX calculation is shown to indicate whether or not the frequency-integration in the evaluation of the correlation energy is singular in the EXX-ACFD method. This method calculates the Kohn-Sham correlation energy through the ACFD theorem theorem employing besides the Coulomb kernel also the full frequency-dependent exchange kernel and yields highly accurate electronic energies. For the case of singular frequency-integrands in the EXX-ACFD method a regularization is suggested. Finally, we present examples of molecular systems for which the self-consistent field procedure of the EXX as well as the Hartree-Fock method can converge to more than one local minimum depending on the initial conditions.

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

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%.

An efficient method to determine double Gaussian fluence parameters in the eclipse™ proton pencil beam model.

PubMed

Shen, Jiajian; Liu, Wei; Stoker, Joshua; Ding, Xiaoning; Anand, Aman; Hu, Yanle; Herman, Michael G; Bues, Martin

2016-12-01

To find an efficient method to configure the proton fluence for a commercial proton pencil beam scanning (PBS) treatment planning system (TPS). An in-water dose kernel was developed to mimic the dose kernel of the pencil beam convolution superposition algorithm, which is part of the commercial proton beam therapy planning software, eclipse™ (Varian Medical Systems, Palo Alto, CA). The field size factor (FSF) was calculated based on the spot profile reconstructed by the in-house dose kernel. The workflow of using FSFs to find the desirable proton fluence is presented. The in-house derived spot profile and FSF were validated by a direct comparison with those calculated by the eclipse TPS. The validation included 420 comparisons of the FSFs from 14 proton energies, various field sizes from 2 to 20 cm and various depths from 20% to 80% of proton range. The relative in-water lateral profiles between the in-house calculation and the eclipse TPS agree very well even at the level of 10 -4 . The FSFs between the in-house calculation and the eclipse TPS also agree well. The maximum deviation is within 0.5%, and the standard deviation is less than 0.1%. The authors' method significantly reduced the time to find the desirable proton fluences of the clinical energies. The method is extensively validated and can be applied to any proton centers using PBS and the eclipse TPS.

An iterative kernel based method for fourth order nonlinear equation with nonlinear boundary condition

NASA Astrophysics Data System (ADS)

Azarnavid, Babak; Parand, Kourosh; Abbasbandy, Saeid

2018-06-01

This article discusses an iterative reproducing kernel method with respect to its effectiveness and capability of solving a fourth-order boundary value problem with nonlinear boundary conditions modeling beams on elastic foundations. Since there is no method of obtaining reproducing kernel which satisfies nonlinear boundary conditions, the standard reproducing kernel methods cannot be used directly to solve boundary value problems with nonlinear boundary conditions as there is no knowledge about the existence and uniqueness of the solution. The aim of this paper is, therefore, to construct an iterative method by the use of a combination of reproducing kernel Hilbert space method and a shooting-like technique to solve the mentioned problems. Error estimation for reproducing kernel Hilbert space methods for nonlinear boundary value problems have yet to be discussed in the literature. In this paper, we present error estimation for the reproducing kernel method to solve nonlinear boundary value problems probably for the first time. Some numerical results are given out to demonstrate the applicability of the method.

Evaluation of the influence of double and triple Gaussian proton kernel models on accuracy of dose calculations for spot scanning technique.

PubMed

Hirayama, Shusuke; Takayanagi, Taisuke; Fujii, Yusuke; Fujimoto, Rintaro; Fujitaka, Shinichiro; Umezawa, Masumi; Nagamine, Yoshihiko; Hosaka, Masahiro; Yasui, Keisuke; Omachi, Chihiro; Toshito, Toshiyuki

2016-03-01

The main purpose in this study was to present the results of beam modeling and how the authors systematically investigated the influence of double and triple Gaussian proton kernel models on the accuracy of dose calculations for spot scanning technique. The accuracy of calculations was important for treatment planning software (TPS) because the energy, spot position, and absolute dose had to be determined by TPS for the spot scanning technique. The dose distribution was calculated by convolving in-air fluence with the dose kernel. The dose kernel was the in-water 3D dose distribution of an infinitesimal pencil beam and consisted of an integral depth dose (IDD) and a lateral distribution. Accurate modeling of the low-dose region was important for spot scanning technique because the dose distribution was formed by cumulating hundreds or thousands of delivered beams. The authors employed a double Gaussian function as the in-air fluence model of an individual beam. Double and triple Gaussian kernel models were also prepared for comparison. The parameters of the kernel lateral model were derived by fitting a simulated in-water lateral dose profile induced by an infinitesimal proton beam, whose emittance was zero, at various depths using Monte Carlo (MC) simulation. The fitted parameters were interpolated as a function of depth in water and stored as a separate look-up table. These stored parameters for each energy and depth in water were acquired from the look-up table when incorporating them into the TPS. The modeling process for the in-air fluence and IDD was based on the method proposed in the literature. These were derived using MC simulation and measured data. The authors compared the measured and calculated absolute doses at the center of the spread-out Bragg peak (SOBP) under various volumetric irradiation conditions to systematically investigate the influence of the two types of kernel models on the dose calculations. The authors investigated the difference between double and triple Gaussian kernel models. The authors found that the difference between the two studied kernel models appeared at mid-depths and the accuracy of predicting the double Gaussian model deteriorated at the low-dose bump that appeared at mid-depths. When the authors employed the double Gaussian kernel model, the accuracy of calculations for the absolute dose at the center of the SOBP varied with irradiation conditions and the maximum difference was 3.4%. In contrast, the results obtained from calculations with the triple Gaussian kernel model indicated good agreement with the measurements within ±1.1%, regardless of the irradiation conditions. The difference between the results obtained with the two types of studied kernel models was distinct in the high energy region. The accuracy of calculations with the double Gaussian kernel model varied with the field size and SOBP width because the accuracy of prediction with the double Gaussian model was insufficient at the low-dose bump. The evaluation was only qualitative under limited volumetric irradiation conditions. Further accumulation of measured data would be needed to quantitatively comprehend what influence the double and triple Gaussian kernel models had on the accuracy of dose calculations.

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

Anatomically-Aided PET Reconstruction Using the Kernel Method

PubMed Central

Hutchcroft, Will; Wang, Guobao; Chen, Kevin T.; Catana, Ciprian; Qi, Jinyi

2016-01-01

This paper extends the kernel method that was proposed previously for dynamic PET reconstruction, to incorporate anatomical side information into the PET reconstruction model. In contrast to existing methods that incorporate anatomical information using a penalized likelihood framework, the proposed method incorporates this information in the simpler maximum likelihood (ML) formulation and is amenable to ordered subsets. The new method also does not require any segmentation of the anatomical image to obtain edge information. We compare the kernel method with the Bowsher method for anatomically-aided PET image reconstruction through a simulated data set. Computer simulations demonstrate that the kernel method offers advantages over the Bowsher method in region of interest (ROI) quantification. Additionally the kernel method is applied to a 3D patient data set. The kernel method results in reduced noise at a matched contrast level compared with the conventional ML expectation maximization (EM) algorithm. PMID:27541810

Anatomically-aided PET reconstruction using the kernel method.

PubMed

Hutchcroft, Will; Wang, Guobao; Chen, Kevin T; Catana, Ciprian; Qi, Jinyi

2016-09-21

This paper extends the kernel method that was proposed previously for dynamic PET reconstruction, to incorporate anatomical side information into the PET reconstruction model. In contrast to existing methods that incorporate anatomical information using a penalized likelihood framework, the proposed method incorporates this information in the simpler maximum likelihood (ML) formulation and is amenable to ordered subsets. The new method also does not require any segmentation of the anatomical image to obtain edge information. We compare the kernel method with the Bowsher method for anatomically-aided PET image reconstruction through a simulated data set. Computer simulations demonstrate that the kernel method offers advantages over the Bowsher method in region of interest quantification. Additionally the kernel method is applied to a 3D patient data set. The kernel method results in reduced noise at a matched contrast level compared with the conventional ML expectation maximization algorithm.

Anatomically-aided PET reconstruction using the kernel method

NASA Astrophysics Data System (ADS)

Hutchcroft, Will; Wang, Guobao; Chen, Kevin T.; Catana, Ciprian; Qi, Jinyi

2016-09-01

This paper extends the kernel method that was proposed previously for dynamic PET reconstruction, to incorporate anatomical side information into the PET reconstruction model. In contrast to existing methods that incorporate anatomical information using a penalized likelihood framework, the proposed method incorporates this information in the simpler maximum likelihood (ML) formulation and is amenable to ordered subsets. The new method also does not require any segmentation of the anatomical image to obtain edge information. We compare the kernel method with the Bowsher method for anatomically-aided PET image reconstruction through a simulated data set. Computer simulations demonstrate that the kernel method offers advantages over the Bowsher method in region of interest quantification. Additionally the kernel method is applied to a 3D patient data set. The kernel method results in reduced noise at a matched contrast level compared with the conventional ML expectation maximization algorithm.

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…

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.

The effect of smelting time and composition of palm kernel shell charcoal reductant toward extractive Pomalaa nickel laterite ore in mini electric arc furnace

NASA Astrophysics Data System (ADS)

Sihotang, Iqbal Huda; Supriyatna, Yayat Iman; Ismail, Ika; Sulistijono

2018-04-01

Indonesia is a country that is rich in natural resources. Being a third country which has a nickel laterite ore in the world after New Caledonia and Philippines. However, the processing of nickel laterite ore to increase its levels in Indonesia is still lacking. In the processing of nickel laterite ore into metal, it can be processed by pyrometallurgy method that typically use coal as a reductant. However, coal is a non-renewable energy and have high enough levels of pollution. One potentially replace is the biomass, that is a renewable energy. Palm kernel shell are biomass that can be used as a reductant because it has a fairly high fix carbon content. This research aims to make nickel laterite ores become metal using palm kernel shell charcoal as reductant in mini electric arc furnace. The result show that the best smelting time of this research is 60 minutes with the best composition of the reductant is 2,000 gram.

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.

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.

A survey of kernel-type estimators for copula and their applications

NASA Astrophysics Data System (ADS)

Sumarjaya, I. W.

2017-10-01

Copulas have been widely used to model nonlinear dependence structure. Main applications of copulas include areas such as finance, insurance, hydrology, rainfall to name but a few. The flexibility of copula allows researchers to model dependence structure beyond Gaussian distribution. Basically, a copula is a function that couples multivariate distribution functions to their one-dimensional marginal distribution functions. In general, there are three methods to estimate copula. These are parametric, nonparametric, and semiparametric method. In this article we survey kernel-type estimators for copula such as mirror reflection kernel, beta kernel, transformation method and local likelihood transformation method. Then, we apply these kernel methods to three stock indexes in Asia. The results of our analysis suggest that, albeit variation in information criterion values, the local likelihood transformation method performs better than the other kernel methods.

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

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.

Approaches to reducing photon dose calculation errors near metal implants

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

Huang, Jessie Y.; Followill, David S.; Howell, Reb

Purpose: Dose calculation errors near metal implants are caused by limitations of the dose calculation algorithm in modeling tissue/metal interface effects as well as density assignment errors caused by imaging artifacts. The purpose of this study was to investigate two strategies for reducing dose calculation errors near metal implants: implementation of metal-based energy deposition kernels in the convolution/superposition (C/S) dose calculation method and use of metal artifact reduction methods for computed tomography (CT) imaging. Methods: Both error reduction strategies were investigated using a simple geometric slab phantom with a rectangular metal insert (composed of titanium or Cerrobend), as well asmore » two anthropomorphic phantoms (one with spinal hardware and one with dental fillings), designed to mimic relevant clinical scenarios. To assess the dosimetric impact of metal kernels, the authors implemented titanium and silver kernels in a commercial collapsed cone C/S algorithm. To assess the impact of CT metal artifact reduction methods, the authors performed dose calculations using baseline imaging techniques (uncorrected 120 kVp imaging) and three commercial metal artifact reduction methods: Philips Healthcare’s O-MAR, GE Healthcare’s monochromatic gemstone spectral imaging (GSI) using dual-energy CT, and GSI with metal artifact reduction software (MARS) applied. For the simple geometric phantom, radiochromic film was used to measure dose upstream and downstream of metal inserts. For the anthropomorphic phantoms, ion chambers and radiochromic film were used to quantify the benefit of the error reduction strategies. Results: Metal kernels did not universally improve accuracy but rather resulted in better accuracy upstream of metal implants and decreased accuracy directly downstream. For the clinical cases (spinal hardware and dental fillings), metal kernels had very little impact on the dose calculation accuracy (<1.0%). Of the commercial CT artifact reduction methods investigated, the authors found that O-MAR was the most consistent method, resulting in either improved dose calculation accuracy (dental case) or little impact on calculation accuracy (spine case). GSI was unsuccessful at reducing the severe artifacts caused by dental fillings and had very little impact on calculation accuracy. GSI with MARS on the other hand gave mixed results, sometimes introducing metal distortion and increasing calculation errors (titanium rectangular implant and titanium spinal hardware) but other times very successfully reducing artifacts (Cerrobend rectangular implant and dental fillings). Conclusions: Though successful at improving dose calculation accuracy upstream of metal implants, metal kernels were not found to substantially improve accuracy for clinical cases. Of the commercial artifact reduction methods investigated, O-MAR was found to be the most consistent candidate for all-purpose CT simulation imaging. The MARS algorithm for GSI should be used with caution for titanium implants, larger implants, and implants located near heterogeneities as it can distort the size and shape of implants and increase calculation errors.« less

Optimal projection method determination by Logdet Divergence and perturbed von-Neumann Divergence.

PubMed

Jiang, Hao; Ching, Wai-Ki; Qiu, Yushan; Cheng, Xiao-Qing

2017-12-14

Positive semi-definiteness is a critical property in kernel methods for Support Vector Machine (SVM) by which efficient solutions can be guaranteed through convex quadratic programming. However, a lot of similarity functions in applications do not produce positive semi-definite kernels. We propose projection method by constructing projection matrix on indefinite kernels. As a generalization of the spectrum method (denoising method and flipping method), the projection method shows better or comparable performance comparing to the corresponding indefinite kernel methods on a number of real world data sets. Under the Bregman matrix divergence theory, we can find suggested optimal λ in projection method using unconstrained optimization in kernel learning. In this paper we focus on optimal λ determination, in the pursuit of precise optimal λ determination method in unconstrained optimization framework. We developed a perturbed von-Neumann divergence to measure kernel relationships. We compared optimal λ determination with Logdet Divergence and perturbed von-Neumann Divergence, aiming at finding better λ in projection method. Results on a number of real world data sets show that projection method with optimal λ by Logdet divergence demonstrate near optimal performance. And the perturbed von-Neumann Divergence can help determine a relatively better optimal projection method. Projection method ia easy to use for dealing with indefinite kernels. And the parameter embedded in the method can be determined through unconstrained optimization under Bregman matrix divergence theory. This may provide a new way in kernel SVMs for varied objectives.

The spatial sensitivity of Sp converted waves-kernels and their applications

NASA Astrophysics Data System (ADS)

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

2017-12-01

We have developed a framework for improved imaging of strong lateral variations in crust and upper mantle seismic discontinuity structure using teleseismic S-to-P (Sp) scattered waves. In our framework, we rapidly compute scattered wave sensitivities to velocity perturbations in a one-dimensional background model using ray-theoretical methods to account for timing, scattering, and geometrical spreading effects. The kernels accurately describe the amplitude and phase information of a scattered waveform, which we confirm by benchmarking against kernels derived from numerical solutions of the wave equation. The kernels demonstrate that the amplitude of an Sp converted wave at a given time is sensitive to structure along a quasi-hyperbolic curve, such that structure far from the direct ray path can influence the measurements. We use synthetic datasets to explore two potential applications of the scattered wave sensitivity kernels. First, we back-project scattered energy back to its origin using the kernel adjoint operator. This approach successfully images mantle interfaces at depths of 120-180 km with up to 20 km of vertical relief over lateral distances of 100 km (i.e., undulations with a maximal 20% grade) when station spacing is 10 km. Adjacent measurements sum coherently at nodes where gradients in seismic properties occur, and destructively interfere at nodes lacking gradients. In cases where the station spacing is greater than 10 km, the destructive interference can be incomplete, and smearing along the isochrons can occur. We demonstrate, however, that model smoothing can dampen these artifacts. This method is relatively fast, and accurately retrieves the positions of the interfaces, but it generally does not retrieve the strength of the velocity perturbations. Therefore, in our second approach, we attempt to invert directly for velocity perturbations from our reference model using an iterative conjugate-directions scheme.

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.

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.

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.

Multiple kernel SVR based on the MRE for remote sensing water depth fusion detection

NASA Astrophysics Data System (ADS)

Wang, Jinjin; Ma, Yi; Zhang, Jingyu

2018-03-01

Remote sensing has an important means of water depth detection in coastal shallow waters and reefs. Support vector regression (SVR) is a machine learning method which is widely used in data regression. In this paper, SVR is used to remote sensing multispectral bathymetry. Aiming at the problem that the single-kernel SVR method has a large error in shallow water depth inversion, the mean relative error (MRE) of different water depth is retrieved as a decision fusion factor with single kernel SVR method, a multi kernel SVR fusion method based on the MRE is put forward. And taking the North Island of the Xisha Islands in China as an experimentation area, the comparison experiments with the single kernel SVR method and the traditional multi-bands bathymetric method are carried out. The results show that: 1) In range of 0 to 25 meters, the mean absolute error(MAE)of the multi kernel SVR fusion method is 1.5m,the MRE is 13.2%; 2) Compared to the 4 single kernel SVR method, the MRE of the fusion method reduced 1.2% (1.9%) 3.4% (1.8%), and compared to traditional multi-bands method, the MRE reduced 1.9%; 3) In 0-5m depth section, compared to the single kernel method and the multi-bands method, the MRE of fusion method reduced 13.5% to 44.4%, and the distribution of points is more concentrated relative to y=x.

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.

Kernel-aligned multi-view canonical correlation analysis for image recognition

NASA Astrophysics Data System (ADS)

Su, Shuzhi; Ge, Hongwei; Yuan, Yun-Hao

2016-09-01

Existing kernel-based correlation analysis methods mainly adopt a single kernel in each view. However, only a single kernel is usually insufficient to characterize nonlinear distribution information of a view. To solve the problem, we transform each original feature vector into a 2-dimensional feature matrix by means of kernel alignment, and then propose a novel kernel-aligned multi-view canonical correlation analysis (KAMCCA) method on the basis of the feature matrices. Our proposed method can simultaneously employ multiple kernels to better capture the nonlinear distribution information of each view, so that correlation features learned by KAMCCA can have well discriminating power in real-world image recognition. Extensive experiments are designed on five real-world image datasets, including NIR face images, thermal face images, visible face images, handwritten digit images, and object images. Promising experimental results on the datasets have manifested the effectiveness of our proposed method.

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.

SU-E-T-510: Calculation of High Resolution and Material-Specific Photon Energy Deposition Kernels.

PubMed

Huang, J; Childress, N; Kry, S

2012-06-01

To calculate photon energy deposition kernels (EDKs) used for convolution/superposition dose calculation at a higher resolution than the original Mackie et al. 1988 kernels and to calculate material-specific kernels that describe how energy is transported and deposited by secondary particles when the incident photon interacts in a material other than water. The high resolution EDKs for various incident photon energies were generated using the EGSnrc user-code EDKnrc, which forces incident photons to interact at the center of a 60 cm radius sphere of water. The simulation geometry is essentially the same as the original Mackie calculation but with a greater number of scoring voxels (48 radial, 144 angular bins). For the material-specific EDKs, incident photons were forced to interact at the center of a 1 mm radius sphere of material (lung, cortical bone, silver, or titanium) surrounded by a 60 cm radius water sphere, using the original scoring voxel geometry implemented by Mackie et al. 1988 (24 radial, 48 angular bins). Our Monte Carlo-calculated high resolution EDKs showed excellent agreement with the Mackie kernels, with our kernels providing more information about energy deposition close to the interaction site. Furthermore, our EDKs resulted in smoother dose deposition functions due to the finer resolution and greater number of simulation histories. The material-specific EDK results show that the angular distribution of energy deposition is different for incident photons interacting in different materials. Calculated from the angular dose distribution for 300 keV incident photons, the expected polar angle for dose deposition () is 28.6° for water, 33.3° for lung, 36.0° for cortical bone, 44.6° for titanium, and 58.1° for silver, showing a dependence on the material in which the primary photon interacts. These high resolution and material-specific EDKs have implications for convolution/superposition dose calculations in heterogeneous patient geometries, especially at material interfaces. © 2012 American Association of Physicists in Medicine.

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.

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

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.

Optimizing Irregular Applications for Energy and Performance on the Tilera Many-core Architecture

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

Chavarría-Miranda, Daniel; Panyala, Ajay R.; Halappanavar, Mahantesh

Optimizing applications simultaneously for energy and performance is a complex problem. High performance, parallel, irregular applications are notoriously hard to optimize due to their data-dependent memory accesses, lack of structured locality and complex data structures and code patterns. Irregular kernels are growing in importance in applications such as machine learning, graph analytics and combinatorial scientific computing. Performance- and energy-efficient implementation of these kernels on modern, energy efficient, multicore and many-core platforms is therefore an important and challenging problem. We present results from optimizing two irregular applications { the Louvain method for community detection (Grappolo), and high-performance conjugate gradient (HPCCG) {more » on the Tilera many-core system. We have significantly extended MIT's OpenTuner auto-tuning framework to conduct a detailed study of platform-independent and platform-specific optimizations to improve performance as well as reduce total energy consumption. We explore the optimization design space along three dimensions: memory layout schemes, compiler-based code transformations, and optimization of parallel loop schedules. Using auto-tuning, we demonstrate whole node energy savings of up to 41% relative to a baseline instantiation, and up to 31% relative to manually optimized variants.« less

Dynamic PET Image reconstruction for parametric imaging using the HYPR kernel method

NASA Astrophysics Data System (ADS)

Spencer, Benjamin; Qi, Jinyi; Badawi, Ramsey D.; Wang, Guobao

2017-03-01

Dynamic PET image reconstruction is a challenging problem because of the ill-conditioned nature of PET and the lowcounting statistics resulted from short time-frames in dynamic imaging. The kernel method for image reconstruction has been developed to improve image reconstruction of low-count PET data by incorporating prior information derived from high-count composite data. In contrast to most of the existing regularization-based methods, the kernel method embeds image prior information in the forward projection model and does not require an explicit regularization term in the reconstruction formula. Inspired by the existing highly constrained back-projection (HYPR) algorithm for dynamic PET image denoising, we propose in this work a new type of kernel that is simpler to implement and further improves the kernel-based dynamic PET image reconstruction. Our evaluation study using a physical phantom scan with synthetic FDG tracer kinetics has demonstrated that the new HYPR kernel-based reconstruction can achieve a better region-of-interest (ROI) bias versus standard deviation trade-off for dynamic PET parametric imaging than the post-reconstruction HYPR denoising method and the previously used nonlocal-means kernel.

Comparison of Kernel Equating and Item Response Theory Equating Methods

ERIC Educational Resources Information Center

Meng, Yu

2012-01-01

The kernel method of test equating is a unified approach to test equating with some advantages over traditional equating methods. Therefore, it is important to evaluate in a comprehensive way the usefulness and appropriateness of the Kernel equating (KE) method, as well as its advantages and disadvantages compared with several popular item…

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.

Gaussian mass optimization for kernel PCA parameters

NASA Astrophysics Data System (ADS)

Liu, Yong; Wang, Zulin

2011-10-01

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

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.

Cepstrum based feature extraction method for fungus detection

NASA Astrophysics Data System (ADS)

Yorulmaz, Onur; Pearson, Tom C.; Çetin, A. Enis

2011-06-01

In this paper, a method for detection of popcorn kernels infected by a fungus is developed using image processing. The method is based on two dimensional (2D) mel and Mellin-cepstrum computation from popcorn kernel images. Cepstral features that were extracted from popcorn images are classified using Support Vector Machines (SVM). Experimental results show that high recognition rates of up to 93.93% can be achieved for both damaged and healthy popcorn kernels using 2D mel-cepstrum. The success rate for healthy popcorn kernels was found to be 97.41% and the recognition rate for damaged kernels was found to be 89.43%.

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.

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.

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.

Experimental study of turbulent flame kernel propagation

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

Mansour, Mohy; Peters, Norbert; Schrader, Lars-Uve

2008-07-15

Flame kernels in spark ignited combustion systems dominate the flame propagation and combustion stability and performance. They are likely controlled by the spark energy, flow field and mixing field. The aim of the present work is to experimentally investigate the structure and propagation of the flame kernel in turbulent premixed methane flow using advanced laser-based techniques. The spark is generated using pulsed Nd:YAG laser with 20 mJ pulse energy in order to avoid the effect of the electrodes on the flame kernel structure and the variation of spark energy from shot-to-shot. Four flames have been investigated at equivalence ratios, {phi}{submore » j}, of 0.8 and 1.0 and jet velocities, U{sub j}, of 6 and 12 m/s. A combined two-dimensional Rayleigh and LIPF-OH technique has been applied. The flame kernel structure has been collected at several time intervals from the laser ignition between 10 {mu}s and 2 ms. The data show that the flame kernel structure starts with spherical shape and changes gradually to peanut-like, then to mushroom-like and finally disturbed by the turbulence. The mushroom-like structure lasts longer in the stoichiometric and slower jet velocity. The growth rate of the average flame kernel radius is divided into two linear relations; the first one during the first 100 {mu}s is almost three times faster than that at the later stage between 100 and 2000 {mu}s. The flame propagation is slightly faster in leaner flames. The trends of the flame propagation, flame radius, flame cross-sectional area and mean flame temperature are related to the jet velocity and equivalence ratio. The relations obtained in the present work allow the prediction of any of these parameters at different conditions. (author)« less

LoCoH: Non-parameteric kernel methods for constructing home ranges and utilization distributions

USGS Publications Warehouse

Getz, Wayne M.; Fortmann-Roe, Scott; Cross, Paul C.; Lyons, Andrew J.; Ryan, Sadie J.; Wilmers, Christopher C.

2007-01-01

Parametric kernel methods currently dominate the literature regarding the construction of animal home ranges (HRs) and utilization distributions (UDs). These methods frequently fail to capture the kinds of hard boundaries common to many natural systems. Recently a local convex hull (LoCoH) nonparametric kernel method, which generalizes the minimum convex polygon (MCP) method, was shown to be more appropriate than parametric kernel methods for constructing HRs and UDs, because of its ability to identify hard boundaries (e.g., rivers, cliff edges) and convergence to the true distribution as sample size increases. Here we extend the LoCoH in two ways: ‘‘fixed sphere-of-influence,’’ or r -LoCoH (kernels constructed from all points within a fixed radius r of each reference point), and an ‘‘adaptive sphere-of-influence,’’ or a -LoCoH (kernels constructed from all points within a radius a such that the distances of all points within the radius to the reference point sum to a value less than or equal to a ), and compare them to the original ‘‘fixed-number-of-points,’’ or k -LoCoH (all kernels constructed from k -1 nearest neighbors of root points). We also compare these nonparametric LoCoH to parametric kernel methods using manufactured data and data collected from GPS collars on African buffalo in the Kruger National Park, South Africa. Our results demonstrate that LoCoH methods are superior to parametric kernel methods in estimating areas used by animals, excluding unused areas (holes) and, generally, in constructing UDs and HRs arising from the movement of animals influenced by hard boundaries and irregular structures (e.g., rocky outcrops). We also demonstrate that a -LoCoH is generally superior to k - and r -LoCoH (with software for all three methods available at http://locoh.cnr.berkeley.edu).

Towards smart energy systems: application of kernel machine regression for medium term electricity load forecasting.

PubMed

Alamaniotis, Miltiadis; Bargiotas, Dimitrios; Tsoukalas, Lefteri H

2016-01-01

Integration of energy systems with information technologies has facilitated the realization of smart energy systems that utilize information to optimize system operation. To that end, crucial in optimizing energy system operation is the accurate, ahead-of-time forecasting of load demand. In particular, load forecasting allows planning of system expansion, and decision making for enhancing system safety and reliability. In this paper, the application of two types of kernel machines for medium term load forecasting (MTLF) is presented and their performance is recorded based on a set of historical electricity load demand data. The two kernel machine models and more specifically Gaussian process regression (GPR) and relevance vector regression (RVR) are utilized for making predictions over future load demand. Both models, i.e., GPR and RVR, are equipped with a Gaussian kernel and are tested on daily predictions for a 30-day-ahead horizon taken from the New England Area. Furthermore, their performance is compared to the ARMA(2,2) model with respect to mean average percentage error and squared correlation coefficient. Results demonstrate the superiority of RVR over the other forecasting models in performing MTLF.

Development of a single kernel analysis method for detection of 2-acetyl-1-pyrroline in aromatic rice germplasm

USDA-ARS?s Scientific Manuscript database

Solid-phase microextraction (SPME) in conjunction with GC/MS was used to distinguish non-aromatic rice (Oryza sativa, L.) kernels from aromatic rice kernels. In this method, single kernels along with 10 µl of 0.1 ng 2,4,6-Trimethylpyridine (TMP) were placed in sealed vials and heated to 80oC for 18...

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.

A Comparative Study of Pairwise Learning Methods Based on Kernel Ridge Regression.

PubMed

Stock, Michiel; Pahikkala, Tapio; Airola, Antti; De Baets, Bernard; Waegeman, Willem

2018-06-12

Many machine learning problems can be formulated as predicting labels for a pair of objects. Problems of that kind are often referred to as pairwise learning, dyadic prediction, or network inference problems. During the past decade, kernel methods have played a dominant role in pairwise learning. They still obtain a state-of-the-art predictive performance, but a theoretical analysis of their behavior has been underexplored in the machine learning literature. In this work we review and unify kernel-based algorithms that are commonly used in different pairwise learning settings, ranging from matrix filtering to zero-shot learning. To this end, we focus on closed-form efficient instantiations of Kronecker kernel ridge regression. We show that independent task kernel ridge regression, two-step kernel ridge regression, and a linear matrix filter arise naturally as a special case of Kronecker kernel ridge regression, implying that all these methods implicitly minimize a squared loss. In addition, we analyze universality, consistency, and spectral filtering properties. Our theoretical results provide valuable insights into assessing the advantages and limitations of existing pairwise learning methods.

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.

Effective Alternating Direction Optimization Methods for Sparsity-Constrained Blind Image Deblurring.

PubMed

Xiong, Naixue; Liu, Ryan Wen; Liang, Maohan; Wu, Di; Liu, Zhao; Wu, Huisi

2017-01-18

Single-image blind deblurring for imaging sensors in the Internet of Things (IoT) is a challenging ill-conditioned inverse problem, which requires regularization techniques to stabilize the image restoration process. The purpose is to recover the underlying blur kernel and latent sharp image from only one blurred image. Under many degraded imaging conditions, the blur kernel could be considered not only spatially sparse, but also piecewise smooth with the support of a continuous curve. By taking advantage of the hybrid sparse properties of the blur kernel, a hybrid regularization method is proposed in this paper to robustly and accurately estimate the blur kernel. The effectiveness of the proposed blur kernel estimation method is enhanced by incorporating both the L 1 -norm of kernel intensity and the squared L 2 -norm of the intensity derivative. Once the accurate estimation of the blur kernel is obtained, the original blind deblurring can be simplified to the direct deconvolution of blurred images. To guarantee robust non-blind deconvolution, a variational image restoration model is presented based on the L 1 -norm data-fidelity term and the total generalized variation (TGV) regularizer of second-order. All non-smooth optimization problems related to blur kernel estimation and non-blind deconvolution are effectively handled by using the alternating direction method of multipliers (ADMM)-based numerical methods. Comprehensive experiments on both synthetic and realistic datasets have been implemented to compare the proposed method with several state-of-the-art methods. The experimental comparisons have illustrated the satisfactory imaging performance of the proposed method in terms of quantitative and qualitative evaluations.

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.

Finite-frequency sensitivity kernels for global seismic wave propagation based upon adjoint methods

NASA Astrophysics Data System (ADS)

Liu, Qinya; Tromp, Jeroen

2008-07-01

We determine adjoint equations and Fréchet kernels for global seismic wave propagation based upon a Lagrange multiplier method. We start from the equations of motion for a rotating, self-gravitating earth model initially in hydrostatic equilibrium, and derive the corresponding adjoint equations that involve motions on an earth model that rotates in the opposite direction. Variations in the misfit function χ then may be expressed as , where δlnm = δm/m denotes relative model perturbations in the volume V, δlnd denotes relative topographic variations on solid-solid or fluid-solid boundaries Σ, and ∇Σδlnd denotes surface gradients in relative topographic variations on fluid-solid boundaries ΣFS. The 3-D Fréchet kernel Km determines the sensitivity to model perturbations δlnm, and the 2-D kernels Kd and Kd determine the sensitivity to topographic variations δlnd. We demonstrate also how anelasticity may be incorporated within the framework of adjoint methods. Finite-frequency sensitivity kernels are calculated by simultaneously computing the adjoint wavefield forward in time and reconstructing the regular wavefield backward in time. Both the forward and adjoint simulations are based upon a spectral-element method. We apply the adjoint technique to generate finite-frequency traveltime kernels for global seismic phases (P, Pdiff, PKP, S, SKS, depth phases, surface-reflected phases, surface waves, etc.) in both 1-D and 3-D earth models. For 1-D models these adjoint-generated kernels generally agree well with results obtained from ray-based methods. However, adjoint methods do not have the same theoretical limitations as ray-based methods, and can produce sensitivity kernels for any given phase in any 3-D earth model. The Fréchet kernels presented in this paper illustrate the sensitivity of seismic observations to structural parameters and topography on internal discontinuities. These kernels form the basis of future 3-D tomographic inversions.

Noise kernels of stochastic gravity in conformally-flat spacetimes

NASA Astrophysics Data System (ADS)

Cho, H. T.; Hu, B. L.

2015-03-01

The central object in the theory of semiclassical stochastic gravity is the noise kernel, which is the symmetric two point correlation function of the stress-energy tensor. Using the corresponding Wightman functions in Minkowski, Einstein and open Einstein spaces, we construct the noise kernels of a conformally coupled scalar field in these spacetimes. From them we show that the noise kernels in conformally-flat spacetimes, including the Friedmann-Robertson-Walker universes, can be obtained in closed analytic forms by using a combination of conformal and coordinate transformations.

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.

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.

Genomic similarity and kernel methods I: advancements by building on mathematical and statistical foundations.

PubMed

Schaid, Daniel J

2010-01-01

Measures of genomic similarity are the basis of many statistical analytic methods. We review the mathematical and statistical basis of similarity methods, particularly based on kernel methods. A kernel function converts information for a pair of subjects to a quantitative value representing either similarity (larger values meaning more similar) or distance (smaller values meaning more similar), with the requirement that it must create a positive semidefinite matrix when applied to all pairs of subjects. This review emphasizes the wide range of statistical methods and software that can be used when similarity is based on kernel methods, such as nonparametric regression, linear mixed models and generalized linear mixed models, hierarchical models, score statistics, and support vector machines. The mathematical rigor for these methods is summarized, as is the mathematical framework for making kernels. This review provides a framework to move from intuitive and heuristic approaches to define genomic similarities to more rigorous methods that can take advantage of powerful statistical modeling and existing software. A companion paper reviews novel approaches to creating kernels that might be useful for genomic analyses, providing insights with examples [1]. Copyright © 2010 S. Karger AG, Basel.

Skyshine line-beam response functions for 20- to 100-MeV photons

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

Brockhoff, R.C.; Shultis, J.K.; Faw, R.E.

1996-06-01

The line-beam response function, needed for skyshine analyses based on the integral line-beam method, was evaluated with the MCNP Monte Carlo code for photon energies from 20 to 100 MeV and for source-to-detector distances out to 1,000 m. These results are compared with point-kernel results, and the effects of bremsstrahlung and positron transport in the air are found to be important in this energy range. The three-parameter empirical formula used in the integral line-beam skyshine method was fit to the MCNP results, and values of these parameters are reported for various source energies and angles.

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.

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.

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.

Optimisation of quantitative lung SPECT applied to mild COPD: a software phantom simulation study.

PubMed

Norberg, Pernilla; Olsson, Anna; Alm Carlsson, Gudrun; Sandborg, Michael; Gustafsson, Agnetha

2015-01-01

The amount of inhomogeneities in a (99m)Tc Technegas single-photon emission computed tomography (SPECT) lung image, caused by reduced ventilation in lung regions affected by chronic obstructive pulmonary disease (COPD), is correlated to disease advancement. A quantitative analysis method, the CVT method, measuring these inhomogeneities was proposed in earlier work. To detect mild COPD, which is a difficult task, optimised parameter values are needed. In this work, the CVT method was optimised with respect to the parameter values of acquisition, reconstruction and analysis. The ordered subset expectation maximisation (OSEM) algorithm was used for reconstructing the lung SPECT images. As a first step towards clinical application of the CVT method in detecting mild COPD, this study was based on simulated SPECT images of an advanced anthropomorphic lung software phantom including respiratory and cardiac motion, where the mild COPD lung had an overall ventilation reduction of 5%. The best separation between healthy and mild COPD lung images as determined using the CVT measure of ventilation inhomogeneity and 125 MBq (99m)Tc was obtained using a low-energy high-resolution collimator (LEHR) and a power 6 Butterworth post-filter with a cutoff frequency of 0.6 to 0.7 cm(-1). Sixty-four reconstruction updates and a small kernel size should be used when the whole lung is analysed, and for the reduced lung a greater number of updates and a larger kernel size are needed. A LEHR collimator and 125 (99m)Tc MBq together with an optimal combination of cutoff frequency, number of updates and kernel size, gave the best result. Suboptimal selections of either cutoff frequency, number of updates and kernel size will reduce the imaging system's ability to detect mild COPD in the lung phantom.

Local coding based matching kernel method for image classification.

PubMed

Song, Yan; McLoughlin, Ian Vince; Dai, Li-Rong

2014-01-01

This paper mainly focuses on how to effectively and efficiently measure visual similarity for local feature based representation. Among existing methods, metrics based on Bag of Visual Word (BoV) techniques are efficient and conceptually simple, at the expense of effectiveness. By contrast, kernel based metrics are more effective, but at the cost of greater computational complexity and increased storage requirements. We show that a unified visual matching framework can be developed to encompass both BoV and kernel based metrics, in which local kernel plays an important role between feature pairs or between features and their reconstruction. Generally, local kernels are defined using Euclidean distance or its derivatives, based either explicitly or implicitly on an assumption of Gaussian noise. However, local features such as SIFT and HoG often follow a heavy-tailed distribution which tends to undermine the motivation behind Euclidean metrics. Motivated by recent advances in feature coding techniques, a novel efficient local coding based matching kernel (LCMK) method is proposed. This exploits the manifold structures in Hilbert space derived from local kernels. The proposed method combines advantages of both BoV and kernel based metrics, and achieves a linear computational complexity. This enables efficient and scalable visual matching to be performed on large scale image sets. To evaluate the effectiveness of the proposed LCMK method, we conduct extensive experiments with widely used benchmark datasets, including 15-Scenes, Caltech101/256, PASCAL VOC 2007 and 2011 datasets. Experimental results confirm the effectiveness of the relatively efficient LCMK method.

Integrating semantic information into multiple kernels for protein-protein interaction extraction from biomedical literatures.

PubMed

Li, Lishuang; Zhang, Panpan; Zheng, Tianfu; Zhang, Hongying; Jiang, Zhenchao; Huang, Degen

2014-01-01

Protein-Protein Interaction (PPI) extraction is an important task in the biomedical information extraction. Presently, many machine learning methods for PPI extraction have achieved promising results. However, the performance is still not satisfactory. One reason is that the semantic resources were basically ignored. In this paper, we propose a multiple-kernel learning-based approach to extract PPIs, combining the feature-based kernel, tree kernel and semantic kernel. Particularly, we extend the shortest path-enclosed tree kernel (SPT) by a dynamic extended strategy to retrieve the richer syntactic information. Our semantic kernel calculates the protein-protein pair similarity and the context similarity based on two semantic resources: WordNet and Medical Subject Heading (MeSH). We evaluate our method with Support Vector Machine (SVM) and achieve an F-score of 69.40% and an AUC of 92.00%, which show that our method outperforms most of the state-of-the-art systems by integrating semantic information.

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.

Improvements to the kernel function method of steady, subsonic lifting surface theory

NASA Technical Reports Server (NTRS)

Medan, R. T.

1974-01-01

The application of a kernel function lifting surface method to three dimensional, thin wing theory is discussed. A technique for determining the influence functions is presented. The technique is shown to require fewer quadrature points, while still calculating the influence functions accurately enough to guarantee convergence with an increasing number of spanwise quadrature points. The method also treats control points on the wing leading and trailing edges. The report introduces and employs an aspect of the kernel function method which apparently has never been used before and which significantly enhances the efficiency of the kernel function approach.

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.

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.

Fredholm-Volterra Integral Equation with a Generalized Singular Kernel and its Numerical Solutions

NASA Astrophysics Data System (ADS)

El-Kalla, I. L.; Al-Bugami, A. M.

2010-11-01

In this paper, the existence and uniqueness of solution of the Fredholm-Volterra integral equation (F-VIE), with a generalized singular kernel, are discussed and proved in the spaceL2(Ω)×C(0,T). The Fredholm integral term (FIT) is considered in position while the Volterra integral term (VIT) is considered in time. Using a numerical technique we have a system of Fredholm integral equations (SFIEs). This system of integral equations can be reduced to a linear algebraic system (LAS) of equations by using two different methods. These methods are: Toeplitz matrix method and Product Nyström method. A numerical examples are considered when the generalized kernel takes the following forms: Carleman function, logarithmic form, Cauchy kernel, and Hilbert kernel.

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.

The construction of a two-dimensional reproducing kernel function and its application in a biomedical model.

PubMed

Guo, Qi; Shen, Shu-Ting

2016-04-29

There are two major classes of cardiac tissue models: the ionic model and the FitzHugh-Nagumo model. During computer simulation, each model entails solving a system of complex ordinary differential equations and a partial differential equation with non-flux boundary conditions. The reproducing kernel method possesses significant applications in solving partial differential equations. The derivative of the reproducing kernel function is a wavelet function, which has local properties and sensitivities to singularity. Therefore, study on the application of reproducing kernel would be advantageous. Applying new mathematical theory to the numerical solution of the ventricular muscle model so as to improve its precision in comparison with other methods at present. A two-dimensional reproducing kernel function inspace is constructed and applied in computing the solution of two-dimensional cardiac tissue model by means of the difference method through time and the reproducing kernel method through space. Compared with other methods, this method holds several advantages such as high accuracy in computing solutions, insensitivity to different time steps and a slow propagation speed of error. It is suitable for disorderly scattered node systems without meshing, and can arbitrarily change the location and density of the solution on different time layers. The reproducing kernel method has higher solution accuracy and stability in the solutions of the two-dimensional cardiac tissue model.

An Evaluation of Kernel Equating: Parallel Equating with Classical Methods in the SAT Subject Tests[TM] Program. Research Report. ETS RR-09-06

ERIC Educational Resources Information Center

Grant, Mary C.; Zhang, Lilly; Damiano, Michele

2009-01-01

This study investigated kernel equating methods by comparing these methods to operational equatings for two tests in the SAT Subject Tests[TM] program. GENASYS (ETS, 2007) was used for all equating methods and scaled score kernel equating results were compared to Tucker, Levine observed score, chained linear, and chained equipercentile equating…

Non-parametric wall model and methods of identifying boundary conditions for moments in gas flow equations

NASA Astrophysics Data System (ADS)

Liao, Meng; To, Quy-Dong; Léonard, Céline; Monchiet, Vincent

2018-03-01

In this paper, we use the molecular dynamics simulation method to study gas-wall boundary conditions. Discrete scattering information of gas molecules at the wall surface is obtained from collision simulations. The collision data can be used to identify the accommodation coefficients for parametric wall models such as Maxwell and Cercignani-Lampis scattering kernels. Since these scattering kernels are based on a limited number of accommodation coefficients, we adopt non-parametric statistical methods to construct the kernel to overcome these issues. Different from parametric kernels, the non-parametric kernels require no parameter (i.e. accommodation coefficients) and no predefined distribution. We also propose approaches to derive directly the Navier friction and Kapitza thermal resistance coefficients as well as other interface coefficients associated with moment equations from the non-parametric kernels. The methods are applied successfully to systems composed of CH4 or CO2 and graphite, which are of interest to the petroleum industry.

Novel images extraction model using improved delay vector variance feature extraction and multi-kernel neural network for EEG detection and prediction.

PubMed

Ge, Jing; Zhang, Guoping

2015-01-01

Advanced intelligent methodologies could help detect and predict diseases from the EEG signals in cases the manual analysis is inefficient available, for instance, the epileptic seizures detection and prediction. This is because the diversity and the evolution of the epileptic seizures make it very difficult in detecting and identifying the undergoing disease. Fortunately, the determinism and nonlinearity in a time series could characterize the state changes. Literature review indicates that the Delay Vector Variance (DVV) could examine the nonlinearity to gain insight into the EEG signals but very limited work has been done to address the quantitative DVV approach. Hence, the outcomes of the quantitative DVV should be evaluated to detect the epileptic seizures. To develop a new epileptic seizure detection method based on quantitative DVV. This new epileptic seizure detection method employed an improved delay vector variance (IDVV) to extract the nonlinearity value as a distinct feature. Then a multi-kernel functions strategy was proposed in the extreme learning machine (ELM) network to provide precise disease detection and prediction. The nonlinearity is more sensitive than the energy and entropy. 87.5% overall accuracy of recognition and 75.0% overall accuracy of forecasting were achieved. The proposed IDVV and multi-kernel ELM based method was feasible and effective for epileptic EEG detection. Hence, the newly proposed method has importance for practical applications.

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.

Prioritizing individual genetic variants after kernel machine testing using variable selection.

PubMed

He, Qianchuan; Cai, Tianxi; Liu, Yang; Zhao, Ni; Harmon, Quaker E; Almli, Lynn M; Binder, Elisabeth B; Engel, Stephanie M; Ressler, Kerry J; Conneely, Karen N; Lin, Xihong; Wu, Michael C

2016-12-01

Kernel machine learning methods, such as the SNP-set kernel association test (SKAT), have been widely used to test associations between traits and genetic polymorphisms. In contrast to traditional single-SNP analysis methods, these methods are designed to examine the joint effect of a set of related SNPs (such as a group of SNPs within a gene or a pathway) and are able to identify sets of SNPs that are associated with the trait of interest. However, as with many multi-SNP testing approaches, kernel machine testing can draw conclusion only at the SNP-set level, and does not directly inform on which one(s) of the identified SNP set is actually driving the associations. A recently proposed procedure, KerNel Iterative Feature Extraction (KNIFE), provides a general framework for incorporating variable selection into kernel machine methods. In this article, we focus on quantitative traits and relatively common SNPs, and adapt the KNIFE procedure to genetic association studies and propose an approach to identify driver SNPs after the application of SKAT to gene set analysis. Our approach accommodates several kernels that are widely used in SNP analysis, such as the linear kernel and the Identity by State (IBS) kernel. The proposed approach provides practically useful utilities to prioritize SNPs, and fills the gap between SNP set analysis and biological functional studies. Both simulation studies and real data application are used to demonstrate the proposed approach. © 2016 WILEY PERIODICALS, INC.

Laser Ignition Technology for Bi-Propellant Rocket Engine Applications

NASA Technical Reports Server (NTRS)

Thomas, Matthew E.; Bossard, John A.; Early, Jim; Trinh, Huu; Dennis, Jay; Turner, James (Technical Monitor)

2001-01-01

The fiber optically coupled laser ignition approach summarized is under consideration for use in igniting bi-propellant rocket thrust chambers. This laser ignition approach is based on a novel dual pulse format capable of effectively increasing laser generated plasma life times up to 1000 % over conventional laser ignition methods. In the dual-pulse format tinder consideration here an initial laser pulse is used to generate a small plasma kernel. A second laser pulse that effectively irradiates the plasma kernel follows this pulse. Energy transfer into the kernel is much more efficient because of its absorption characteristics thereby allowing the kernel to develop into a much more effective ignition source for subsequent combustion processes. In this research effort both single and dual-pulse formats were evaluated in a small testbed rocket thrust chamber. The rocket chamber was designed to evaluate several bipropellant combinations. Optical access to the chamber was provided through small sapphire windows. Test results from gaseous oxygen (GOx) and RP-1 propellants are presented here. Several variables were evaluated during the test program, including spark location, pulse timing, and relative pulse energy. These variables were evaluated in an effort to identify the conditions in which laser ignition of bi-propellants is feasible. Preliminary results and analysis indicate that this laser ignition approach may provide superior ignition performance relative to squib and torch igniters, while simultaneously eliminating some of the logistical issues associated with these systems. Further research focused on enhancing the system robustness, multiplexing, and window durability/cleaning and fiber optic enhancements is in progress.

An Ensemble Approach to Building Mercer Kernels with Prior Information

NASA Technical Reports Server (NTRS)

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

2005-01-01

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 dimensional feature space. we describe a new method called Mixture Density Mercer Kernels to learn kernel function directly from data, rather than using pre-defined kernels. These data adaptive kernels can encode prior knowledge in the kernel using a Bayesian formulation, thus allowing for physical information to be encoded in the model. Specifically, we demonstrate the use of the algorithm in situations with extremely small samples of data. We compare the results with existing algorithms on data from the Sloan Digital Sky Survey (SDSS) and demonstrate the method's superior performance against standard methods. 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 templates 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.

Spectral decomposition of seismic data with reassigned smoothed pseudo Wigner-Ville distribution

NASA Astrophysics Data System (ADS)

Wu, Xiaoyang; Liu, Tianyou

2009-07-01

Seismic signals are nonstationary mainly due to absorption and attenuation of seismic energy in strata. Referring to spectral decomposition of seismic data, the conventional method using short-time Fourier transform (STFT) limits temporal and spectral resolution by a predefined window length. Continuous-wavelet transform (CWT) uses dilation and translation of a wavelet to produce a time-scale map. However, the wavelets utilized should be orthogonal in order to obtain a satisfactory resolution. The less applied, Wigner-Ville distribution (WVD) being superior in energy distribution concentration, is confronted with cross-terms interference (CTI) when signals are multi-component. In order to reduce the impact of CTI, Cohen class uses kernel function as low-pass filter. Nevertheless it also weakens energy concentration of auto-terms. In this paper, we employ smoothed pseudo Wigner-Ville distribution (SPWVD) with Gauss kernel function to reduce CTI in time and frequency domain, then reassign values of SPWVD (called reassigned SPWVD) according to the center of gravity of the considering energy region so that distribution concentration is maintained simultaneously. We conduct the method above on a multi-component synthetic seismic record and compare with STFT and CWT spectra. Two field examples reveal that RSPWVD potentially can be applied to detect low-frequency shadows caused by hydrocarbons and to delineate the space distribution of abnormal geological body more precisely.

A Classification of Remote Sensing Image Based on Improved Compound Kernels of Svm

NASA Astrophysics Data System (ADS)

Zhao, Jianing; Gao, Wanlin; Liu, Zili; Mou, Guifen; Lu, Lin; Yu, Lina

The accuracy of RS classification based on SVM which is developed from statistical learning theory is high under small number of train samples, which results in satisfaction of classification on RS using SVM methods. The traditional RS classification method combines visual interpretation with computer classification. The accuracy of the RS classification, however, is improved a lot based on SVM method, because it saves much labor and time which is used to interpret images and collect training samples. Kernel functions play an important part in the SVM algorithm. It uses improved compound kernel function and therefore has a higher accuracy of classification on RS images. Moreover, compound kernel improves the generalization and learning ability of the kernel.

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.

Improving the Bandwidth Selection in Kernel Equating

ERIC Educational Resources Information Center

Andersson, Björn; von Davier, Alina A.

2014-01-01

We investigate the current bandwidth selection methods in kernel equating and propose a method based on Silverman's rule of thumb for selecting the bandwidth parameters. In kernel equating, the bandwidth parameters have previously been obtained by minimizing a penalty function. This minimization process has been criticized by practitioners…

Norm overlap between many-body states: Uncorrelated overlap between arbitrary Bogoliubov product states

NASA Astrophysics Data System (ADS)

Bally, B.; Duguet, T.

2018-02-01

Background: State-of-the-art multi-reference energy density functional calculations require the computation of norm overlaps between different Bogoliubov quasiparticle many-body states. It is only recently that the efficient and unambiguous calculation of such norm kernels has become available under the form of Pfaffians [L. M. Robledo, Phys. Rev. C 79, 021302 (2009), 10.1103/PhysRevC.79.021302]. Recently developed particle-number-restored Bogoliubov coupled-cluster (PNR-BCC) and particle-number-restored Bogoliubov many-body perturbation (PNR-BMBPT) ab initio theories [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] make use of generalized norm kernels incorporating explicit many-body correlations. In PNR-BCC and PNR-BMBPT, the Bogoliubov states involved in the norm kernels differ specifically via a global gauge rotation. Purpose: The goal of this work is threefold. We wish (i) to propose and implement an alternative to the Pfaffian method to compute unambiguously the norm overlap between arbitrary Bogoliubov quasiparticle states, (ii) to extend the first point to explicitly correlated norm kernels, and (iii) to scrutinize the analytical content of the correlated norm kernels employed in PNR-BMBPT. Point (i) constitutes the purpose of the present paper while points (ii) and (iii) are addressed in a forthcoming paper. Methods: We generalize the method used in another work [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] in such a way that it is applicable to kernels involving arbitrary pairs of Bogoliubov states. The formalism is presently explicated in detail in the case of the uncorrelated overlap between arbitrary Bogoliubov states. The power of the method is numerically illustrated and benchmarked against known results on the basis of toy models of increasing complexity. Results: The norm overlap between arbitrary Bogoliubov product states is obtained under a closed-form expression allowing its computation without any phase ambiguity. The formula is physically intuitive, accurate, and versatile. It equally applies to norm overlaps between Bogoliubov states of even or odd number parity. Numerical applications illustrate these features and provide a transparent representation of the content of the norm overlaps. Conclusions: The complex norm overlap between arbitrary Bogoliubov states is computed, without any phase ambiguity, via elementary linear algebra operations. The method can be used in any configuration mixing of orthogonal and non-orthogonal product states. Furthermore, the closed-form expression extends naturally to correlated overlaps at play in PNR-BCC and PNR-BMBPT. As such, the straight overlap between Bogoliubov states is the zero-order reduction of more involved norm kernels to be studied in a forthcoming paper.

Antioxidant and antimicrobial activities of bitter and sweet apricot (Prunus armeniaca L.) kernels.

PubMed

Yiğit, D; Yiğit, N; Mavi, A

2009-04-01

The present study describes the in vitro antimicrobial and antioxidant activity of methanol and water extracts of sweet and bitter apricot (Prunus armeniaca L.) kernels. The antioxidant properties of apricot kernels were evaluated by determining radical scavenging power, lipid peroxidation inhibition activity and total phenol content measured with a DPPH test, the thiocyanate method and the Folin method, respectively. In contrast to extracts of the bitter kernels, both the water and methanol extracts of sweet kernels have antioxidant potential. The highest percent inhibition of lipid peroxidation (69%) and total phenolic content (7.9 +/- 0.2 microg/mL) were detected in the methanol extract of sweet kernels (Hasanbey) and in the water extract of the same cultivar, respectively. The antimicrobial activities of the above extracts were also tested against human pathogenic microorganisms using a disc-diffusion method, and the minimal inhibitory concentration (MIC) values of each active extract were determined. The most effective antibacterial activity was observed in the methanol and water extracts of bitter kernels and in the methanol extract of sweet kernels against the Gram-positive bacteria Staphylococcus aureus. Additionally, the methanol extracts of the bitter kernels were very potent against the Gram-negative bacteria Escherichia coli (0.312 mg/mL MIC value). Significant anti-candida activity was also observed with the methanol extract of bitter apricot kernels against Candida albicans, consisting of a 14 mm in diameter of inhibition zone and a 0.625 mg/mL MIC value.

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.

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.

Scatter correction for cone-beam computed tomography using self-adaptive scatter kernel superposition

NASA Astrophysics Data System (ADS)

Xie, Shi-Peng; Luo, Li-Min

2012-06-01

The authors propose a combined scatter reduction and correction method to improve image quality in cone beam computed tomography (CBCT). The scatter kernel superposition (SKS) method has been used occasionally in previous studies. However, this method differs in that a scatter detecting blocker (SDB) was used between the X-ray source and the tested object to model the self-adaptive scatter kernel. This study first evaluates the scatter kernel parameters using the SDB, and then isolates the scatter distribution based on the SKS. The quality of image can be improved by removing the scatter distribution. The results show that the method can effectively reduce the scatter artifacts, and increase the image quality. Our approach increases the image contrast and reduces the magnitude of cupping. The accuracy of the SKS technique can be significantly improved in our method by using a self-adaptive scatter kernel. This method is computationally efficient, easy to implement, and provides scatter correction using a single scan acquisition.

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.

Gaussian processes with optimal kernel construction for neuro-degenerative clinical onset prediction

NASA Astrophysics Data System (ADS)

Canas, Liane S.; Yvernault, Benjamin; Cash, David M.; Molteni, Erika; Veale, Tom; Benzinger, Tammie; Ourselin, Sébastien; Mead, Simon; Modat, Marc

2018-02-01

Gaussian Processes (GP) are a powerful tool to capture the complex time-variations of a dataset. In the context of medical imaging analysis, they allow a robust modelling even in case of highly uncertain or incomplete datasets. Predictions from GP are dependent of the covariance kernel function selected to explain the data variance. To overcome this limitation, we propose a framework to identify the optimal covariance kernel function to model the data.The optimal kernel is defined as a composition of base kernel functions used to identify correlation patterns between data points. Our approach includes a modified version of the Compositional Kernel Learning (CKL) algorithm, in which we score the kernel families using a new energy function that depends both the Bayesian Information Criterion (BIC) and the explained variance score. We applied the proposed framework to model the progression of neurodegenerative diseases over time, in particular the progression of autosomal dominantly-inherited Alzheimer's disease, and use it to predict the time to clinical onset of subjects carrying genetic mutation.

Achillea millefolium L. extract mediated green synthesis of waste peach kernel shell supported silver nanoparticles: Application of the nanoparticles for catalytic reduction of a variety of dyes in water.

PubMed

Khodadadi, Bahar; Bordbar, Maryam; Nasrollahzadeh, Mahmoud

2017-05-01

In this paper, silver nanoparticles (Ag NPs) are synthesized using Achillea millefolium L. extract as reducing and stabilizing agents and peach kernel shell as an environmentally benign support. FT-IR spectroscopy, UV-Vis spectroscopy, X-ray Diffraction (XRD), Field emission scanning electron microscopy (FESEM), Energy Dispersive X-ray Spectroscopy (EDS), Thermo gravimetric-differential thermal analysis (TG-DTA) and Transmission Electron Microscopy (TEM) were used to characterize peach kernel shell, Ag NPs, and Ag NPs/peach kernel shell. The catalytic activity of the Ag NPs/peach kernel shell was investigated for the reduction of 4-nitrophenol (4-NP), Methyl Orange (MO), and Methylene Blue (MB) at room temperature. Ag NPs/peach kernel shell was found to be a highly active catalyst. In addition, Ag NPs/peach kernel shell can be recovered and reused several times with no significant loss of its catalytic activity. Copyright © 2017 Elsevier Inc. All rights reserved.

Deep kernel learning method for SAR image target recognition

NASA Astrophysics Data System (ADS)

Chen, Xiuyuan; Peng, Xiyuan; Duan, Ran; Li, Junbao

2017-10-01

With the development of deep learning, research on image target recognition has made great progress in recent years. Remote sensing detection urgently requires target recognition for military, geographic, and other scientific research. This paper aims to solve the synthetic aperture radar image target recognition problem by combining deep and kernel learning. The model, which has a multilayer multiple kernel structure, is optimized layer by layer with the parameters of Support Vector Machine and a gradient descent algorithm. This new deep kernel learning method improves accuracy and achieves competitive recognition results compared with other learning methods.

Searching Remote Homology with Spectral Clustering with Symmetry in Neighborhood Cluster Kernels

PubMed Central

Maulik, Ujjwal; Sarkar, Anasua

2013-01-01

Remote homology detection among proteins utilizing only the unlabelled sequences is a central problem in comparative genomics. The existing cluster kernel methods based on neighborhoods and profiles and the Markov clustering algorithms are currently the most popular methods for protein family recognition. The deviation from random walks with inflation or dependency on hard threshold in similarity measure in those methods requires an enhancement for homology detection among multi-domain proteins. We propose to combine spectral clustering with neighborhood kernels in Markov similarity for enhancing sensitivity in detecting homology independent of “recent” paralogs. The spectral clustering approach with new combined local alignment kernels more effectively exploits the unsupervised protein sequences globally reducing inter-cluster walks. When combined with the corrections based on modified symmetry based proximity norm deemphasizing outliers, the technique proposed in this article outperforms other state-of-the-art cluster kernels among all twelve implemented kernels. The comparison with the state-of-the-art string and mismatch kernels also show the superior performance scores provided by the proposed kernels. Similar performance improvement also is found over an existing large dataset. Therefore the proposed spectral clustering framework over combined local alignment kernels with modified symmetry based correction achieves superior performance for unsupervised remote homolog detection even in multi-domain and promiscuous domain proteins from Genolevures database families with better biological relevance. Source code available upon request. Contact: sarkar@labri.fr. PMID:23457439

Searching remote homology with spectral clustering with symmetry in neighborhood cluster kernels.

PubMed

Maulik, Ujjwal; Sarkar, Anasua

2013-01-01

Remote homology detection among proteins utilizing only the unlabelled sequences is a central problem in comparative genomics. The existing cluster kernel methods based on neighborhoods and profiles and the Markov clustering algorithms are currently the most popular methods for protein family recognition. The deviation from random walks with inflation or dependency on hard threshold in similarity measure in those methods requires an enhancement for homology detection among multi-domain proteins. We propose to combine spectral clustering with neighborhood kernels in Markov similarity for enhancing sensitivity in detecting homology independent of "recent" paralogs. The spectral clustering approach with new combined local alignment kernels more effectively exploits the unsupervised protein sequences globally reducing inter-cluster walks. When combined with the corrections based on modified symmetry based proximity norm deemphasizing outliers, the technique proposed in this article outperforms other state-of-the-art cluster kernels among all twelve implemented kernels. The comparison with the state-of-the-art string and mismatch kernels also show the superior performance scores provided by the proposed kernels. Similar performance improvement also is found over an existing large dataset. Therefore the proposed spectral clustering framework over combined local alignment kernels with modified symmetry based correction achieves superior performance for unsupervised remote homolog detection even in multi-domain and promiscuous domain proteins from Genolevures database families with better biological relevance. Source code available upon request. sarkar@labri.fr.

Quasi-kernel polynomials and convergence results for quasi-minimal residual iterations

NASA Technical Reports Server (NTRS)

Freund, Roland W.

1992-01-01

Recently, Freund and Nachtigal have proposed a novel polynominal-based iteration, the quasi-minimal residual algorithm (QMR), for solving general nonsingular non-Hermitian linear systems. Motivated by the QMR method, we have introduced the general concept of quasi-kernel polynomials, and we have shown that the QMR algorithm is based on a particular instance of quasi-kernel polynomials. In this paper, we continue our study of quasi-kernel polynomials. In particular, we derive bounds for the norms of quasi-kernel polynomials. These results are then applied to obtain convergence theorems both for the QMR method and for a transpose-free variant of QMR, the TFQMR algorithm.

Preparation of uranium fuel kernels with silicon carbide nanoparticles using the internal gelation process

NASA Astrophysics Data System (ADS)

Hunt, R. D.; Silva, G. W. C. M.; Lindemer, T. B.; Anderson, K. K.; Collins, J. L.

2012-08-01

The US Department of Energy continues to use the internal gelation process in its preparation of tristructural isotropic coated fuel particles. The focus of this work is to develop uranium fuel kernels with adequately dispersed silicon carbide (SiC) nanoparticles, high crush strengths, uniform particle diameter, and good sphericity. During irradiation to high burnup, the SiC in the uranium kernels will serve as getters for excess oxygen and help control the oxygen potential in order to minimize the potential for kernel migration. The hardness of SiC required modifications to the gelation system that was used to make uranium kernels. Suitable processing conditions and potential equipment changes were identified so that the SiC could be homogeneously dispersed in gel spheres. Finally, dilute hydrogen rather than argon should be used to sinter the uranium kernels with SiC.

CW-SSIM kernel based random forest for image classification

NASA Astrophysics Data System (ADS)

Fan, Guangzhe; Wang, Zhou; Wang, Jiheng

2010-07-01

Complex wavelet structural similarity (CW-SSIM) index has been proposed as a powerful image similarity metric that is robust to translation, scaling and rotation of images, but how to employ it in image classification applications has not been deeply investigated. In this paper, we incorporate CW-SSIM as a kernel function into a random forest learning algorithm. This leads to a novel image classification approach that does not require a feature extraction or dimension reduction stage at the front end. We use hand-written digit recognition as an example to demonstrate our algorithm. We compare the performance of the proposed approach with random forest learning based on other kernels, including the widely adopted Gaussian and the inner product kernels. Empirical evidences show that the proposed method is superior in its classification power. We also compared our proposed approach with the direct random forest method without kernel and the popular kernel-learning method support vector machine. Our test results based on both simulated and realworld data suggest that the proposed approach works superior to traditional methods without the feature selection procedure.

System characterization of neuronal excitability in the hippocampus and its relevance to observed dynamics of spontaneous seizure-like transitions.

PubMed

Zalay, Osbert C; Serletis, Demitre; Carlen, Peter L; Bardakjian, Berj L

2010-06-01

Most forms of epilepsy are marked by seizure episodes that arise spontaneously. The low-magnesium/high-potassium (low-Mg(2+)/high-K(+)) experimental model of epilepsy is an acute model that produces spontaneous, recurring seizure-like events (SLEs). To elucidate the nature of spontaneous seizure transitions and their relationship to neuronal excitability, whole-cell recordings from the intact hippocampus were undertaken in vitro, and the response of hippocampal CA3 neurons to Gaussian white noise injection was obtained before and after treatment with various concentrations of low-Mg(2+)/high-K(+) solution. A second-order Volterra kernel model was estimated for each of the input-output response pairs. The spectral energy of the responses was also computed, providing a quantitative measure of neuronal excitability. Changes in duration and amplitude of the first-order kernel correlated positively with the spectral energy increase following treatment with low-Mg(2+)/high-K(+) solution, suggesting that variations in neuronal excitability are coded by the system kernels, in part by differences to the profile of the first-order kernel. In particular, kernel duration was more sensitive than amplitude to changes in spectral energy, and correlated more strongly with kernel area. An oscillator network model of the hippocampal CA3 was constructed to investigate the relationship of kernel duration to network excitability, and the model was able to generate spontaneous, recurrent SLEs by increasing the duration of a mode function analogous to the first-order kernel. Results from the model indicated that disruption to the dynamic balance of feedback was responsible for seizure-like transitions and the observed intermittency of SLEs. A physiological candidate for feedback imbalance consistent with the network model is the destabilizing interaction of extracellular potassium and paroxysmal neuronal activation. Altogether, these results (1) validate a mathematical model for epileptiform activity in the hippocampus by quantifying and subsequently correlating its behavior with an experimental, in vitro model of epilepsy; (2) elucidate a possible mechanism for epileptogenesis; and (3) pave the way for control studies in epilepsy utilizing the herein proposed experimental and mathematical setup.

System characterization of neuronal excitability in the hippocampus and its relevance to observed dynamics of spontaneous seizure-like transitions

NASA Astrophysics Data System (ADS)

Zalay, Osbert C.; Serletis, Demitre; Carlen, Peter L.; Bardakjian, Berj L.

2010-06-01

Most forms of epilepsy are marked by seizure episodes that arise spontaneously. The low-magnesium/high-potassium (low-Mg2+/high-K+) experimental model of epilepsy is an acute model that produces spontaneous, recurring seizure-like events (SLEs). To elucidate the nature of spontaneous seizure transitions and their relationship to neuronal excitability, whole-cell recordings from the intact hippocampus were undertaken in vitro, and the response of hippocampal CA3 neurons to Gaussian white noise injection was obtained before and after treatment with various concentrations of low-Mg2+/high-K+ solution. A second-order Volterra kernel model was estimated for each of the input-output response pairs. The spectral energy of the responses was also computed, providing a quantitative measure of neuronal excitability. Changes in duration and amplitude of the first-order kernel correlated positively with the spectral energy increase following treatment with low-Mg2+/high-K+ solution, suggesting that variations in neuronal excitability are coded by the system kernels, in part by differences to the profile of the first-order kernel. In particular, kernel duration was more sensitive than amplitude to changes in spectral energy, and correlated more strongly with kernel area. An oscillator network model of the hippocampal CA3 was constructed to investigate the relationship of kernel duration to network excitability, and the model was able to generate spontaneous, recurrent SLEs by increasing the duration of a mode function analogous to the first-order kernel. Results from the model indicated that disruption to the dynamic balance of feedback was responsible for seizure-like transitions and the observed intermittency of SLEs. A physiological candidate for feedback imbalance consistent with the network model is the destabilizing interaction of extracellular potassium and paroxysmal neuronal activation. Altogether, these results (1) validate a mathematical model for epileptiform activity in the hippocampus by quantifying and subsequently correlating its behavior with an experimental, in vitro model of epilepsy; (2) elucidate a possible mechanism for epileptogenesis; and (3) pave the way for control studies in epilepsy utilizing the herein proposed experimental and mathematical setup.

Osteoarthritis classification using self organizing map based on gabor kernel and contrast-limited adaptive histogram equalization.

PubMed

Anifah, Lilik; Purnama, I Ketut Eddy; Hariadi, Mochamad; Purnomo, Mauridhi Hery

2013-01-01

Localization is the first step in osteoarthritis (OA) classification. Manual classification, however, is time-consuming, tedious, and expensive. The proposed system is designed as decision support system for medical doctors to classify the severity of knee OA. A method has been proposed here to localize a joint space area for OA and then classify it in 4 steps to classify OA into KL-Grade 0, KL-Grade 1, KL-Grade 2, KL-Grade 3 and KL-Grade 4, which are preprocessing, segmentation, feature extraction, and classification. In this proposed system, right and left knee detection was performed by employing the Contrast-Limited Adaptive Histogram Equalization (CLAHE) and the template matching. The Gabor kernel, row sum graph and moment methods were used to localize the junction space area of knee. CLAHE is used for preprocessing step, i.e.to normalize the varied intensities. The segmentation process was conducted using the Gabor kernel, template matching, row sum graph and gray level center of mass method. Here GLCM (contrast, correlation, energy, and homogeinity) features were employed as training data. Overall, 50 data were evaluated for training and 258 data for testing. Experimental results showed the best performance by using gabor kernel with parameters α=8, θ=0, Ψ=[0 π/2], γ=0,8, N=4 and with number of iterations being 5000, momentum value 0.5 and α0=0.6 for the classification process. The run gave classification accuracy rate of 93.8% for KL-Grade 0, 70% for KL-Grade 1, 4% for KL-Grade 2, 10% for KL-Grade 3 and 88.9% for KL-Grade 4.

Osteoarthritis Classification Using Self Organizing Map Based on Gabor Kernel and Contrast-Limited Adaptive Histogram Equalization

PubMed Central

Anifah, Lilik; Purnama, I Ketut Eddy; Hariadi, Mochamad; Purnomo, Mauridhi Hery

2013-01-01

Localization is the first step in osteoarthritis (OA) classification. Manual classification, however, is time-consuming, tedious, and expensive. The proposed system is designed as decision support system for medical doctors to classify the severity of knee OA. A method has been proposed here to localize a joint space area for OA and then classify it in 4 steps to classify OA into KL-Grade 0, KL-Grade 1, KL-Grade 2, KL-Grade 3 and KL-Grade 4, which are preprocessing, segmentation, feature extraction, and classification. In this proposed system, right and left knee detection was performed by employing the Contrast-Limited Adaptive Histogram Equalization (CLAHE) and the template matching. The Gabor kernel, row sum graph and moment methods were used to localize the junction space area of knee. CLAHE is used for preprocessing step, i.e.to normalize the varied intensities. The segmentation process was conducted using the Gabor kernel, template matching, row sum graph and gray level center of mass method. Here GLCM (contrast, correlation, energy, and homogeinity) features were employed as training data. Overall, 50 data were evaluated for training and 258 data for testing. Experimental results showed the best performance by using gabor kernel with parameters α=8, θ=0, Ψ=[0 π/2], γ=0,8, N=4 and with number of iterations being 5000, momentum value 0.5 and α0=0.6 for the classification process. The run gave classification accuracy rate of 93.8% for KL-Grade 0, 70% for KL-Grade 1, 4% for KL-Grade 2, 10% for KL-Grade 3 and 88.9% for KL-Grade 4. PMID:23525188

Flood susceptibility mapping using a novel ensemble weights-of-evidence and support vector machine models in GIS

NASA Astrophysics Data System (ADS)

Tehrany, Mahyat Shafapour; Pradhan, Biswajeet; Jebur, Mustafa Neamah

2014-05-01

Flood is one of the most devastating natural disasters that occur frequently in Terengganu, Malaysia. Recently, ensemble based techniques are getting extremely popular in flood modeling. In this paper, weights-of-evidence (WoE) model was utilized first, to assess the impact of classes of each conditioning factor on flooding through bivariate statistical analysis (BSA). Then, these factors were reclassified using the acquired weights and entered into the support vector machine (SVM) model to evaluate the correlation between flood occurrence and each conditioning factor. Through this integration, the weak point of WoE can be solved and the performance of the SVM will be enhanced. The spatial database included flood inventory, slope, stream power index (SPI), topographic wetness index (TWI), altitude, curvature, distance from the river, geology, rainfall, land use/cover (LULC), and soil type. Four kernel types of SVM (linear kernel (LN), polynomial kernel (PL), radial basis function kernel (RBF), and sigmoid kernel (SIG)) were used to investigate the performance of each kernel type. The efficiency of the new ensemble WoE and SVM method was tested using area under curve (AUC) which measured the prediction and success rates. The validation results proved the strength and efficiency of the ensemble method over the individual methods. The best results were obtained from RBF kernel when compared with the other kernel types. Success rate and prediction rate for ensemble WoE and RBF-SVM method were 96.48% and 95.67% respectively. The proposed ensemble flood susceptibility mapping method could assist researchers and local governments in flood mitigation strategies.

A kernel-based novelty detection scheme for the ultra-fast detection of chirp evoked Auditory Brainstem Responses.

PubMed

Corona-Strauss, Farah I; Delb, Wolfgang; Schick, Bernhard; Strauss, Daniel J

2010-01-01

Auditory Brainstem Responses (ABRs) are used as objective method for diagnostics and quantification of hearing loss. Many methods for automatic recognition of ABRs have been developed, but none of them include the individual measurement setup in the analysis. The purpose of this work was to design a fast recognition scheme for chirp-evoked ABRs that is adjusted to the individual measurement condition using spontaneous electroencephalographic activity (SA). For the classification, the kernel-based novelty detection scheme used features based on the inter-sweep instantaneous phase synchronization as well as energy and entropy relations in the time-frequency domain. This method provided SA discrimination from stimulations above the hearing threshold with a minimum number of sweeps, i.e., 200 individual responses. It is concluded that the proposed paradigm, processing procedures and stimulation techniques improve the detection of ABRs in terms of the degree of objectivity, i.e., automation of procedure, and measurement time.

Source Code Analysis Laboratory (SCALe) for Energy Delivery Systems

DTIC Science & Technology

2010-12-01

the software for reevaluation. Once the ree- valuation process is completed, CERT provides the client a report detailing the software’s con - formance...Flagged Nonconformities (FNC) Software System TP/FNC Ratio Mozilla Firefox version 2.0 6/12 50% Linux kernel version 2.6.15 10/126 8% Wine...inappropriately tuned for analysis of the Linux kernel, which has anomalous results. Customizing SCALe to work with energy system software will help

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.

Multidimensional NMR inversion without Kronecker products: Multilinear inversion

NASA Astrophysics Data System (ADS)

Medellín, David; Ravi, Vivek R.; Torres-Verdín, Carlos

2016-08-01

Multidimensional NMR inversion using Kronecker products poses several challenges. First, kernel compression is only possible when the kernel matrices are separable, and in recent years, there has been an increasing interest in NMR sequences with non-separable kernels. Second, in three or more dimensions, the singular value decomposition is not unique; therefore kernel compression is not well-defined for higher dimensions. Without kernel compression, the Kronecker product yields matrices that require large amounts of memory, making the inversion intractable for personal computers. Finally, incorporating arbitrary regularization terms is not possible using the Lawson-Hanson (LH) or the Butler-Reeds-Dawson (BRD) algorithms. We develop a minimization-based inversion method that circumvents the above problems by using multilinear forms to perform multidimensional NMR inversion without using kernel compression or Kronecker products. The new method is memory efficient, requiring less than 0.1% of the memory required by the LH or BRD methods. It can also be extended to arbitrary dimensions and adapted to include non-separable kernels, linear constraints, and arbitrary regularization terms. Additionally, it is easy to implement because only a cost function and its first derivative are required to perform the inversion.

A Temperature Compensation Method for Piezo-Resistive Pressure Sensor Utilizing Chaotic Ions Motion Algorithm Optimized Hybrid Kernel LSSVM.

PubMed

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

2016-10-14

A piezo-resistive pressure sensor is made of silicon, the nature of which is considerably influenced by ambient temperature. The effect of temperature should be eliminated during the working period in expectation of linear output. To deal with this issue, an approach consists of a hybrid kernel Least Squares Support Vector Machine (LSSVM) optimized by a chaotic ions motion algorithm presented. To achieve the learning and generalization for excellent performance, a hybrid kernel function, constructed by a local kernel as Radial Basis Function (RBF) kernel, and a global kernel as polynomial kernel is incorporated into the Least Squares Support Vector Machine. The chaotic ions motion algorithm is introduced to find the best hyper-parameters of the Least Squares Support Vector Machine. The temperature data from a calibration experiment is conducted to validate the proposed method. With attention on algorithm robustness and engineering applications, the compensation result shows the proposed scheme outperforms other compared methods on several performance measures as maximum absolute relative error, minimum absolute relative error mean and variance of the averaged value on fifty runs. Furthermore, the proposed temperature compensation approach lays a foundation for more extensive research.

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.

Performance Assessment of Kernel Density Clustering for Gene Expression Profile Data

PubMed Central

Zeng, Beiyan; Chen, Yiping P.; Smith, Oscar H.

2003-01-01

Kernel density smoothing techniques have been used in classification or supervised learning of gene expression profile (GEP) data, but their applications to clustering or unsupervised learning of those data have not been explored and assessed. Here we report a kernel density clustering method for analysing GEP data and compare its performance with the three most widely-used clustering methods: hierarchical clustering, K-means clustering, and multivariate mixture model-based clustering. Using several methods to measure agreement, between-cluster isolation, and withincluster coherence, such as the Adjusted Rand Index, the Pseudo F test, the r2 test, and the profile plot, we have assessed the effectiveness of kernel density clustering for recovering clusters, and its robustness against noise on clustering both simulated and real GEP data. Our results show that the kernel density clustering method has excellent performance in recovering clusters from simulated data and in grouping large real expression profile data sets into compact and well-isolated clusters, and that it is the most robust clustering method for analysing noisy expression profile data compared to the other three methods assessed. PMID:18629292

Anatomical image-guided fluorescence molecular tomography reconstruction using kernel method

NASA Astrophysics Data System (ADS)

Baikejiang, Reheman; Zhao, Yue; Fite, Brett Z.; Ferrara, Katherine W.; Li, Changqing

2017-05-01

Fluorescence molecular tomography (FMT) is an important in vivo imaging modality to visualize physiological and pathological processes in small animals. However, FMT reconstruction is ill-posed and ill-conditioned due to strong optical scattering in deep tissues, which results in poor spatial resolution. It is well known that FMT image quality can be improved substantially by applying the structural guidance in the FMT reconstruction. An approach to introducing anatomical information into the FMT reconstruction is presented using the kernel method. In contrast to conventional methods that incorporate anatomical information with a Laplacian-type regularization matrix, the proposed method introduces the anatomical guidance into the projection model of FMT. The primary advantage of the proposed method is that it does not require segmentation of targets in the anatomical images. Numerical simulations and phantom experiments have been performed to demonstrate the proposed approach's feasibility. Numerical simulation results indicate that the proposed kernel method can separate two FMT targets with an edge-to-edge distance of 1 mm and is robust to false-positive guidance and inhomogeneity in the anatomical image. For the phantom experiments with two FMT targets, the kernel method has reconstructed both targets successfully, which further validates the proposed kernel method.

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.

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.

Learning free energy landscapes using artificial neural networks.

PubMed

Sidky, Hythem; Whitmer, Jonathan K

2018-03-14

Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to varied free energy landscapes. Further, user-specified parameters are in general non-intuitive yet significantly affect the convergence rate and accuracy of the free energy estimate. Here we propose a novel method, wherein artificial neural networks (ANNs) are used to develop an adaptive biasing potential which learns free energy landscapes. We demonstrate that this method is capable of rapidly adapting to complex free energy landscapes and is not prone to boundary or oscillation problems. The method is made robust to hyperparameters and overfitting through Bayesian regularization which penalizes network weights and auto-regulates the number of effective parameters in the network. ANN sampling represents a promising innovative approach which can resolve complex free energy landscapes in less time than conventional approaches while requiring minimal user input.

Learning free energy landscapes using artificial neural networks

NASA Astrophysics Data System (ADS)

Sidky, Hythem; Whitmer, Jonathan K.

2018-03-01

Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to varied free energy landscapes. Further, user-specified parameters are in general non-intuitive yet significantly affect the convergence rate and accuracy of the free energy estimate. Here we propose a novel method, wherein artificial neural networks (ANNs) are used to develop an adaptive biasing potential which learns free energy landscapes. We demonstrate that this method is capable of rapidly adapting to complex free energy landscapes and is not prone to boundary or oscillation problems. The method is made robust to hyperparameters and overfitting through Bayesian regularization which penalizes network weights and auto-regulates the number of effective parameters in the network. ANN sampling represents a promising innovative approach which can resolve complex free energy landscapes in less time than conventional approaches while requiring minimal user input.

Sepsis mortality prediction with the Quotient Basis Kernel.

PubMed

Ribas Ripoll, Vicent J; Vellido, Alfredo; Romero, Enrique; Ruiz-Rodríguez, Juan Carlos

2014-05-01

This paper presents an algorithm to assess the risk of death in patients with sepsis. Sepsis is a common clinical syndrome in the intensive care unit (ICU) that can lead to severe sepsis, a severe state of septic shock or multi-organ failure. The proposed algorithm may be implemented as part of a clinical decision support system that can be used in combination with the scores deployed in the ICU to improve the accuracy, sensitivity and specificity of mortality prediction for patients with sepsis. In this paper, we used the Simplified Acute Physiology Score (SAPS) for ICU patients and the Sequential Organ Failure Assessment (SOFA) to build our kernels and algorithms. In the proposed method, we embed the available data in a suitable feature space and use algorithms based on linear algebra, geometry and statistics for inference. We present a simplified version of the Fisher kernel (practical Fisher kernel for multinomial distributions), as well as a novel kernel that we named the Quotient Basis Kernel (QBK). These kernels are used as the basis for mortality prediction using soft-margin support vector machines. The two new kernels presented are compared against other generative kernels based on the Jensen-Shannon metric (centred, exponential and inverse) and other widely used kernels (linear, polynomial and Gaussian). Clinical relevance is also evaluated by comparing these results with logistic regression and the standard clinical prediction method based on the initial SAPS score. As described in this paper, we tested the new methods via cross-validation with a cohort of 400 test patients. The results obtained using our methods compare favourably with those obtained using alternative kernels (80.18% accuracy for the QBK) and the standard clinical prediction method, which are based on the basal SAPS score or logistic regression (71.32% and 71.55%, respectively). The QBK presented a sensitivity and specificity of 79.34% and 83.24%, which outperformed the other kernels analysed, logistic regression and the standard clinical prediction method based on the basal SAPS score. Several scoring systems for patients with sepsis have been introduced and developed over the last 30 years. They allow for the assessment of the severity of disease and provide an estimate of in-hospital mortality. Physiology-based scoring systems are applied to critically ill patients and have a number of advantages over diagnosis-based systems. Severity score systems are often used to stratify critically ill patients for possible inclusion in clinical trials. In this paper, we present an effective algorithm that combines both scoring methodologies for the assessment of death in patients with sepsis that can be used to improve the sensitivity and specificity of the currently available methods. Copyright © 2014 Elsevier B.V. All rights reserved.

Dynamic characteristics of oxygen consumption.

PubMed

Ye, Lin; Argha, Ahmadreza; Yu, Hairong; Celler, Branko G; Nguyen, Hung T; Su, Steven

2018-04-23

Previous studies have indicated that oxygen uptake ([Formula: see text]) is one of the most accurate indices for assessing the cardiorespiratory response to exercise. In most existing studies, the response of [Formula: see text] is often roughly modelled as a first-order system due to the inadequate stimulation and low signal to noise ratio. To overcome this difficulty, this paper proposes a novel nonparametric kernel-based method for the dynamic modelling of [Formula: see text] response to provide a more robust estimation. Twenty healthy non-athlete participants conducted treadmill exercises with monotonous stimulation (e.g., single step function as input). During the exercise, [Formula: see text] was measured and recorded by a popular portable gas analyser ([Formula: see text], COSMED). Based on the recorded data, a kernel-based estimation method was proposed to perform the nonparametric modelling of [Formula: see text]. For the proposed method, a properly selected kernel can represent the prior modelling information to reduce the dependence of comprehensive stimulations. Furthermore, due to the special elastic net formed by [Formula: see text] norm and kernelised [Formula: see text] norm, the estimations are smooth and concise. Additionally, the finite impulse response based nonparametric model which estimated by the proposed method can optimally select the order and fit better in terms of goodness-of-fit comparing to classical methods. Several kernels were introduced for the kernel-based [Formula: see text] modelling method. The results clearly indicated that the stable spline (SS) kernel has the best performance for [Formula: see text] modelling. Particularly, based on the experimental data from 20 participants, the estimated response from the proposed method with SS kernel was significantly better than the results from the benchmark method [i.e., prediction error method (PEM)] ([Formula: see text] vs [Formula: see text]). The proposed nonparametric modelling method is an effective method for the estimation of the impulse response of VO 2 -Speed system. Furthermore, the identified average nonparametric model method can dynamically predict [Formula: see text] response with acceptable accuracy during treadmill exercise.

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.

Protein fold recognition using geometric kernel data fusion.

PubMed

Zakeri, Pooya; Jeuris, Ben; Vandebril, Raf; Moreau, Yves

2014-07-01

Various approaches based on features extracted from protein sequences and often machine learning methods have been used in the prediction of protein folds. Finding an efficient technique for integrating these different protein features has received increasing attention. In particular, kernel methods are an interesting class of techniques for integrating heterogeneous data. Various methods have been proposed to fuse multiple kernels. Most techniques for multiple kernel learning focus on learning a convex linear combination of base kernels. In addition to the limitation of linear combinations, working with such approaches could cause a loss of potentially useful information. We design several techniques to combine kernel matrices by taking more involved, geometry inspired means of these matrices instead of convex linear combinations. We consider various sequence-based protein features including information extracted directly from position-specific scoring matrices and local sequence alignment. We evaluate our methods for classification on the SCOP PDB-40D benchmark dataset for protein fold recognition. The best overall accuracy on the protein fold recognition test set obtained by our methods is ∼ 86.7%. This is an improvement over the results of the best existing approach. Moreover, our computational model has been developed by incorporating the functional domain composition of proteins through a hybridization model. It is observed that by using our proposed hybridization model, the protein fold recognition accuracy is further improved to 89.30%. Furthermore, we investigate the performance of our approach on the protein remote homology detection problem by fusing multiple string kernels. The MATLAB code used for our proposed geometric kernel fusion frameworks are publicly available at http://people.cs.kuleuven.be/∼raf.vandebril/homepage/software/geomean.php?menu=5/. © The Author 2014. Published by Oxford University Press.

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.

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%.

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

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.

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.

Metabolite identification through multiple kernel learning on fragmentation trees.

PubMed

Shen, Huibin; Dührkop, Kai; Böcker, Sebastian; Rousu, Juho

2014-06-15

Metabolite identification from tandem mass spectrometric data is a key task in metabolomics. Various computational methods have been proposed for the identification of metabolites from tandem mass spectra. Fragmentation tree methods explore the space of possible ways in which the metabolite can fragment, and base the metabolite identification on scoring of these fragmentation trees. Machine learning methods have been used to map mass spectra to molecular fingerprints; predicted fingerprints, in turn, can be used to score candidate molecular structures. Here, we combine fragmentation tree computations with kernel-based machine learning to predict molecular fingerprints and identify molecular structures. We introduce a family of kernels capturing the similarity of fragmentation trees, and combine these kernels using recently proposed multiple kernel learning approaches. Experiments on two large reference datasets show that the new methods significantly improve molecular fingerprint prediction accuracy. These improvements result in better metabolite identification, doubling the number of metabolites ranked at the top position of the candidates list. © The Author 2014. Published by Oxford University Press.

Half-blind remote sensing image restoration with partly unknown degradation

NASA Astrophysics Data System (ADS)

Xie, Meihua; Yan, Fengxia

2017-01-01

The problem of image restoration has been extensively studied for its practical importance and theoretical interest. This paper mainly discusses the problem of image restoration with partly unknown kernel. In this model, the degraded kernel function is known but its parameters are unknown. With this model, we should estimate the parameters in Gaussian kernel and the real image simultaneity. For this new problem, a total variation restoration model is put out and an intersect direction iteration algorithm is designed. Peak Signal to Noise Ratio (PSNR) and Structural Similarity Index Measurement (SSIM) are used to measure the performance of the method. Numerical results show that we can estimate the parameters in kernel accurately, and the new method has both much higher PSNR and much higher SSIM than the expectation maximization (EM) method in many cases. In addition, the accuracy of estimation is not sensitive to noise. Furthermore, even though the support of the kernel is unknown, we can also use this method to get accurate estimation.

Coronary Stent Artifact Reduction with an Edge-Enhancing Reconstruction Kernel - A Prospective Cross-Sectional Study with 256-Slice CT.

PubMed

Tan, Stéphanie; Soulez, Gilles; Diez Martinez, Patricia; Larrivée, Sandra; Stevens, Louis-Mathieu; Goussard, Yves; Mansour, Samer; Chartrand-Lefebvre, Carl

2016-01-01

Metallic artifacts can result in an artificial thickening of the coronary stent wall which can significantly impair computed tomography (CT) imaging in patients with coronary stents. The objective of this study is to assess in vivo visualization of coronary stent wall and lumen with an edge-enhancing CT reconstruction kernel, as compared to a standard kernel. This is a prospective cross-sectional study involving the assessment of 71 coronary stents (24 patients), with blinded observers. After 256-slice CT angiography, image reconstruction was done with medium-smooth and edge-enhancing kernels. Stent wall thickness was measured with both orthogonal and circumference methods, averaging thickness from diameter and circumference measurements, respectively. Image quality was assessed quantitatively using objective parameters (noise, signal to noise (SNR) and contrast to noise (CNR) ratios), as well as visually using a 5-point Likert scale. Stent wall thickness was decreased with the edge-enhancing kernel in comparison to the standard kernel, either with the orthogonal (0.97 ± 0.02 versus 1.09 ± 0.03 mm, respectively; p<0.001) or the circumference method (1.13 ± 0.02 versus 1.21 ± 0.02 mm, respectively; p = 0.001). The edge-enhancing kernel generated less overestimation from nominal thickness compared to the standard kernel, both with the orthogonal (0.89 ± 0.19 versus 1.00 ± 0.26 mm, respectively; p<0.001) and the circumference (1.06 ± 0.26 versus 1.13 ± 0.31 mm, respectively; p = 0.005) methods. The edge-enhancing kernel was associated with lower SNR and CNR, as well as higher background noise (all p < 0.001), in comparison to the medium-smooth kernel. Stent visual scores were higher with the edge-enhancing kernel (p<0.001). In vivo 256-slice CT assessment of coronary stents shows that the edge-enhancing CT reconstruction kernel generates thinner stent walls, less overestimation from nominal thickness, and better image quality scores than the standard kernel.

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.

Examining Potential Boundary Bias Effects in Kernel Smoothing on Equating: An Introduction for the Adaptive and Epanechnikov Kernels.

PubMed

Cid, Jaime A; von Davier, Alina A

2015-05-01

Test equating is a method of making the test scores from different test forms of the same assessment comparable. In the equating process, an important step involves continuizing the discrete score distributions. In traditional observed-score equating, this step is achieved using linear interpolation (or an unscaled uniform kernel). In the kernel equating (KE) process, this continuization process involves Gaussian kernel smoothing. It has been suggested that the choice of bandwidth in kernel smoothing controls the trade-off between variance and bias. In the literature on estimating density functions using kernels, it has also been suggested that the weight of the kernel depends on the sample size, and therefore, the resulting continuous distribution exhibits bias at the endpoints, where the samples are usually smaller. The purpose of this article is (a) to explore the potential effects of atypical scores (spikes) at the extreme ends (high and low) on the KE method in distributions with different degrees of asymmetry using the randomly equivalent groups equating design (Study I), and (b) to introduce the Epanechnikov and adaptive kernels as potential alternative approaches to reducing boundary bias in smoothing (Study II). The beta-binomial model is used to simulate observed scores reflecting a range of different skewed shapes.

Fouling mechanism in ultrafiltration of vegetable oil

NASA Astrophysics Data System (ADS)

Ariono, D.; Wardani, A. K.; Widodo, S.; Aryanti, Putu T. P.; Wenten, I. G.

2018-03-01

Energy efficient and cost-effective separation of impurities from vegetable oil is a great challenge for vegetable oil processing. Several technologies have been developed, including pressurized membrane, chemical treatment, and chemical free separation methods. Among those technologies, ultrafiltration membrane is one of the most attractive processes with low operating pressure and temperature. In this work, hydrophobic polypropylene ultrafiltration membrane was used to remove impurities such as non-dissolved solids from palm kernel oil. Unfortunately, the hydrophobicity of polypropylene membrane leads to significant impact on the reduction of permeate flux due to membrane fouling. This fouling is associated with the accumulation of substances on the membrane surface or within the membrane pores. For better understanding, fouling mechanism that occurred during palm kernel oil ultrafiltration using hydrophobic polypropylene membrane was investigated. The effect of trans-membrane pressure and feed temperature on fouling mechanism was also studied. The result showed that cake formation became the dominant fouling mechanism up to 50 min operation of palm kernel oil ultrafiltration. Furthermore, the fouling mechanism was not affected by the increase of trans-membrane pressure and feed temperature.

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.

An energy efficient and high speed architecture for convolution computing based on binary resistive random access memory

NASA Astrophysics Data System (ADS)

Liu, Chen; Han, Runze; Zhou, Zheng; Huang, Peng; Liu, Lifeng; Liu, Xiaoyan; Kang, Jinfeng

2018-04-01

In this work we present a novel convolution computing architecture based on metal oxide resistive random access memory (RRAM) to process the image data stored in the RRAM arrays. The proposed image storage architecture shows performances of better speed-device consumption efficiency compared with the previous kernel storage architecture. Further we improve the architecture for a high accuracy and low power computing by utilizing the binary storage and the series resistor. For a 28 × 28 image and 10 kernels with a size of 3 × 3, compared with the previous kernel storage approach, the newly proposed architecture shows excellent performances including: 1) almost 100% accuracy within 20% LRS variation and 90% HRS variation; 2) more than 67 times speed boost; 3) 71.4% energy saving.

Identity Recognition Algorithm Using Improved Gabor Feature Selection of Gait Energy Image

NASA Astrophysics Data System (ADS)

Chao, LIANG; Ling-yao, JIA; Dong-cheng, SHI

2017-01-01

This paper describes an effective gait recognition approach based on Gabor features of gait energy image. In this paper, the kernel Fisher analysis combined with kernel matrix is proposed to select dominant features. The nearest neighbor classifier based on whitened cosine distance is used to discriminate different gait patterns. The approach proposed is tested on the CASIA and USF gait databases. The results show that our approach outperforms other state of gait recognition approaches in terms of recognition accuracy and robustness.

3DRT-MPASS

NASA Technical Reports Server (NTRS)

Lickly, Ben

2005-01-01

Data from all current JPL missions are stored in files called SPICE kernels. At present, animators who want to use data from these kernels have to either read through the kernels looking for the desired data, or write programs themselves to retrieve information about all the needed objects for their animations. In this project, methods of automating the process of importing the data from the SPICE kernels were researched. In particular, tools were developed for creating basic scenes in Maya, a 3D computer graphics software package, from SPICE kernels.

Experimental investigation on the impacts of ignition energy and position on ignition processes in supersonic flows by laser induced plasma

NASA Astrophysics Data System (ADS)

An, Bin; Wang, Zhenguo; Yang, Leichao; Li, Xipeng; Zhu, Jiajian

2017-08-01

Cavity ignition of a model scramjet combustor fueled by ethylene was achieved through laser induced plasma, with inflow conditions of Ma = 2.92, total temperature T0 = 1650 K and stagnation pressure P0 = 2.6 MPa. The overall equivalent ratio was kept at 0.152 for all the tests. The ignition processes at different ignition energies and various ignition positions were captured by CH∗ and OH∗ chemiluminescence imaging. The results reveal that the initial flame kernel is carried to the cavity leading edge by the recirculation flow, and resides there for ∼100 μs before spreading downstream. The ignition time can be reduced, and the possibility of successful ignition for single laser pulse can be promoted by enhancing ignition energy. The scale and strength of the initial flame kernel is influenced by both the ignition energy and position. In present study, the middle part of the cavity is the best position for ignition, as it keeps a good balance between the strength of initial flame kernel and the impacts of strain rate in recirculation flow.

MultiDK: A Multiple Descriptor Multiple Kernel Approach for Molecular Discovery and Its Application to Organic Flow Battery Electrolytes.

PubMed

Kim, Sungjin; Jinich, Adrián; Aspuru-Guzik, Alán

2017-04-24

We propose a multiple descriptor multiple kernel (MultiDK) method for efficient molecular discovery using machine learning. We show that the MultiDK method improves both the speed and accuracy of molecular property prediction. We apply the method to the discovery of electrolyte molecules for aqueous redox flow batteries. Using multiple-type-as opposed to single-type-descriptors, we obtain more relevant features for machine learning. Following the principle of "wisdom of the crowds", the combination of multiple-type descriptors significantly boosts prediction performance. Moreover, by employing multiple kernels-more than one kernel function for a set of the input descriptors-MultiDK exploits nonlinear relations between molecular structure and properties better than a linear regression approach. The multiple kernels consist of a Tanimoto similarity kernel and a linear kernel for a set of binary descriptors and a set of nonbinary descriptors, respectively. Using MultiDK, we achieve an average performance of r 2 = 0.92 with a test set of molecules for solubility prediction. We also extend MultiDK to predict pH-dependent solubility and apply it to a set of quinone molecules with different ionizable functional groups to assess their performance as flow battery electrolytes.

Compound analysis via graph kernels incorporating chirality.

PubMed

Brown, J B; Urata, Takashi; Tamura, Takeyuki; Arai, Midori A; Kawabata, Takeo; Akutsu, Tatsuya

2010-12-01

High accuracy is paramount when predicting biochemical characteristics using Quantitative Structural-Property Relationships (QSPRs). Although existing graph-theoretic kernel methods combined with machine learning techniques are efficient for QSPR model construction, they cannot distinguish topologically identical chiral compounds which often exhibit different biological characteristics. In this paper, we propose a new method that extends the recently developed tree pattern graph kernel to accommodate stereoisomers. We show that Support Vector Regression (SVR) with a chiral graph kernel is useful for target property prediction by demonstrating its application to a set of human vitamin D receptor ligands currently under consideration for their potential anti-cancer effects.

A locally adaptive kernel regression method for facies delineation

NASA Astrophysics Data System (ADS)

Fernàndez-Garcia, D.; Barahona-Palomo, M.; Henri, C. V.; Sanchez-Vila, X.

2015-12-01

Facies delineation is defined as the separation of geological units with distinct intrinsic characteristics (grain size, hydraulic conductivity, mineralogical composition). A major challenge in this area stems from the fact that only a few scattered pieces of hydrogeological information are available to delineate geological facies. Several methods to delineate facies are available in the literature, ranging from those based only on existing hard data, to those including secondary data or external knowledge about sedimentological patterns. This paper describes a methodology to use kernel regression methods as an effective tool for facies delineation. The method uses both the spatial and the actual sampled values to produce, for each individual hard data point, a locally adaptive steering kernel function, self-adjusting the principal directions of the local anisotropic kernels to the direction of highest local spatial correlation. The method is shown to outperform the nearest neighbor classification method in a number of synthetic aquifers whenever the available number of hard data is small and randomly distributed in space. In the case of exhaustive sampling, the steering kernel regression method converges to the true solution. Simulations ran in a suite of synthetic examples are used to explore the selection of kernel parameters in typical field settings. It is shown that, in practice, a rule of thumb can be used to obtain suboptimal results. The performance of the method is demonstrated to significantly improve when external information regarding facies proportions is incorporated. Remarkably, the method allows for a reasonable reconstruction of the facies connectivity patterns, shown in terms of breakthrough curves performance.

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

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.

A new randomized Kaczmarz based kernel canonical correlation analysis algorithm with applications to information retrieval.

PubMed

Cai, Jia; Tang, Yi

2018-02-01

Canonical correlation analysis (CCA) is a powerful statistical tool for detecting the linear relationship between two sets of multivariate variables. Kernel generalization of it, namely, kernel CCA is proposed to describe nonlinear relationship between two variables. Although kernel CCA can achieve dimensionality reduction results for high-dimensional data feature selection problem, it also yields the so called over-fitting phenomenon. In this paper, we consider a new kernel CCA algorithm via randomized Kaczmarz method. The main contributions of the paper are: (1) A new kernel CCA algorithm is developed, (2) theoretical convergence of the proposed algorithm is addressed by means of scaled condition number, (3) a lower bound which addresses the minimum number of iterations is presented. We test on both synthetic dataset and several real-world datasets in cross-language document retrieval and content-based image retrieval to demonstrate the effectiveness of the proposed algorithm. Numerical results imply the performance and efficiency of the new algorithm, which is competitive with several state-of-the-art kernel CCA methods. Copyright © 2017 Elsevier Ltd. All rights reserved.

Kernel-PCA data integration with enhanced interpretability

PubMed Central

2014-01-01

Background Nowadays, combining the different sources of information to improve the biological knowledge available is a challenge in bioinformatics. One of the most powerful methods for integrating heterogeneous data types are kernel-based methods. Kernel-based data integration approaches consist of two basic steps: firstly the right kernel is chosen for each data set; secondly the kernels from the different data sources are combined to give a complete representation of the available data for a given statistical task. Results We analyze the integration of data from several sources of information using kernel PCA, from the point of view of reducing dimensionality. Moreover, we improve the interpretability of kernel PCA by adding to the plot the representation of the input variables that belong to any dataset. In particular, for each input variable or linear combination of input variables, we can represent the direction of maximum growth locally, which allows us to identify those samples with higher/lower values of the variables analyzed. Conclusions The integration of different datasets and the simultaneous representation of samples and variables together give us a better understanding of biological knowledge. PMID:25032747

Anatomical image-guided fluorescence molecular tomography reconstruction using kernel method

PubMed Central

Baikejiang, Reheman; Zhao, Yue; Fite, Brett Z.; Ferrara, Katherine W.; Li, Changqing

2017-01-01

Abstract. Fluorescence molecular tomography (FMT) is an important in vivo imaging modality to visualize physiological and pathological processes in small animals. However, FMT reconstruction is ill-posed and ill-conditioned due to strong optical scattering in deep tissues, which results in poor spatial resolution. It is well known that FMT image quality can be improved substantially by applying the structural guidance in the FMT reconstruction. An approach to introducing anatomical information into the FMT reconstruction is presented using the kernel method. In contrast to conventional methods that incorporate anatomical information with a Laplacian-type regularization matrix, the proposed method introduces the anatomical guidance into the projection model of FMT. The primary advantage of the proposed method is that it does not require segmentation of targets in the anatomical images. Numerical simulations and phantom experiments have been performed to demonstrate the proposed approach’s feasibility. Numerical simulation results indicate that the proposed kernel method can separate two FMT targets with an edge-to-edge distance of 1 mm and is robust to false-positive guidance and inhomogeneity in the anatomical image. For the phantom experiments with two FMT targets, the kernel method has reconstructed both targets successfully, which further validates the proposed kernel method. PMID:28464120

Effects of sample size on KERNEL home range estimates

USGS Publications Warehouse

Seaman, D.E.; Millspaugh, J.J.; Kernohan, Brian J.; Brundige, Gary C.; Raedeke, Kenneth J.; Gitzen, Robert A.

1999-01-01

Kernel methods for estimating home range are being used increasingly in wildlife research, but the effect of sample size on their accuracy is not known. We used computer simulations of 10-200 points/home range and compared accuracy of home range estimates produced by fixed and adaptive kernels with the reference (REF) and least-squares cross-validation (LSCV) methods for determining the amount of smoothing. Simulated home ranges varied from simple to complex shapes created by mixing bivariate normal distributions. We used the size of the 95% home range area and the relative mean squared error of the surface fit to assess the accuracy of the kernel home range estimates. For both measures, the bias and variance approached an asymptote at about 50 observations/home range. The fixed kernel with smoothing selected by LSCV provided the least-biased estimates of the 95% home range area. All kernel methods produced similar surface fit for most simulations, but the fixed kernel with LSCV had the lowest frequency and magnitude of very poor estimates. We reviewed 101 papers published in The Journal of Wildlife Management (JWM) between 1980 and 1997 that estimated animal home ranges. A minority of these papers used nonparametric utilization distribution (UD) estimators, and most did not adequately report sample sizes. We recommend that home range studies using kernel estimates use LSCV to determine the amount of smoothing, obtain a minimum of 30 observations per animal (but preferably a?Y50), and report sample sizes in published results.

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.

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.

Santalbic acid from quandong kernels and oil fed to rats affects kidney and liver P450.

PubMed

Jones, G P; Watson, T G; Sinclair, A J; Birkett, A; Dunt, N; Nair, S S; Tonkin, S Y

1999-09-01

Kernels of the plant Santalum acuminatum (quandong) are eaten as Australian 'bush foods'. They are rich in oil and contain relatively large amounts of the acetylenic fatty acid, santalbic acid (trans-11-octadecen-9-ynoic acid), whose chemical structure is unlike that of normal dietary fatty acids. When rats were fed high fat diets in which oil from quandong kernels supplied 50% of dietary energy, the proportion of santalbic acid absorbed was more than 90%. Feeding quandong oil elevated not only total hepatic cytochrome P450 but also the cytochrome P450 4A subgroup of enzymes as shown by a specific immunoblotting technique. A purified methyl santalbate preparation isolated from quandong oil was fed to rats at 9% of dietary energy for 4 days and this also elevated cytochrome P450 4A in both kidney and liver microsomes in comparison with methyl esters from canola oil. Santalbic acid appears to be metabolized differently from the usual dietary fatty acids and the consumption of oil from quandong kernels may cause perturbations in normal fatty acid biochemistry.

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.

Construction of phylogenetic trees by kernel-based comparative analysis of metabolic networks.

PubMed

Oh, S June; Joung, Je-Gun; Chang, Jeong-Ho; Zhang, Byoung-Tak

2006-06-06

To infer the tree of life requires knowledge of the common characteristics of each species descended from a common ancestor as the measuring criteria and a method to calculate the distance between the resulting values of each measure. Conventional phylogenetic analysis based on genomic sequences provides information about the genetic relationships between different organisms. In contrast, comparative analysis of metabolic pathways in different organisms can yield insights into their functional relationships under different physiological conditions. However, evaluating the similarities or differences between metabolic networks is a computationally challenging problem, and systematic methods of doing this are desirable. Here we introduce a graph-kernel method for computing the similarity between metabolic networks in polynomial time, and use it to profile metabolic pathways and to construct phylogenetic trees. To compare the structures of metabolic networks in organisms, we adopted the exponential graph kernel, which is a kernel-based approach with a labeled graph that includes a label matrix and an adjacency matrix. To construct the phylogenetic trees, we used an unweighted pair-group method with arithmetic mean, i.e., a hierarchical clustering algorithm. We applied the kernel-based network profiling method in a comparative analysis of nine carbohydrate metabolic networks from 81 biological species encompassing Archaea, Eukaryota, and Eubacteria. The resulting phylogenetic hierarchies generally support the tripartite scheme of three domains rather than the two domains of prokaryotes and eukaryotes. By combining the kernel machines with metabolic information, the method infers the context of biosphere development that covers physiological events required for adaptation by genetic reconstruction. The results show that one may obtain a global view of the tree of life by comparing the metabolic pathway structures using meta-level information rather than sequence information. This method may yield further information about biological evolution, such as the history of horizontal transfer of each gene, by studying the detailed structure of the phylogenetic tree constructed by the kernel-based method.

Total Ambient Dose Equivalent Buildup Factor Determination for Nbs04 Concrete.

PubMed

Duckic, Paulina; Hayes, Robert B

2018-06-01

Buildup factors are dimensionless multiplicative factors required by the point kernel method to account for scattered radiation through a shielding material. The accuracy of the point kernel method is strongly affected by the correspondence of analyzed parameters to experimental configurations, which is attempted to be simplified here. The point kernel method has not been found to have widespread practical use for neutron shielding calculations due to the complex neutron transport behavior through shielding materials (i.e. the variety of interaction mechanisms that neutrons may undergo while traversing the shield) as well as non-linear neutron total cross section energy dependence. In this work, total ambient dose buildup factors for NBS04 concrete are calculated in terms of neutron and secondary gamma ray transmission factors. The neutron and secondary gamma ray transmission factors are calculated using MCNP6™ code with updated cross sections. Both transmission factors and buildup factors are given in a tabulated form. Practical use of neutron transmission and buildup factors warrants rigorously calculated results with all associated uncertainties. In this work, sensitivity analysis of neutron transmission factors and total buildup factors with varying water content has been conducted. The analysis showed significant impact of varying water content in concrete on both neutron transmission factors and total buildup factors. Finally, support vector regression, a machine learning technique, has been engaged to make a model based on the calculated data for calculation of the buildup factors. The developed model can predict most of the data with 20% relative error.

SU-E-T-22: A Deterministic Solver of the Boltzmann-Fokker-Planck Equation for Dose Calculation

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

Hong, X; Gao, H; Paganetti, H

2015-06-15

Purpose: The Boltzmann-Fokker-Planck equation (BFPE) accurately models the migration of photons/charged particles in tissues. While the Monte Carlo (MC) method is popular for solving BFPE in a statistical manner, we aim to develop a deterministic BFPE solver based on various state-of-art numerical acceleration techniques for rapid and accurate dose calculation. Methods: Our BFPE solver is based on the structured grid that is maximally parallelizable, with the discretization in energy, angle and space, and its cross section coefficients are derived or directly imported from the Geant4 database. The physical processes that are taken into account are Compton scattering, photoelectric effect, pairmore » production for photons, and elastic scattering, ionization and bremsstrahlung for charged particles.While the spatial discretization is based on the diamond scheme, the angular discretization synergizes finite element method (FEM) and spherical harmonics (SH). Thus, SH is used to globally expand the scattering kernel and FFM is used to locally discretize the angular sphere. As a Result, this hybrid method (FEM-SH) is both accurate in dealing with forward-peaking scattering via FEM, and efficient for multi-energy-group computation via SH. In addition, FEM-SH enables the analytical integration in energy variable of delta scattering kernel for elastic scattering with reduced truncation error from the numerical integration based on the classic SH-based multi-energy-group method. Results: The accuracy of the proposed BFPE solver was benchmarked against Geant4 for photon dose calculation. In particular, FEM-SH had improved accuracy compared to FEM, while both were within 2% of the results obtained with Geant4. Conclusion: A deterministic solver of the Boltzmann-Fokker-Planck equation is developed for dose calculation, and benchmarked against Geant4. Xiang Hong and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang Talent Program (#14PJ1404500)« less

Kernel Methods for Mining Instance Data in Ontologies

NASA Astrophysics Data System (ADS)

Bloehdorn, Stephan; Sure, York

The amount of ontologies and meta data available on the Web is constantly growing. The successful application of machine learning techniques for learning of ontologies from textual data, i.e. mining for the Semantic Web, contributes to this trend. However, no principal approaches exist so far for mining from the Semantic Web. We investigate how machine learning algorithms can be made amenable for directly taking advantage of the rich knowledge expressed in ontologies and associated instance data. Kernel methods have been successfully employed in various learning tasks and provide a clean framework for interfacing between non-vectorial data and machine learning algorithms. In this spirit, we express the problem of mining instances in ontologies as the problem of defining valid corresponding kernels. We present a principled framework for designing such kernels by means of decomposing the kernel computation into specialized kernels for selected characteristics of an ontology which can be flexibly assembled and tuned. Initial experiments on real world Semantic Web data enjoy promising results and show the usefulness of our approach.

a Comparison Study of Different Kernel Functions for Svm-Based Classification of Multi-Temporal Polarimetry SAR Data

NASA Astrophysics Data System (ADS)

Yekkehkhany, B.; Safari, A.; Homayouni, S.; Hasanlou, M.

2014-10-01

In this paper, a framework is developed based on Support Vector Machines (SVM) for crop classification using polarimetric features extracted from multi-temporal Synthetic Aperture Radar (SAR) imageries. The multi-temporal integration of data not only improves the overall retrieval accuracy but also provides more reliable estimates with respect to single-date data. Several kernel functions are employed and compared in this study for mapping the input space to higher Hilbert dimension space. These kernel functions include linear, polynomials and Radial Based Function (RBF). The method is applied to several UAVSAR L-band SAR images acquired over an agricultural area near Winnipeg, Manitoba, Canada. In this research, the temporal alpha features of H/A/α decomposition method are used in classification. The experimental tests show an SVM classifier with RBF kernel for three dates of data increases the Overall Accuracy (OA) to up to 3% in comparison to using linear kernel function, and up to 1% in comparison to a 3rd degree polynomial kernel function.

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.

Nonparametric Stochastic Model for Uncertainty Quantifi cation of Short-term Wind Speed Forecasts

NASA Astrophysics Data System (ADS)

AL-Shehhi, A. M.; Chaouch, M.; Ouarda, T.

2014-12-01

Wind energy is increasing in importance as a renewable energy source due to its potential role in reducing carbon emissions. It is a safe, clean, and inexhaustible source of energy. The amount of wind energy generated by wind turbines is closely related to the wind speed. Wind speed forecasting plays a vital role in the wind energy sector in terms of wind turbine optimal operation, wind energy dispatch and scheduling, efficient energy harvesting etc. It is also considered during planning, design, and assessment of any proposed wind project. Therefore, accurate prediction of wind speed carries a particular importance and plays significant roles in the wind industry. Many methods have been proposed in the literature for short-term wind speed forecasting. These methods are usually based on modeling historical fixed time intervals of the wind speed data and using it for future prediction. The methods mainly include statistical models such as ARMA, ARIMA model, physical models for instance numerical weather prediction and artificial Intelligence techniques for example support vector machine and neural networks. In this paper, we are interested in estimating hourly wind speed measures in United Arab Emirates (UAE). More precisely, we predict hourly wind speed using a nonparametric kernel estimation of the regression and volatility functions pertaining to nonlinear autoregressive model with ARCH model, which includes unknown nonlinear regression function and volatility function already discussed in the literature. The unknown nonlinear regression function describe the dependence between the value of the wind speed at time t and its historical data at time t -1, t - 2, … , t - d. This function plays a key role to predict hourly wind speed process. The volatility function, i.e., the conditional variance given the past, measures the risk associated to this prediction. Since the regression and the volatility functions are supposed to be unknown, they are estimated using nonparametric kernel methods. In addition, to the pointwise hourly wind speed forecasts, a confidence interval is also provided which allows to quantify the uncertainty around the forecasts.

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 fast and objective multidimensional kernel density estimation method: fastKDE

DOE PAGES

O'Brien, Travis A.; Kashinath, Karthik; Cavanaugh, Nicholas R.; ...

2016-03-07

Numerous facets of scientific research implicitly or explicitly call for the estimation of probability densities. Histograms and kernel density estimates (KDEs) are two commonly used techniques for estimating such information, with the KDE generally providing a higher fidelity representation of the probability density function (PDF). Both methods require specification of either a bin width or a kernel bandwidth. While techniques exist for choosing the kernel bandwidth optimally and objectively, they are computationally intensive, since they require repeated calculation of the KDE. A solution for objectively and optimally choosing both the kernel shape and width has recently been developed by Bernacchiamore » and Pigolotti (2011). While this solution theoretically applies to multidimensional KDEs, it has not been clear how to practically do so. A method for practically extending the Bernacchia-Pigolotti KDE to multidimensions is introduced. This multidimensional extension is combined with a recently-developed computational improvement to their method that makes it computationally efficient: a 2D KDE on 10 5 samples only takes 1 s on a modern workstation. This fast and objective KDE method, called the fastKDE method, retains the excellent statistical convergence properties that have been demonstrated for univariate samples. The fastKDE method exhibits statistical accuracy that is comparable to state-of-the-science KDE methods publicly available in R, and it produces kernel density estimates several orders of magnitude faster. The fastKDE method does an excellent job of encoding covariance information for bivariate samples. This property allows for direct calculation of conditional PDFs with fastKDE. It is demonstrated how this capability might be leveraged for detecting non-trivial relationships between quantities in physical systems, such as transitional behavior.« less

Indetermination of particle sizing by laser diffraction in the anomalous size ranges

NASA Astrophysics Data System (ADS)

Pan, Linchao; Ge, Baozhen; Zhang, Fugen

2017-09-01

The laser diffraction method is widely used to measure particle size distributions. It is generally accepted that the scattering angle becomes smaller and the angles to the location of the main peak of scattered energy distributions in laser diffraction instruments shift to smaller values with increasing particle size. This specific principle forms the foundation of the laser diffraction method. However, this principle is not entirely correct for non-absorbing particles in certain size ranges and these particle size ranges are called anomalous size ranges. Here, we derive the analytical formulae for the bounds of the anomalous size ranges and discuss the influence of the width of the size segments on the signature of the Mie scattering kernel. This anomalous signature of the Mie scattering kernel will result in an indetermination of the particle size distribution when measured by laser diffraction instruments in the anomalous size ranges. By using the singular-value decomposition method we interpret the mechanism of occurrence of this indetermination in detail and then validate its existence by using inversion simulations.

Using Adjoint Methods to Improve 3-D Velocity Models of Southern California

NASA Astrophysics Data System (ADS)

Liu, Q.; Tape, C.; Maggi, A.; Tromp, J.

2006-12-01

We use adjoint methods popular in climate and ocean dynamics to calculate Fréchet derivatives for tomographic inversions in southern California. The Fréchet derivative of an objective function χ(m), where m denotes the Earth model, may be written in the generic form δχ=int Km(x) δln m(x) d3x, where δln m=δ m/m denotes the relative model perturbation. For illustrative purposes, we construct the 3-D finite-frequency banana-doughnut kernel Km, corresponding to the misfit of a single traveltime measurement, by simultaneously computing the 'adjoint' wave field s† forward in time and reconstructing the regular wave field s backward in time. The adjoint wave field is produced by using the time-reversed velocity at the receiver as a fictitious source, while the regular wave field is reconstructed on the fly by propagating the last frame of the wave field saved by a previous forward simulation backward in time. The approach is based upon the spectral-element method, and only two simulations are needed to produce density, shear-wave, and compressional-wave sensitivity kernels. This method is applied to the SCEC southern California velocity model. Various density, shear-wave, and compressional-wave sensitivity kernels are presented for different phases in the seismograms. We also generate 'event' kernels for Pnl, S and surface waves, which are the Fréchet kernels of misfit functions that measure the P, S or surface wave traveltime residuals at all the receivers simultaneously for one particular event. Effectively, an event kernel is a sum of weighted Fréchet kernels, with weights determined by the associated traveltime anomalies. By the nature of the 3-D simulation, every event kernel is also computed based upon just two simulations, i.e., its construction costs the same amount of computation time as an individual banana-doughnut kernel. One can think of the sum of the event kernels for all available earthquakes, called the 'misfit' kernel, as a graphical representation of the gradient of the misfit function. With the capability of computing both the value of the misfit function and its gradient, which assimilates the traveltime anomalies, we are ready to use a non-linear conjugate gradient algorithm to iteratively improve velocity models of southern California.

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

Research on offense and defense technology for iOS kernel security mechanism

NASA Astrophysics Data System (ADS)

Chu, Sijun; Wu, Hao

2018-04-01

iOS is a strong and widely used mobile device system. It's annual profits make up about 90% of the total profits of all mobile phone brands. Though it is famous for its security, there have been many attacks on the iOS operating system, such as the Trident apt attack in 2016. So it is important to research the iOS security mechanism and understand its weaknesses and put forward targeted protection and security check framework. By studying these attacks and previous jailbreak tools, we can see that an attacker could only run a ROP code and gain kernel read and write permissions based on the ROP after exploiting kernel and user layer vulnerabilities. However, the iOS operating system is still protected by the code signing mechanism, the sandbox mechanism, and the not-writable mechanism of the system's disk area. This is far from the steady, long-lasting control that attackers expect. Before iOS 9, breaking these security mechanisms was usually done by modifying the kernel's important data structures and security mechanism code logic. However, after iOS 9, the kernel integrity protection mechanism was added to the 64-bit operating system and none of the previous methods were adapted to the new versions of iOS [1]. But this does not mean that attackers can not break through. Therefore, based on the analysis of the vulnerability of KPP security mechanism, this paper implements two possible breakthrough methods for kernel security mechanism for iOS9 and iOS10. Meanwhile, we propose a defense method based on kernel integrity detection and sensitive API call detection to defense breakthrough method mentioned above. And we make experiments to prove that this method can prevent and detect attack attempts or invaders effectively and timely.

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.

Design of k-Space Channel Combination Kernels and Integration with Parallel Imaging

PubMed Central

Beatty, Philip J.; Chang, Shaorong; Holmes, James H.; Wang, Kang; Brau, Anja C. S.; Reeder, Scott B.; Brittain, Jean H.

2014-01-01

Purpose In this work, a new method is described for producing local k-space channel combination kernels using a small amount of low-resolution multichannel calibration data. Additionally, this work describes how these channel combination kernels can be combined with local k-space unaliasing kernels produced by the calibration phase of parallel imaging methods such as GRAPPA, PARS and ARC. Methods Experiments were conducted to evaluate both the image quality and computational efficiency of the proposed method compared to a channel-by-channel parallel imaging approach with image-space sum-of-squares channel combination. Results Results indicate comparable image quality overall, with some very minor differences seen in reduced field-of-view imaging. It was demonstrated that this method enables a speed up in computation time on the order of 3–16X for 32-channel data sets. Conclusion The proposed method enables high quality channel combination to occur earlier in the reconstruction pipeline, reducing computational and memory requirements for image reconstruction. PMID:23943602

High speed sorting of Fusarium-damaged wheat kernels

USDA-ARS?s Scientific Manuscript database

Recent studies have found that resistance to Fusarium fungal infection can be inherited in wheat from one generation to another. However, there is not yet available a cost effective method to separate Fusarium-damaged wheat kernels from undamaged kernels so that wheat breeders can take advantage of...

Fine Mapping and Introgressing a Fissure Resistance Locus

USDA-ARS?s Scientific Manuscript database

Rice (Oryza sativa L.) kernel fissuring is a major concern of both rice producers and millers. Fissures are small cracks in rice kernels that increase breakage among kernels when transported or milled, which decrease the value of processed rice. This study employed molecular gene tagging methods to ...

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.

Carbothermic synthesis of 820 μm uranium nitride kernels: Literature review, thermodynamics, analysis, and related experiments

NASA Astrophysics Data System (ADS)

Lindemer, T. B.; Voit, S. L.; Silva, C. M.; Besmann, T. M.; Hunt, R. D.

2014-05-01

The US Department of Energy is developing a new nuclear fuel that would be less susceptible to ruptures during a loss-of-coolant accident. The fuel would consist of tristructural isotropic coated particles with uranium nitride (UN) kernels with diameters near 825 μm. This effort explores factors involved in the conversion of uranium oxide-carbon microspheres into UN kernels. An analysis of previous studies with sufficient experimental details is provided. Thermodynamic calculations were made to predict pressures of carbon monoxide and other relevant gases for several reactions that can be involved in the conversion of uranium oxides and carbides into UN. Uranium oxide-carbon microspheres were heated in a microbalance with an attached mass spectrometer to determine details of calcining and carbothermic conversion in argon, nitrogen, and vacuum. A model was derived from experiments on the vacuum conversion to uranium oxide-carbide kernels. UN-containing kernels were fabricated using this vacuum conversion as part of the overall process. Carbonitride kernels of ∼89% of theoretical density were produced along with several observations concerning the different stages of the process.

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

Haugen, Carl C.; Forget, Benoit; Smith, Kord S.

Most high performance computing systems being deployed currently and envisioned for the future are based on making use of heavy parallelism across many computational nodes and many concurrent cores. These types of heavily parallel systems often have relatively little memory per core but large amounts of computing capability. This places a significant constraint on how data storage is handled in many Monte Carlo codes. This is made even more significant in fully coupled multiphysics simulations, which requires simulations of many physical phenomena be carried out concurrently on individual processing nodes, which further reduces the amount of memory available for storagemore » of Monte Carlo data. As such, there has been a move towards on-the-fly nuclear data generation to reduce memory requirements associated with interpolation between pre-generated large nuclear data tables for a selection of system temperatures. Methods have been previously developed and implemented in MIT’s OpenMC Monte Carlo code for both the resolved resonance regime and the unresolved resonance regime, but are currently absent for the thermal energy regime. While there are many components involved in generating a thermal neutron scattering cross section on-the-fly, this work will focus on a proposed method for determining the energy and direction of a neutron after a thermal incoherent inelastic scattering event. This work proposes a rejection sampling based method using the thermal scattering kernel to determine the correct outgoing energy and angle. The goal of this project is to be able to treat the full S (a, ß) kernel for graphite, to assist in high fidelity simulations of the TREAT reactor at Idaho National Laboratory. The method is, however, sufficiently general to be applicable in other thermal scattering materials, and can be initially validated with the continuous analytic free gas model.« less

Weighted Feature Gaussian Kernel SVM for Emotion Recognition

PubMed Central

Jia, Qingxuan

2016-01-01

Emotion recognition with weighted feature based on facial expression is a challenging research topic and has attracted great attention in the past few years. This paper presents a novel method, utilizing subregion recognition rate to weight kernel function. First, we divide the facial expression image into some uniform subregions and calculate corresponding recognition rate and weight. Then, we get a weighted feature Gaussian kernel function and construct a classifier based on Support Vector Machine (SVM). At last, the experimental results suggest that the approach based on weighted feature Gaussian kernel function has good performance on the correct rate in emotion recognition. The experiments on the extended Cohn-Kanade (CK+) dataset show that our method has achieved encouraging recognition results compared to the state-of-the-art methods. PMID:27807443

DNA sequence+shape kernel enables alignment-free modeling of transcription factor binding.

PubMed

Ma, Wenxiu; Yang, Lin; Rohs, Remo; Noble, William Stafford

2017-10-01

Transcription factors (TFs) bind to specific DNA sequence motifs. Several lines of evidence suggest that TF-DNA binding is mediated in part by properties of the local DNA shape: the width of the minor groove, the relative orientations of adjacent base pairs, etc. Several methods have been developed to jointly account for DNA sequence and shape properties in predicting TF binding affinity. However, a limitation of these methods is that they typically require a training set of aligned TF binding sites. We describe a sequence + shape kernel that leverages DNA sequence and shape information to better understand protein-DNA binding preference and affinity. This kernel extends an existing class of k-mer based sequence kernels, based on the recently described di-mismatch kernel. Using three in vitro benchmark datasets, derived from universal protein binding microarrays (uPBMs), genomic context PBMs (gcPBMs) and SELEX-seq data, we demonstrate that incorporating DNA shape information improves our ability to predict protein-DNA binding affinity. In particular, we observe that (i) the k-spectrum + shape model performs better than the classical k-spectrum kernel, particularly for small k values; (ii) the di-mismatch kernel performs better than the k-mer kernel, for larger k; and (iii) the di-mismatch + shape kernel performs better than the di-mismatch kernel for intermediate k values. The software is available at https://bitbucket.org/wenxiu/sequence-shape.git. rohs@usc.edu or william-noble@uw.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

AN EFFICIENT HIGHER-ORDER FAST MULTIPOLE BOUNDARY ELEMENT SOLUTION FOR POISSON-BOLTZMANN BASED MOLECULAR ELECTROSTATICS

PubMed Central

Bajaj, Chandrajit; Chen, Shun-Chuan; Rand, Alexander

2011-01-01

In order to compute polarization energy of biomolecules, we describe a boundary element approach to solving the linearized Poisson-Boltzmann equation. Our approach combines several important features including the derivative boundary formulation of the problem and a smooth approximation of the molecular surface based on the algebraic spline molecular surface. State of the art software for numerical linear algebra and the kernel independent fast multipole method is used for both simplicity and efficiency of our implementation. We perform a variety of computational experiments, testing our method on a number of actual proteins involved in molecular docking and demonstrating the effectiveness of our solver for computing molecular polarization energy. PMID:21660123

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

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

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.

TMD splitting functions in [Formula: see text] factorization: the real contribution to the gluon-to-gluon splitting.

PubMed

Hentschinski, M; Kusina, A; Kutak, K; Serino, M

2018-01-01

We calculate the transverse momentum dependent gluon-to-gluon splitting function within [Formula: see text]-factorization, generalizing the framework employed in the calculation of the quark splitting functions in Hautmann et al. (Nucl Phys B 865:54-66, arXiv:1205.1759, 2012), Gituliar et al. (JHEP 01:181, arXiv:1511.08439, 2016), Hentschinski et al. (Phys Rev D 94(11):114013, arXiv:1607.01507, 2016) and demonstrate at the same time the consistency of the extended formalism with previous results. While existing versions of [Formula: see text] factorized evolution equations contain already a gluon-to-gluon splitting function i.e. the leading order Balitsky-Fadin-Kuraev-Lipatov (BFKL) kernel or the Ciafaloni-Catani-Fiorani-Marchesini (CCFM) kernel, the obtained splitting function has the important property that it reduces both to the leading order BFKL kernel in the high energy limit, to the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) gluon-to-gluon splitting function in the collinear limit as well as to the CCFM kernel in the soft limit. At the same time we demonstrate that this splitting kernel can be obtained from a direct calculation of the QCD Feynman diagrams, based on a combined implementation of the Curci-Furmanski-Petronzio formalism for the calculation of the collinear splitting functions and the framework of high energy factorization.

A nonlinear quality-related fault detection approach based on modified kernel partial least squares.

PubMed

Jiao, Jianfang; Zhao, Ning; Wang, Guang; Yin, Shen

2017-01-01

In this paper, a new nonlinear quality-related fault detection method is proposed based on kernel partial least squares (KPLS) model. To deal with the nonlinear characteristics among process variables, the proposed method maps these original variables into feature space in which the linear relationship between kernel matrix and output matrix is realized by means of KPLS. Then the kernel matrix is decomposed into two orthogonal parts by singular value decomposition (SVD) and the statistics for each part are determined appropriately for the purpose of quality-related fault detection. Compared with relevant existing nonlinear approaches, the proposed method has the advantages of simple diagnosis logic and stable performance. A widely used literature example and an industrial process are used for the performance evaluation for the proposed method. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Volterra series truncation and kernel estimation of nonlinear systems in the frequency domain

NASA Astrophysics Data System (ADS)

Zhang, B.; Billings, S. A.

2017-02-01

The Volterra series model is a direct generalisation of the linear convolution integral and is capable of displaying the intrinsic features of a nonlinear system in a simple and easy to apply way. Nonlinear system analysis using Volterra series is normally based on the analysis of its frequency-domain kernels and a truncated description. But the estimation of Volterra kernels and the truncation of Volterra series are coupled with each other. In this paper, a novel complex-valued orthogonal least squares algorithm is developed. The new algorithm provides a powerful tool to determine which terms should be included in the Volterra series expansion and to estimate the kernels and thus solves the two problems all together. The estimated results are compared with those determined using the analytical expressions of the kernels to validate the method. To further evaluate the effectiveness of the method, the physical parameters of the system are also extracted from the measured kernels. Simulation studies demonstrates that the new approach not only can truncate the Volterra series expansion and estimate the kernels of a weakly nonlinear system, but also can indicate the applicability of the Volterra series analysis in a severely nonlinear system case.

On supervised graph Laplacian embedding CA model & kernel construction and its application

NASA Astrophysics Data System (ADS)

Zeng, Junwei; Qian, Yongsheng; Wang, Min; Yang, Yongzhong

2017-01-01

There are many methods to construct kernel with given data attribute information. Gaussian radial basis function (RBF) kernel is one of the most popular ways to construct a kernel. The key observation is that in real-world data, besides the data attribute information, data label information also exists, which indicates the data class. In order to make use of both data attribute information and data label information, in this work, we propose a supervised kernel construction method. Supervised information from training data is integrated into standard kernel construction process to improve the discriminative property of resulting kernel. A supervised Laplacian embedding cellular automaton model is another key application developed for two-lane heterogeneous traffic flow with the safe distance and large-scale truck. Based on the properties of traffic flow in China, we re-calibrate the cell length, velocity, random slowing mechanism and lane-change conditions and use simulation tests to study the relationships among the speed, density and flux. The numerical results show that the large-scale trucks will have great effects on the traffic flow, which are relevant to the proportion of the large-scale trucks, random slowing rate and the times of the lane space change.

Scuba: scalable kernel-based gene prioritization.

PubMed

Zampieri, Guido; Tran, Dinh Van; Donini, Michele; Navarin, Nicolò; Aiolli, Fabio; Sperduti, Alessandro; Valle, Giorgio

2018-01-25

The uncovering of genes linked to human diseases is a pressing challenge in molecular biology and precision medicine. This task is often hindered by the large number of candidate genes and by the heterogeneity of the available information. Computational methods for the prioritization of candidate genes can help to cope with these problems. In particular, kernel-based methods are a powerful resource for the integration of heterogeneous biological knowledge, however, their practical implementation is often precluded by their limited scalability. We propose Scuba, a scalable kernel-based method for gene prioritization. It implements a novel multiple kernel learning approach, based on a semi-supervised perspective and on the optimization of the margin distribution. Scuba is optimized to cope with strongly unbalanced settings where known disease genes are few and large scale predictions are required. Importantly, it is able to efficiently deal both with a large amount of candidate genes and with an arbitrary number of data sources. As a direct consequence of scalability, Scuba integrates also a new efficient strategy to select optimal kernel parameters for each data source. We performed cross-validation experiments and simulated a realistic usage setting, showing that Scuba outperforms a wide range of state-of-the-art methods. Scuba achieves state-of-the-art performance and has enhanced scalability compared to existing kernel-based approaches for genomic data. This method can be useful to prioritize candidate genes, particularly when their number is large or when input data is highly heterogeneous. The code is freely available at https://github.com/gzampieri/Scuba .

Cross-domain question classification in community question answering via kernel mapping

NASA Astrophysics Data System (ADS)

Su, Lei; Hu, Zuoliang; Yang, Bin; Li, Yiyang; Chen, Jun

2015-10-01

An increasingly popular method for retrieving information is via the community question answering (CQA) systems such as Yahoo! Answers and Baidu Knows. In CQA, question classification plays an important role to find the answers. However, the labeled training examples for statistical question classifier are fairly expensive to obtain, as they require the experienced human efforts. Meanwhile, unlabeled data are readily available. This paper employs the method of domain adaptation via kernel mapping to solve this problem. In detail, the kernel approach is utilized to map the target-domain data and the source-domain data into a common space, where the question classifiers are trained under the closer conditional probabilities. The kernel mapping function is constructed by domain knowledge. Therefore, domain knowledge could be transferred from the labeled examples in the source domain to the unlabeled ones in the targeted domain. The statistical training model can be improved by using a large number of unlabeled data. Meanwhile, the Hadoop Platform is used to construct the mapping mechanism to reduce the time complexity. Map/Reduce enable kernel mapping for domain adaptation in parallel in the Hadoop Platform. Experimental results show that the accuracy of question classification could be improved by the method of kernel mapping. Furthermore, the parallel method in the Hadoop Platform could effective schedule the computing resources to reduce the running time.

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.

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

Krueger, Jens; Micikevicius, Paulius; Williams, Samuel

Reverse Time Migration (RTM) is one of the main approaches in the seismic processing industry for imaging the subsurface structure of the Earth. While RTM provides qualitative advantages over its predecessors, it has a high computational cost warranting implementation on HPC architectures. We focus on three progressively more complex kernels extracted from RTM: for isotropic (ISO), vertical transverse isotropic (VTI) and tilted transverse isotropic (TTI) media. In this work, we examine performance optimization of forward wave modeling, which describes the computational kernels used in RTM, on emerging multi- and manycore processors and introduce a novel common subexpression elimination optimization formore » TTI kernels. We compare attained performance and energy efficiency in both the single-node and distributed memory environments in order to satisfy industry’s demands for fidelity, performance, and energy efficiency. Moreover, we discuss the interplay between architecture (chip and system) and optimizations (both on-node computation) highlighting the importance of NUMA-aware approaches to MPI communication. Ultimately, our results show we can improve CPU energy efficiency by more than 10× on Magny Cours nodes while acceleration via multiple GPUs can surpass the energy-efficient Intel Sandy Bridge by as much as 3.6×.« less

Nondestructive In Situ Measurement Method for Kernel Moisture Content in Corn Ear.

PubMed

Zhang, Han-Lin; Ma, Qin; Fan, Li-Feng; Zhao, Peng-Fei; Wang, Jian-Xu; Zhang, Xiao-Dong; Zhu, De-Hai; Huang, Lan; Zhao, Dong-Jie; Wang, Zhong-Yi

2016-12-20

Moisture content is an important factor in corn breeding and cultivation. A corn breed with low moisture at harvest is beneficial for mechanical operations, reduces drying and storage costs after harvesting and, thus, reduces energy consumption. Nondestructive measurement of kernel moisture in an intact corn ear allows us to select corn varieties with seeds that have high dehydration speeds in the mature period. We designed a sensor using a ring electrode pair for nondestructive measurement of the kernel moisture in a corn ear based on a high-frequency detection circuit. Through experiments using the effective scope of the electrodes' electric field, we confirmed that the moisture in the corn cob has little effect on corn kernel moisture measurement. Before the sensor was applied in practice, we investigated temperature and conductivity effects on the output impedance. Results showed that the temperature was linearly related to the output impedance (both real and imaginary parts) of the measurement electrodes and the detection circuit's output voltage. However, the conductivity has a non-monotonic dependence on the output impedance (both real and imaginary parts) of the measurement electrodes and the output voltage of the high-frequency detection circuit. Therefore, we reduced the effect of conductivity on the measurement results through measurement frequency selection. Corn moisture measurement results showed a quadric regression between corn ear moisture and the imaginary part of the output impedance, and there is also a quadric regression between corn kernel moisture and the high-frequency detection circuit output voltage at 100 MHz. In this study, two corn breeds were measured using our sensor and gave R ² values for the quadric regression equation of 0.7853 and 0.8496.

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.

Error and Complexity Analysis for a Collocation-Grid-Projection Plus Precorrected-FFT Algorithm for Solving Potential Integral Equations with LaPlace or Helmholtz Kernels

NASA Technical Reports Server (NTRS)

Phillips, J. R.

1996-01-01

In this paper we derive error bounds for a collocation-grid-projection scheme tuned for use in multilevel methods for solving boundary-element discretizations of potential integral equations. The grid-projection scheme is then combined with a precorrected FFT style multilevel method for solving potential integral equations with 1/r and e(sup ikr)/r kernels. A complexity analysis of this combined method is given to show that for homogeneous problems, the method is order n natural log n nearly independent of the kernel. In addition, it is shown analytically and experimentally that for an inhomogeneity generated by a very finely discretized surface, the combined method slows to order n(sup 4/3). Finally, examples are given to show that the collocation-based grid-projection plus precorrected-FFT scheme is competitive with fast-multipole algorithms when considering realistic problems and 1/r kernels, but can be used over a range of spatial frequencies with only a small performance penalty.

Stochastic Gravity: Theory and Applications.

PubMed

Hu, Bei Lok; Verdaguer, Enric

2004-01-01

Whereas semiclassical gravity is based on the semiclassical Einstein equation with sources given by the expectation value of the stress-energy tensor of quantum fields, stochastic semiclassical gravity is based on the Einstein-Langevin equation, which has in addition sources due to the noise kernel. The noise kernel is the vacuum expectation value of the (operatorvalued) stress-energy bi-tensor which describes the fluctuations of quantum matter fields in curved spacetimes. In the first part, we describe the fundamentals of this new theory via two approaches: the axiomatic and the functional. The axiomatic approach is useful to see the structure of the theory from the framework of semiclassical gravity, showing the link from the mean value of the stress-energy tensor to their correlation functions. The functional approach uses the Feynman-Vernon influence functional and the Schwinger-Keldysh closed-time-path effective action methods which are convenient for computations. It also brings out the open systems concepts and the statistical and stochastic contents of the theory such as dissipation, fluctuations, noise, and decoherence. We then focus on the properties of the stress-energy bi-tensor. We obtain a general expression for the noise kernel of a quantum field defined at two distinct points in an arbitrary curved spacetime as products of covariant derivatives of the quantum field's Green function. In the second part, we describe three applications of stochastic gravity theory. First, we consider metric perturbations in a Minkowski spacetime. We offer an analytical solution of the Einstein-Langevin equation and compute the two-point correlation functions for the linearized Einstein tensor and for the metric perturbations. Second, we discuss structure formation from the stochastic gravity viewpoint, which can go beyond the standard treatment by incorporating the full quantum effect of the inflaton fluctuations. Third, we discuss the backreaction of Hawking radiation in the gravitational background of a quasi-static black hole (enclosed in a box). We derive a fluctuation-dissipation relation between the fluctuations in the radiation and the dissipative dynamics of metric fluctuations.

Automatic classification of retinal three-dimensional optical coherence tomography images using principal component analysis network with composite kernels

NASA Astrophysics Data System (ADS)

Fang, Leyuan; Wang, Chong; Li, Shutao; Yan, Jun; Chen, Xiangdong; Rabbani, Hossein

2017-11-01

We present an automatic method, termed as the principal component analysis network with composite kernel (PCANet-CK), for the classification of three-dimensional (3-D) retinal optical coherence tomography (OCT) images. Specifically, the proposed PCANet-CK method first utilizes the PCANet to automatically learn features from each B-scan of the 3-D retinal OCT images. Then, multiple kernels are separately applied to a set of very important features of the B-scans and these kernels are fused together, which can jointly exploit the correlations among features of the 3-D OCT images. Finally, the fused (composite) kernel is incorporated into an extreme learning machine for the OCT image classification. We tested our proposed algorithm on two real 3-D spectral domain OCT (SD-OCT) datasets (of normal subjects and subjects with the macular edema and age-related macular degeneration), which demonstrated its effectiveness.

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.

Application of kernel functions for accurate similarity search in large chemical databases.

PubMed

Wang, Xiaohong; Huan, Jun; Smalter, Aaron; Lushington, Gerald H

2010-04-29

Similarity search in chemical structure databases is an important problem with many applications in chemical genomics, drug design, and efficient chemical probe screening among others. It is widely believed that structure based methods provide an efficient way to do the query. Recently various graph kernel functions have been designed to capture the intrinsic similarity of graphs. Though successful in constructing accurate predictive and classification models, graph kernel functions can not be applied to large chemical compound database due to the high computational complexity and the difficulties in indexing similarity search for large databases. To bridge graph kernel function and similarity search in chemical databases, we applied a novel kernel-based similarity measurement, developed in our team, to measure similarity of graph represented chemicals. In our method, we utilize a hash table to support new graph kernel function definition, efficient storage and fast search. We have applied our method, named G-hash, to large chemical databases. Our results show that the G-hash method achieves state-of-the-art performance for k-nearest neighbor (k-NN) classification. Moreover, the similarity measurement and the index structure is scalable to large chemical databases with smaller indexing size, and faster query processing time as compared to state-of-the-art indexing methods such as Daylight fingerprints, C-tree and GraphGrep. Efficient similarity query processing method for large chemical databases is challenging since we need to balance running time efficiency and similarity search accuracy. Our previous similarity search method, G-hash, provides a new way to perform similarity search in chemical databases. Experimental study validates the utility of G-hash in chemical databases.

Sensitivities Kernels of Seismic Traveltimes and Amplitudes for Quality Factor and Boundary Topography

NASA Astrophysics Data System (ADS)

Hsieh, M.; Zhao, L.; Ma, K.

2010-12-01

Finite-frequency approach enables seismic tomography to fully utilize the spatial and temporal distributions of the seismic wavefield to improve resolution. In achieving this goal, one of the most important tasks is to compute efficiently and accurately the (Fréchet) sensitivity kernels of finite-frequency seismic observables such as traveltime and amplitude to the perturbations of model parameters. In scattering-integral approach, the Fréchet kernels are expressed in terms of the strain Green tensors (SGTs), and a pre-established SGT database is necessary to achieve practical efficiency for a three-dimensional reference model in which the SGTs must be calculated numerically. Methods for computing Fréchet kernels for seismic velocities have long been established. In this study, we develop algorithms based on the finite-difference method for calculating Fréchet kernels for the quality factor Qμ and seismic boundary topography. Kernels for the quality factor can be obtained in a way similar to those for seismic velocities with the help of the Hilbert transform. The effects of seismic velocities and quality factor on either traveltime or amplitude are coupled. Kernels for boundary topography involve spatial gradient of the SGTs and they also exhibit interesting finite-frequency characteristics. Examples of quality factor and boundary topography kernels will be shown for a realistic model for the Taiwan region with three-dimensional velocity variation as well as surface and Moho discontinuity topography.

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

Super-resolution fusion of complementary panoramic images based on cross-selection kernel regression interpolation.

PubMed

Chen, Lidong; Basu, Anup; Zhang, Maojun; Wang, Wei; Liu, Yu

2014-03-20

A complementary catadioptric imaging technique was proposed to solve the problem of low and nonuniform resolution in omnidirectional imaging. To enhance this research, our paper focuses on how to generate a high-resolution panoramic image from the captured omnidirectional image. To avoid the interference between the inner and outer images while fusing the two complementary views, a cross-selection kernel regression method is proposed. First, in view of the complementarity of sampling resolution in the tangential and radial directions between the inner and the outer images, respectively, the horizontal gradients in the expected panoramic image are estimated based on the scattered neighboring pixels mapped from the outer, while the vertical gradients are estimated using the inner image. Then, the size and shape of the regression kernel are adaptively steered based on the local gradients. Furthermore, the neighboring pixels in the next interpolation step of kernel regression are also selected based on the comparison between the horizontal and vertical gradients. In simulation and real-image experiments, the proposed method outperforms existing kernel regression methods and our previous wavelet-based fusion method in terms of both visual quality and objective evaluation.

A method of smoothed particle hydrodynamics using spheroidal kernels

NASA Technical Reports Server (NTRS)

Fulbright, Michael S.; Benz, Willy; Davies, Melvyn B.

1995-01-01

We present a new method of three-dimensional smoothed particle hydrodynamics (SPH) designed to model systems dominated by deformation along a preferential axis. These systems cause severe problems for SPH codes using spherical kernels, which are best suited for modeling systems which retain rough spherical symmetry. Our method allows the smoothing length in the direction of the deformation to evolve independently of the smoothing length in the perpendicular plane, resulting in a kernel with a spheroidal shape. As a result the spatial resolution in the direction of deformation is significantly improved. As a test case we present the one-dimensional homologous collapse of a zero-temperature, uniform-density cloud, which serves to demonstrate the advantages of spheroidal kernels. We also present new results on the problem of the tidal disruption of a star by a massive black hole.

THERMOS. 30-Group ENDF/B Scattered Kernels

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

McCrosson, F.J.; Finch, D.R.

1973-12-01

These data are 30-group THERMOS thermal scattering kernels for P0 to P5 Legendre orders for every temperature of every material from s(alpha,beta) data stored in the ENDF/B library. These scattering kernels were generated using the FLANGE2 computer code. To test the kernels, the integral properties of each set of kernels were determined by a precision integration of the diffusion length equation and compared to experimental measurements of these properties. In general, the agreement was very good. Details of the methods used and results obtained are contained in the reference. The scattering kernels are organized into a two volume magnetic tapemore » library from which they may be retrieved easily for use in any 30-group THERMOS library.« less

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.

A Network-Based Kernel Machine Test for the Identification of Risk Pathways in Genome-Wide Association Studies

PubMed Central

Freytag, Saskia; Manitz, Juliane; Schlather, Martin; Kneib, Thomas; Amos, Christopher I.; Risch, Angela; Chang-Claude, Jenny; Heinrich, Joachim; Bickeböller, Heike

2014-01-01

Biological pathways provide rich information and biological context on the genetic causes of complex diseases. The logistic kernel machine test integrates prior knowledge on pathways in order to analyze data from genome-wide association studies (GWAS). Here, the kernel converts genomic information of two individuals to a quantitative value reflecting their genetic similarity. With the selection of the kernel one implicitly chooses a genetic effect model. Like many other pathway methods, none of the available kernels accounts for topological structure of the pathway or gene-gene interaction types. However, evidence indicates that connectivity and neighborhood of genes are crucial in the context of GWAS, because genes associated with a disease often interact. Thus, we propose a novel kernel that incorporates the topology of pathways and information on interactions. Using simulation studies, we demonstrate that the proposed method maintains the type I error correctly and can be more effective in the identification of pathways associated with a disease than non-network-based methods. We apply our approach to genome-wide association case control data on lung cancer and rheumatoid arthritis. We identify some promising new pathways associated with these diseases, which may improve our current understanding of the genetic mechanisms. PMID:24434848

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.

A kernel function method for computing steady and oscillatory supersonic aerodynamics with interference.

NASA Technical Reports Server (NTRS)

Cunningham, A. M., Jr.

1973-01-01

The method presented uses a collocation technique with the nonplanar kernel function to solve supersonic lifting surface problems with and without interference. A set of pressure functions are developed based on conical flow theory solutions which account for discontinuities in the supersonic pressure distributions. These functions permit faster solution convergence than is possible with conventional supersonic pressure functions. An improper integral of a 3/2 power singularity along the Mach hyperbola of the nonplanar supersonic kernel function is described and treated. The method is compared with other theories and experiment for a variety of cases.

Oscillatory supersonic kernel function method for interfering surfaces

NASA Technical Reports Server (NTRS)

Cunningham, A. M., Jr.

1974-01-01

In the method presented in this paper, a collocation technique is used with the nonplanar supersonic kernel function to solve multiple lifting surface problems with interference in steady or oscillatory flow. The pressure functions used are based on conical flow theory solutions and provide faster solution convergence than is possible with conventional functions. In the application of the nonplanar supersonic kernel function, an improper integral of a 3/2 power singularity along the Mach hyperbola is described and treated. The method is compared with other theories and experiment for two wing-tail configurations in steady and oscillatory flow.

The Continuized Log-Linear Method: An Alternative to the Kernel Method of Continuization in Test Equating

ERIC Educational Resources Information Center

Wang, Tianyou

2008-01-01

Von Davier, Holland, and Thayer (2004) laid out a five-step framework of test equating that can be applied to various data collection designs and equating methods. In the continuization step, they presented an adjusted Gaussian kernel method that preserves the first two moments. This article proposes an alternative continuization method that…

Moisture Adsorption Isotherm and Storability of Hazelnut Inshells and Kernels Produced in Oregon, USA.

PubMed

Jung, Jooyeoun; Wang, Wenjie; McGorrin, Robert J; Zhao, Yanyun

2018-02-01

Moisture adsorption isotherms and storability of dried hazelnut inshells and kernels produced in Oregon were evaluated and compared among cultivars, including Barcelona, Yamhill, and Jefferson. Experimental moisture adsorption data fitted to Guggenheim-Anderson-de Boer (GAB) model, showing less hygroscopic properties in Yamhill than other cultivars of inshells and kernels due to lower content of carbohydrate and protein, but higher content of fat. The safe levels of moisture content (MC, dry basis) of dried inshells and kernels for reaching kernel water activity (a w ) ≤0.65 were estimated using the GAB model as 11.3% and 5.0% for Barcelona, 9.4% and 4.2% for Yamhill, and 10.7% and 4.9% for Jefferson, respectively. Storage conditions (2 °C at 85% to 95% relative humidity [RH], 10 °C at 65% to 75% RH, and 27 °C at 35% to 45% RH), times (0, 4, 8, or 12 mo), and packaging methods (atmosphere vs. vacuum) affected MC, a w , bioactive compounds, lipid oxidation, and enzyme activity of dried hazelnut inshells or kernels. For inshells packaged at woven polypropylene bag, MC and a w of inshells and kernels (inside shells) increased at 2 and 10 °C, but decreased at 27 °C during storage. For kernels, lipid oxidation and polyphenol oxidase activity also increased with extended storage time (P < 0.05), and MC and a w of vacuum packaged samples were more stable during storage than those atmospherically packaged ones. Principal component analysis showed correlation of kernel qualities with storage condition, time, and packaging method. This study demonstrated that the ideal storage condition or packaging method varied among cultivars due to their different moisture adsorption and physicochemical and enzymatic stability during storage. Moisture adsorption isotherm of hazelnut inshells and kernels is useful for predicting the storability of nuts. This study found that water adsorption and storability varied among the different cultivars of nuts, in which Yamhill was less hygroscopic than Barcelona and Jefferson, thus more stable during storage. For ensuring food safety and quality of nuts during storage, each cultivar of kernels should be dried to a certain level of MC. Lipid oxidation and enzyme activity of kernel could be increased with extended storage time. Vacuum packaging was recommended to kernels for reducing moisture adsorption during storage. © 2018 Institute of Food Technologists®.

Congested Aggregation via Newtonian Interaction

NASA Astrophysics Data System (ADS)

Craig, Katy; Kim, Inwon; Yao, Yao

2018-01-01

We consider a congested aggregation model that describes the evolution of a density through the competing effects of nonlocal Newtonian attraction and a hard height constraint. This provides a counterpoint to existing literature on repulsive-attractive nonlocal interaction models, where the repulsive effects instead arise from an interaction kernel or the addition of diffusion. We formulate our model as the Wasserstein gradient flow of an interaction energy, with a penalization to enforce the constraint on the height of the density. From this perspective, the problem can be seen as a singular limit of the Keller-Segel equation with degenerate diffusion. Two key properties distinguish our problem from previous work on height constrained equations: nonconvexity of the interaction kernel (which places the model outside the scope of classical gradient flow theory) and nonlocal dependence of the velocity field on the density (which causes the problem to lack a comparison principle). To overcome these obstacles, we combine recent results on gradient flows of nonconvex energies with viscosity solution theory. We characterize the dynamics of patch solutions in terms of a Hele-Shaw type free boundary problem and, using this characterization, show that in two dimensions patch solutions converge to a characteristic function of a disk in the long-time limit, with an explicit rate on the decay of the energy. We believe that a key contribution of the present work is our blended approach, combining energy methods with viscosity solution theory.

Protein Analysis Meets Visual Word Recognition: A Case for String Kernels in the Brain

ERIC Educational Resources Information Center

Hannagan, Thomas; Grainger, Jonathan

2012-01-01

It has been recently argued that some machine learning techniques known as Kernel methods could be relevant for capturing cognitive and neural mechanisms (Jakel, Scholkopf, & Wichmann, 2009). We point out that "String kernels," initially designed for protein function prediction and spam detection, are virtually identical to one contending proposal…

Bands selection and classification of hyperspectral images based on hybrid kernels SVM by evolutionary algorithm

NASA Astrophysics Data System (ADS)

Hu, Yan-Yan; Li, Dong-Sheng

2016-01-01

The hyperspectral images(HSI) consist of many closely spaced bands carrying the most object information. While due to its high dimensionality and high volume nature, it is hard to get satisfactory classification performance. In order to reduce HSI data dimensionality preparation for high classification accuracy, it is proposed to combine a band selection method of artificial immune systems (AIS) with a hybrid kernels support vector machine (SVM-HK) algorithm. In fact, after comparing different kernels for hyperspectral analysis, the approach mixed radial basis function kernel (RBF-K) with sigmoid kernel (Sig-K) and applied the optimized hybrid kernels in SVM classifiers. Then the SVM-HK algorithm used to induce the bands selection of an improved version of AIS. The AIS was composed of clonal selection and elite antibody mutation, including evaluation process with optional index factor (OIF). Experimental classification performance was on a San Diego Naval Base acquired by AVIRIS, the HRS dataset shows that the method is able to efficiently achieve bands redundancy removal while outperforming the traditional SVM classifier.

Fully-Automated High-Throughput NMR System for Screening of Haploid Kernels of Maize (Corn) by Measurement of Oil Content

PubMed Central

Xu, Xiaoping; Huang, Qingming; Chen, Shanshan; Yang, Peiqiang; Chen, Shaojiang; Song, Yiqiao

2016-01-01

One of the modern crop breeding techniques uses doubled haploid plants that contain an identical pair of chromosomes in order to accelerate the breeding process. Rapid haploid identification method is critical for large-scale selections of double haploids. The conventional methods based on the color of the endosperm and embryo seeds are slow, manual and prone to error. On the other hand, there exists a significant difference between diploid and haploid seeds generated by high oil inducer, which makes it possible to use oil content to identify the haploid. This paper describes a fully-automated high-throughput NMR screening system for maize haploid kernel identification. The system is comprised of a sampler unit to select a single kernel to feed for measurement of NMR and weight, and a kernel sorter to distribute the kernel according to the measurement result. Tests of the system show a consistent accuracy of 94% with an average screening time of 4 seconds per kernel. Field test result is described and the directions for future improvement are discussed. PMID:27454427

Unsupervised multiple kernel learning for heterogeneous data integration.

PubMed

Mariette, Jérôme; Villa-Vialaneix, Nathalie

2018-03-15

Recent high-throughput sequencing advances have expanded the breadth of available omics datasets and the integrated analysis of multiple datasets obtained on the same samples has allowed to gain important insights in a wide range of applications. However, the integration of various sources of information remains a challenge for systems biology since produced datasets are often of heterogeneous types, with the need of developing generic methods to take their different specificities into account. We propose a multiple kernel framework that allows to integrate multiple datasets of various types into a single exploratory analysis. Several solutions are provided to learn either a consensus meta-kernel or a meta-kernel that preserves the original topology of the datasets. We applied our framework to analyse two public multi-omics datasets. First, the multiple metagenomic datasets, collected during the TARA Oceans expedition, was explored to demonstrate that our method is able to retrieve previous findings in a single kernel PCA as well as to provide a new image of the sample structures when a larger number of datasets are included in the analysis. To perform this analysis, a generic procedure is also proposed to improve the interpretability of the kernel PCA in regards with the original data. Second, the multi-omics breast cancer datasets, provided by The Cancer Genome Atlas, is analysed using a kernel Self-Organizing Maps with both single and multi-omics strategies. The comparison of these two approaches demonstrates the benefit of our integration method to improve the representation of the studied biological system. Proposed methods are available in the R package mixKernel, released on CRAN. It is fully compatible with the mixOmics package and a tutorial describing the approach can be found on mixOmics web site http://mixomics.org/mixkernel/. jerome.mariette@inra.fr or nathalie.villa-vialaneix@inra.fr. Supplementary data are available at Bioinformatics online.

Characterization of non-diffusive transport in plasma turbulence by means of flux-gradient integro-differential kernels

NASA Astrophysics Data System (ADS)

Alcuson, J. A.; Reynolds-Barredo, J. M.; Mier, J. A.; Sanchez, Raul; Del-Castillo-Negrete, Diego; Newman, David E.; Tribaldos, V.

2015-11-01

A method to determine fractional transport exponents in systems dominated by fluid or plasma turbulence is proposed. The method is based on the estimation of the integro-differential kernel that relates values of the fluxes and gradients of the transported field, and its comparison with the family of analytical kernels of the linear fractional transport equation. Although use of this type of kernels has been explored before in this context, the methodology proposed here is rather unique since the connection with specific fractional equations is exploited from the start. The procedure has been designed to be particularly well-suited for application in experimental setups, taking advantage of the fact that kernel determination only requires temporal data of the transported field measured on an Eulerian grid. The simplicity and robustness of the method is tested first by using fabricated data from continuous-time random walk models built with prescribed transport characteristics. Its strengths are then illustrated on numerical Eulerian data gathered from simulations of a magnetically confined turbulent plasma in a near-critical regime, that is known to exhibit superdiffusive radial transport

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.

CompareSVM: supervised, Support Vector Machine (SVM) inference of gene regularity networks.

PubMed

Gillani, Zeeshan; Akash, Muhammad Sajid Hamid; Rahaman, M D Matiur; Chen, Ming

2014-11-30

Predication of gene regularity network (GRN) from expression data is a challenging task. There are many methods that have been developed to address this challenge ranging from supervised to unsupervised methods. Most promising methods are based on support vector machine (SVM). There is a need for comprehensive analysis on prediction accuracy of supervised method SVM using different kernels on different biological experimental conditions and network size. We developed a tool (CompareSVM) based on SVM to compare different kernel methods for inference of GRN. Using CompareSVM, we investigated and evaluated different SVM kernel methods on simulated datasets of microarray of different sizes in detail. The results obtained from CompareSVM showed that accuracy of inference method depends upon the nature of experimental condition and size of the network. For network with nodes (<200) and average (over all sizes of networks), SVM Gaussian kernel outperform on knockout, knockdown, and multifactorial datasets compared to all the other inference methods. For network with large number of nodes (~500), choice of inference method depend upon nature of experimental condition. CompareSVM is available at http://bis.zju.edu.cn/CompareSVM/ .

On one solution of Volterra integral equations of second kind

NASA Astrophysics Data System (ADS)

Myrhorod, V.; Hvozdeva, I.

2016-10-01

A solution of Volterra integral equations of the second kind with separable and difference kernels based on solutions of corresponding equations linking the kernel and resolvent is suggested. On the basis of a discrete functions class, the equations linking the kernel and resolvent are obtained and the methods of their analytical solutions are proposed. A mathematical model of the gas-turbine engine state modification processes in the form of Volterra integral equation of the second kind with separable kernel is offered.

Graph wavelet alignment kernels for drug virtual screening.

PubMed

Smalter, Aaron; Huan, Jun; Lushington, Gerald

2009-06-01

In this paper, we introduce a novel statistical modeling technique for target property prediction, with applications to virtual screening and drug design. In our method, we use graphs to model chemical structures and apply a wavelet analysis of graphs to summarize features capturing graph local topology. We design a novel graph kernel function to utilize the topology features to build predictive models for chemicals via Support Vector Machine classifier. We call the new graph kernel a graph wavelet-alignment kernel. We have evaluated the efficacy of the wavelet-alignment kernel using a set of chemical structure-activity prediction benchmarks. Our results indicate that the use of the kernel function yields performance profiles comparable to, and sometimes exceeding that of the existing state-of-the-art chemical classification approaches. In addition, our results also show that the use of wavelet functions significantly decreases the computational costs for graph kernel computation with more than ten fold speedup.

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

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.

Multiple Kernel Learning with Random Effects for Predicting Longitudinal Outcomes and Data Integration

PubMed Central

Chen, Tianle; Zeng, Donglin

2015-01-01

Summary Predicting disease risk and progression is one of the main goals in many clinical research studies. Cohort studies on the natural history and etiology of chronic diseases span years and data are collected at multiple visits. Although kernel-based statistical learning methods are proven to be powerful for a wide range of disease prediction problems, these methods are only well studied for independent data but not for longitudinal data. It is thus important to develop time-sensitive prediction rules that make use of the longitudinal nature of the data. In this paper, we develop a novel statistical learning method for longitudinal data by introducing subject-specific short-term and long-term latent effects through a designed kernel to account for within-subject correlation of longitudinal measurements. Since the presence of multiple sources of data is increasingly common, we embed our method in a multiple kernel learning framework and propose a regularized multiple kernel statistical learning with random effects to construct effective nonparametric prediction rules. Our method allows easy integration of various heterogeneous data sources and takes advantage of correlation among longitudinal measures to increase prediction power. We use different kernels for each data source taking advantage of the distinctive feature of each data modality, and then optimally combine data across modalities. We apply the developed methods to two large epidemiological studies, one on Huntington's disease and the other on Alzheimer's Disease (Alzheimer's Disease Neuroimaging Initiative, ADNI) where we explore a unique opportunity to combine imaging and genetic data to study prediction of mild cognitive impairment, and show a substantial gain in performance while accounting for the longitudinal aspect of the data. PMID:26177419

Flexibly imposing periodicity in kernel independent FMM: A multipole-to-local operator approach

NASA Astrophysics Data System (ADS)

Yan, Wen; Shelley, Michael

2018-02-01

An important but missing component in the application of the kernel independent fast multipole method (KIFMM) is the capability for flexibly and efficiently imposing singly, doubly, and triply periodic boundary conditions. In most popular packages such periodicities are imposed with the hierarchical repetition of periodic boxes, which may give an incorrect answer due to the conditional convergence of some kernel sums. Here we present an efficient method to properly impose periodic boundary conditions using a near-far splitting scheme. The near-field contribution is directly calculated with the KIFMM method, while the far-field contribution is calculated with a multipole-to-local (M2L) operator which is independent of the source and target point distribution. The M2L operator is constructed with the far-field portion of the kernel function to generate the far-field contribution with the downward equivalent source points in KIFMM. This method guarantees the sum of the near-field & far-field converge pointwise to results satisfying periodicity and compatibility conditions. The computational cost of the far-field calculation observes the same O (N) complexity as FMM and is designed to be small by reusing the data computed by KIFMM for the near-field. The far-field calculations require no additional control parameters, and observes the same theoretical error bound as KIFMM. We present accuracy and timing test results for the Laplace kernel in singly periodic domains and the Stokes velocity kernel in doubly and triply periodic domains.

Improved modeling of clinical data with kernel methods.

PubMed

Daemen, Anneleen; Timmerman, Dirk; Van den Bosch, Thierry; Bottomley, Cecilia; Kirk, Emma; Van Holsbeke, Caroline; Valentin, Lil; Bourne, Tom; De Moor, Bart

2012-02-01

Despite the rise of high-throughput technologies, clinical data such as age, gender and medical history guide clinical management for most diseases and examinations. To improve clinical management, available patient information should be fully exploited. This requires appropriate modeling of relevant parameters. When kernel methods are used, traditional kernel functions such as the linear kernel are often applied to the set of clinical parameters. These kernel functions, however, have their disadvantages due to the specific characteristics of clinical data, being a mix of variable types with each variable its own range. We propose a new kernel function specifically adapted to the characteristics of clinical data. The clinical kernel function provides a better representation of patients' similarity by equalizing the influence of all variables and taking into account the range r of the variables. Moreover, it is robust with respect to changes in r. Incorporated in a least squares support vector machine, the new kernel function results in significantly improved diagnosis, prognosis and prediction of therapy response. This is illustrated on four clinical data sets within gynecology, with an average increase in test area under the ROC curve (AUC) of 0.023, 0.021, 0.122 and 0.019, respectively. Moreover, when combining clinical parameters and expression data in three case studies on breast cancer, results improved overall with use of the new kernel function and when considering both data types in a weighted fashion, with a larger weight assigned to the clinical parameters. The increase in AUC with respect to a standard kernel function and/or unweighted data combination was maximum 0.127, 0.042 and 0.118 for the three case studies. For clinical data consisting of variables of different types, the proposed kernel function--which takes into account the type and range of each variable--has shown to be a better alternative for linear and non-linear classification problems. Copyright © 2011 Elsevier B.V. All rights reserved.

The utilization of endopower β in commercial feed which contains palm kernel cake on performance of broiler chicken

NASA Astrophysics Data System (ADS)

Purba, S. S. A.; Tafsin, M.; Ginting, S. P.; Khairani, Y.

2018-02-01

Palm kernel cake is an agricultural waste that can be used as raw material in the preparation of poultry rations. The design used was Completely Randomized Design (CRD) with 5 treatments and 4 replications. Level endopower β used 0 % (R0), 0.02% (R1), 0.04% (R2) and 0.06% (R3). The results showed that R0a and R0b were significantly different from R3 in terms of diet consumption, body weight gain and the conversion ratio The utilization of endopower β in commercial diets containing palm kernel cake in broilers can increase body weight gain, feed consumption, improve feed use efficiency and even energy. It is concluded that utilization endpower β improve performances of broiler chicken fed by diet containing palm kernel cake.

A Comparison of Kernel Equating and Traditional Equipercentile Equating Methods and the Parametric Bootstrap Methods for Estimating Standard Errors in Equipercentile Equating

ERIC Educational Resources Information Center

Choi, Sae Il

2009-01-01

This study used simulation (a) to compare the kernel equating method to traditional equipercentile equating methods under the equivalent-groups (EG) design and the nonequivalent-groups with anchor test (NEAT) design and (b) to apply the parametric bootstrap method for estimating standard errors of equating. A two-parameter logistic item response…

Credit scoring analysis using weighted k nearest neighbor

NASA Astrophysics Data System (ADS)

Mukid, M. A.; Widiharih, T.; Rusgiyono, A.; Prahutama, A.

2018-05-01

Credit scoring is a quatitative method to evaluate the credit risk of loan applications. Both statistical methods and artificial intelligence are often used by credit analysts to help them decide whether the applicants are worthy of credit. These methods aim to predict future behavior in terms of credit risk based on past experience of customers with similar characteristics. This paper reviews the weighted k nearest neighbor (WKNN) method for credit assessment by considering the use of some kernels. We use credit data from a private bank in Indonesia. The result shows that the Gaussian kernel and rectangular kernel have a better performance based on the value of percentage corrected classified whose value is 82.4% respectively.

Vis-NIR spectrometric determination of Brix and sucrose in sugar production samples using kernel partial least squares with interval selection based on the successive projections algorithm.

PubMed

de Almeida, Valber Elias; de Araújo Gomes, Adriano; de Sousa Fernandes, David Douglas; Goicoechea, Héctor Casimiro; Galvão, Roberto Kawakami Harrop; Araújo, Mario Cesar Ugulino

2018-05-01

This paper proposes a new variable selection method for nonlinear multivariate calibration, combining the Successive Projections Algorithm for interval selection (iSPA) with the Kernel Partial Least Squares (Kernel-PLS) modelling technique. The proposed iSPA-Kernel-PLS algorithm is employed in a case study involving a Vis-NIR spectrometric dataset with complex nonlinear features. The analytical problem consists of determining Brix and sucrose content in samples from a sugar production system, on the basis of transflectance spectra. As compared to full-spectrum Kernel-PLS, the iSPA-Kernel-PLS models involve a smaller number of variables and display statistically significant superiority in terms of accuracy and/or bias in the predictions. Published by Elsevier B.V.

Optimal Bandwidth Selection in Observed-Score Kernel Equating

ERIC Educational Resources Information Center

Häggström, Jenny; Wiberg, Marie

2014-01-01

The selection of bandwidth in kernel equating is important because it has a direct impact on the equated test scores. The aim of this article is to examine the use of double smoothing when selecting bandwidths in kernel equating and to compare double smoothing with the commonly used penalty method. This comparison was made using both an equivalent…

Gaussian process regression for geometry optimization

NASA Astrophysics Data System (ADS)

Denzel, Alexander; Kästner, Johannes

2018-03-01

We implemented a geometry optimizer based on Gaussian process regression (GPR) to find minimum structures on potential energy surfaces. We tested both a two times differentiable form of the Matérn kernel and the squared exponential kernel. The Matérn kernel performs much better. We give a detailed description of the optimization procedures. These include overshooting the step resulting from GPR in order to obtain a higher degree of interpolation vs. extrapolation. In a benchmark against the Limited-memory Broyden-Fletcher-Goldfarb-Shanno optimizer of the DL-FIND library on 26 test systems, we found the new optimizer to generally reduce the number of required optimization steps.

Optimizing Support Vector Machine Parameters with Genetic Algorithm for Credit Risk Assessment

NASA Astrophysics Data System (ADS)

Manurung, Jonson; Mawengkang, Herman; Zamzami, Elviawaty

2017-12-01

Support vector machine (SVM) is a popular classification method known to have strong generalization capabilities. SVM can solve the problem of classification and linear regression or nonlinear kernel which can be a learning algorithm for the ability of classification and regression. However, SVM also has a weakness that is difficult to determine the optimal parameter value. SVM calculates the best linear separator on the input feature space according to the training data. To classify data which are non-linearly separable, SVM uses kernel tricks to transform the data into a linearly separable data on a higher dimension feature space. The kernel trick using various kinds of kernel functions, such as : linear kernel, polynomial, radial base function (RBF) and sigmoid. Each function has parameters which affect the accuracy of SVM classification. To solve the problem genetic algorithms are proposed to be applied as the optimal parameter value search algorithm thus increasing the best classification accuracy on SVM. Data taken from UCI repository of machine learning database: Australian Credit Approval. The results show that the combination of SVM and genetic algorithms is effective in improving classification accuracy. Genetic algorithms has been shown to be effective in systematically finding optimal kernel parameters for SVM, instead of randomly selected kernel parameters. The best accuracy for data has been upgraded from kernel Linear: 85.12%, polynomial: 81.76%, RBF: 77.22% Sigmoid: 78.70%. However, for bigger data sizes, this method is not practical because it takes a lot of time.

Quantitative estimation of the energy flux during an explosive chromospheric evaporation in a white light flare kernel observed by Hinode, IRIS, SDO, and RHESSI

NASA Astrophysics Data System (ADS)

Lee, Kyoung-Sun; Imada, Shinsuke; Kyoko, Watanabe; Bamba, Yumi; Brooks, David H.

2016-10-01

An X1.6 flare occurred at the AR 12192 on 2014 October 22 at14:02 UT was observed by Hinode, IRIS, SDO, and RHESSI. We analyze a bright kernel which produces a white light (WL) flare with continuum enhancement and a hard X-ray (HXR) peak. Taking advantage of the spectroscopic observations of IRIS and Hinode/EIS, we measure the temporal variation of the plasma properties in the bright kernel in the chromosphere and corona. We found that explosive evaporation was observed when the WL emission occurred, even though the intensity enhancement in hotter lines is quite weak. The temporal correlation of the WL emission, HXR peak, and evaporation flows indicate that the WL emission was produced by accelerated electrons. To understand the white light emission processes, we calculated the deposited energy flux from the non-thermal electrons observed by RHESSI and compared it to the dissipated energy estimated from the chromospheric line (Mg II triplet) observed by IRIS. The deposited energy flux from the non-thermal electrons is about 3.1 × 1010erg cm-2 s-1 when we consider a cut-off energy 20 keV. The estimated energy flux from the temperature changes in the chromosphere measured from the Mg II subordinate line is about 4.6-6.7×109erg cm-2 s-1, ˜ 15-22% of the deposited energy. By comparison of these estimated energy fluxes we conclude that the continuum enhancement was directly produced by the non-thermal electrons.

Accuracy of a simplified method for shielded gamma-ray skyshine sources

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

Bassett, M.S.; Shultis, J.K.

1989-11-01

Rigorous transport or Monte Carlo methods for estimating far-field gamma-ray skyshine doses generally are computationally intensive. consequently, several simplified techniques such as point-kernel methods and methods based on beam response functions have been proposed. For unshielded skyshine sources, these simplified methods have been shown to be quite accurate from comparisons to benchmark problems and to benchmark experimental results. For shielded sources, the simplified methods typically use exponential attenuation and photon buildup factors to describe the effect of the shield. However, the energy and directional redistribution of photons scattered in the shield is usually ignored, i.e., scattered photons are assumed tomore » emerge from the shield with the same energy and direction as the uncollided photons. The accuracy of this shield treatment is largely unknown due to the paucity of benchmark results for shielded sources. In this paper, the validity of such a shield treatment is assessed by comparison to a composite method, which accurately calculates the energy and angular distribution of photons penetrating the shield.« less

Applications of discrete element method in modeling of grain postharvest operations

USDA-ARS?s Scientific Manuscript database

Grain kernels are finite and discrete materials. Although flowing grain can behave like a continuum fluid at times, the discontinuous behavior exhibited by grain kernels cannot be simulated solely with conventional continuum-based computer modeling such as finite-element or finite-difference methods...

Kernel-based whole-genome prediction of complex traits: a review.

PubMed

Morota, Gota; Gianola, Daniel

2014-01-01

Prediction of genetic values has been a focus of applied quantitative genetics since the beginning of the 20th century, with renewed interest following the advent of the era of whole genome-enabled prediction. Opportunities offered by the emergence of high-dimensional genomic data fueled by post-Sanger sequencing technologies, especially molecular markers, have driven researchers to extend Ronald Fisher and Sewall Wright's models to confront new challenges. In particular, kernel methods are gaining consideration as a regression method of choice for genome-enabled prediction. Complex traits are presumably influenced by many genomic regions working in concert with others (clearly so when considering pathways), thus generating interactions. Motivated by this view, a growing number of statistical approaches based on kernels attempt to capture non-additive effects, either parametrically or non-parametrically. This review centers on whole-genome regression using kernel methods applied to a wide range of quantitative traits of agricultural importance in animals and plants. We discuss various kernel-based approaches tailored to capturing total genetic variation, with the aim of arriving at an enhanced predictive performance in the light of available genome annotation information. Connections between prediction machines born in animal breeding, statistics, and machine learning are revisited, and their empirical prediction performance is discussed. Overall, while some encouraging results have been obtained with non-parametric kernels, recovering non-additive genetic variation in a validation dataset remains a challenge in quantitative genetics.

GPU-accelerated Kernel Regression Reconstruction for Freehand 3D Ultrasound Imaging.

PubMed

Wen, Tiexiang; Li, Ling; Zhu, Qingsong; Qin, Wenjian; Gu, Jia; Yang, Feng; Xie, Yaoqin

2017-07-01

Volume reconstruction method plays an important role in improving reconstructed volumetric image quality for freehand three-dimensional (3D) ultrasound imaging. By utilizing the capability of programmable graphics processing unit (GPU), we can achieve a real-time incremental volume reconstruction at a speed of 25-50 frames per second (fps). After incremental reconstruction and visualization, hole-filling is performed on GPU to fill remaining empty voxels. However, traditional pixel nearest neighbor-based hole-filling fails to reconstruct volume with high image quality. On the contrary, the kernel regression provides an accurate volume reconstruction method for 3D ultrasound imaging but with the cost of heavy computational complexity. In this paper, a GPU-based fast kernel regression method is proposed for high-quality volume after the incremental reconstruction of freehand ultrasound. The experimental results show that improved image quality for speckle reduction and details preservation can be obtained with the parameter setting of kernel window size of [Formula: see text] and kernel bandwidth of 1.0. The computational performance of the proposed GPU-based method can be over 200 times faster than that on central processing unit (CPU), and the volume with size of 50 million voxels in our experiment can be reconstructed within 10 seconds.

Energy scaling advantages of resistive memory crossbar based computation and its application to sparse coding

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

Agarwal, Sapan; Quach, Tu -Thach; Parekh, Ojas

In this study, the exponential increase in data over the last decade presents a significant challenge to analytics efforts that seek to process and interpret such data for various applications. Neural-inspired computing approaches are being developed in order to leverage the computational properties of the analog, low-power data processing observed in biological systems. Analog resistive memory crossbars can perform a parallel read or a vector-matrix multiplication as well as a parallel write or a rank-1 update with high computational efficiency. For an N × N crossbar, these two kernels can be O(N) more energy efficient than a conventional digital memory-basedmore » architecture. If the read operation is noise limited, the energy to read a column can be independent of the crossbar size (O(1)). These two kernels form the basis of many neuromorphic algorithms such as image, text, and speech recognition. For instance, these kernels can be applied to a neural sparse coding algorithm to give an O(N) reduction in energy for the entire algorithm when run with finite precision. Sparse coding is a rich problem with a host of applications including computer vision, object tracking, and more generally unsupervised learning.« less

Energy scaling advantages of resistive memory crossbar based computation and its application to sparse coding

DOE PAGES

Agarwal, Sapan; Quach, Tu -Thach; Parekh, Ojas; ...

2016-01-06

In this study, the exponential increase in data over the last decade presents a significant challenge to analytics efforts that seek to process and interpret such data for various applications. Neural-inspired computing approaches are being developed in order to leverage the computational properties of the analog, low-power data processing observed in biological systems. Analog resistive memory crossbars can perform a parallel read or a vector-matrix multiplication as well as a parallel write or a rank-1 update with high computational efficiency. For an N × N crossbar, these two kernels can be O(N) more energy efficient than a conventional digital memory-basedmore » architecture. If the read operation is noise limited, the energy to read a column can be independent of the crossbar size (O(1)). These two kernels form the basis of many neuromorphic algorithms such as image, text, and speech recognition. For instance, these kernels can be applied to a neural sparse coding algorithm to give an O(N) reduction in energy for the entire algorithm when run with finite precision. Sparse coding is a rich problem with a host of applications including computer vision, object tracking, and more generally unsupervised learning.« less

A dry-inoculation method for nut kernels.

PubMed

Blessington, Tyann; Theofel, Christopher G; Harris, Linda J

2013-04-01

A dry-inoculation method for almonds and walnuts was developed to eliminate the need for the postinoculation drying required for wet-inoculation methods. The survival of Salmonella enterica Enteritidis PT 30 on wet- and dry-inoculated almond and walnut kernels stored under ambient conditions (average: 23 °C; 41 or 47% RH) was then compared over 14 weeks. For wet inoculation, an aqueous Salmonella preparation was added directly to almond or walnut kernels, which were then dried under ambient conditions (3 or 7 days, respectively) to initial nut moisture levels. For the dry inoculation, liquid inoculum was mixed with sterilized sand and dried for 24 h at 40 °C. The dried inoculated sand was mixed with kernels, and the sand was removed by shaking the mixture in a sterile sieve. Mixing procedures to optimize the bacterial transfer from sand to kernel were evaluated; in general, similar levels were achieved on walnuts (4.8-5.2 log CFU/g) and almonds (4.2-5.1 log CFU/g). The decline of Salmonella Enteritidis populations was similar during ambient storage (98 days) for both wet-and dry-inoculation methods for both almonds and walnuts. The dry-inoculation method mimics some of the suspected routes of contamination for tree nuts and may be appropriate for some postharvest challenge studies. Copyright © 2012 Elsevier Ltd. All rights reserved.

Automatic classification of retinal three-dimensional optical coherence tomography images using principal component analysis network with composite kernels.

PubMed

Fang, Leyuan; Wang, Chong; Li, Shutao; Yan, Jun; Chen, Xiangdong; Rabbani, Hossein

2017-11-01

We present an automatic method, termed as the principal component analysis network with composite kernel (PCANet-CK), for the classification of three-dimensional (3-D) retinal optical coherence tomography (OCT) images. Specifically, the proposed PCANet-CK method first utilizes the PCANet to automatically learn features from each B-scan of the 3-D retinal OCT images. Then, multiple kernels are separately applied to a set of very important features of the B-scans and these kernels are fused together, which can jointly exploit the correlations among features of the 3-D OCT images. Finally, the fused (composite) kernel is incorporated into an extreme learning machine for the OCT image classification. We tested our proposed algorithm on two real 3-D spectral domain OCT (SD-OCT) datasets (of normal subjects and subjects with the macular edema and age-related macular degeneration), which demonstrated its effectiveness. (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Phenolic compounds and antioxidant activity of kernels and shells of Mexican pecan (Carya illinoinensis).

PubMed

de la Rosa, Laura A; Alvarez-Parrilla, Emilio; Shahidi, Fereidoon

2011-01-12

The phenolic composition and antioxidant activity of pecan kernels and shells cultivated in three regions of the state of Chihuahua, Mexico, were analyzed. High concentrations of total extractable phenolics, flavonoids, and proanthocyanidins were found in kernels, and 5-20-fold higher concentrations were found in shells. Their concentrations were significantly affected by the growing region. Antioxidant activity was evaluated by ORAC, DPPH•, HO•, and ABTS•-- scavenging (TAC) methods. Antioxidant activity was strongly correlated with the concentrations of phenolic compounds. A strong correlation existed among the results obtained using these four methods. Five individual phenolic compounds were positively identified and quantified in kernels: ellagic, gallic, protocatechuic, and p-hydroxybenzoic acids and catechin. Only ellagic and gallic acids could be identified in shells. Seven phenolic compounds were tentatively identified in kernels by means of MS and UV spectral comparison, namely, protocatechuic aldehyde, (epi)gallocatechin, one gallic acid-glucose conjugate, three ellagic acid derivatives, and valoneic acid dilactone.

Study of the convergence behavior of the complex kernel least mean square algorithm.

PubMed

Paul, Thomas K; Ogunfunmi, Tokunbo

2013-09-01

The complex kernel least mean square (CKLMS) algorithm is recently derived and allows for online kernel adaptive learning for complex data. Kernel adaptive methods can be used in finding solutions for neural network and machine learning applications. The derivation of CKLMS involved the development of a modified Wirtinger calculus for Hilbert spaces to obtain the cost function gradient. We analyze the convergence of the CKLMS with different kernel forms for complex data. The expressions obtained enable us to generate theory-predicted mean-square error curves considering the circularity of the complex input signals and their effect on nonlinear learning. Simulations are used for verifying the analysis results.

A robust, high-throughput method for computing maize ear, cob, and kernel attributes automatically from images.

PubMed

Miller, Nathan D; Haase, Nicholas J; Lee, Jonghyun; Kaeppler, Shawn M; de Leon, Natalia; Spalding, Edgar P

2017-01-01

Grain yield of the maize plant depends on the sizes, shapes, and numbers of ears and the kernels they bear. An automated pipeline that can measure these components of yield from easily-obtained digital images is needed to advance our understanding of this globally important crop. Here we present three custom algorithms designed to compute such yield components automatically from digital images acquired by a low-cost platform. One algorithm determines the average space each kernel occupies along the cob axis using a sliding-window Fourier transform analysis of image intensity features. A second counts individual kernels removed from ears, including those in clusters. A third measures each kernel's major and minor axis after a Bayesian analysis of contour points identifies the kernel tip. Dimensionless ear and kernel shape traits that may interrelate yield components are measured by principal components analysis of contour point sets. Increased objectivity and speed compared to typical manual methods are achieved without loss of accuracy as evidenced by high correlations with ground truth measurements and simulated data. Millimeter-scale differences among ear, cob, and kernel traits that ranged more than 2.5-fold across a diverse group of inbred maize lines were resolved. This system for measuring maize ear, cob, and kernel attributes is being used by multiple research groups as an automated Web service running on community high-throughput computing and distributed data storage infrastructure. Users may create their own workflow using the source code that is staged for download on a public repository. © 2016 The Authors. The Plant Journal published by Society for Experimental Biology and John Wiley & Sons Ltd.

Determination of amino acid contents of manketti seeds (Schinziophyton rautanenii) by pre-column derivatisation with 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate and RP-HPLC.

PubMed

Gwatidzo, Luke; Botha, Ben M; McCrindle, Rob I

2013-12-01

Defatted kernel flour from manketti seed kernels (Schinziophyton rautanenii) is an underutilised natural product. The plant grows in the wild, on sandy soils little used for agriculture in Southern Africa. The kernels are rich in protein and have a great potential for improving nutrition. The protein content and amino acid profile of manketti seed kernel were studied, using a new analytical method, in order to evaluate the nutritional value. The crude protein content of the press cake and defatted kernel flour was 29.0% and 67.5%, respectively. Leucine and arginine were found to be the most abundant essential and non-essential amino acids, respectively. The seed kernel contained 4.77 g leucine and 12.34 g arginine/100 g of defatted seed kernel flour. Methionine and proline were the least abundant essential and non-essential amino acids to with 0.23 g methionine and 0.36 g proline/100 g of defatted seed kernel flour, respectively. Validation of the pre-column derivatisation procedure with 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate (AQC) for the determination of amino acids was carried out. The analytical parameters were determined: linearity (0.0025-0.20 mM), accuracy of the derivatisation procedure: 86.7-109.8%, precision (method: 0.72-5.04%, instrumental: 0.14-1.88% and derivatisation: 0.15-2.94% and 0.41-4.32% for intraday and interday, respectively). Limits of detection and quantification were 6.80-157 mg/100 g and 22.7-523 mg/100 g kernel flour, respectively. Copyright © 2013 Elsevier Ltd. All rights reserved.

Use of convolution/superposition-based treatment planning system for dose calculations in the kilovoltage energy range

NASA Astrophysics Data System (ADS)

Alaei, Parham

2000-11-01

A number of procedures in diagnostic radiology and cardiology make use of long exposures to x rays from fluoroscopy units. Adverse effects of these long exposure times on the patients' skin have been documented in recent years. These include epilation, erythema, and, in severe cases, moist desquamation and tissue necrosis. Potential biological effects from these exposures to other organs include radiation-induced cataracts and pneumonitis. Although there have been numerous studies to measure or calculate the dose to skin from these procedures, there have only been a handful of studies to determine the dose to other organs. Therefore, there is a need for accurate methods to measure the dose in tissues and organs other than the skin. This research was concentrated in devising a method to determine accurately the radiation dose to these tissues and organs. The work was performed in several stages: First, a three dimensional (3D) treatment planning system used in radiation oncology was modified and complemented to make it usable with the low energies of x rays used in diagnostic radiology. Using the system for low energies required generation of energy deposition kernels using Monte Carlo methods. These kernels were generated using the EGS4 Monte Carlo system of codes and added to the treatment planning system. Following modification, the treatment planning system was evaluated for its accuracy of calculations in low energies within homogeneous and heterogeneous media. A study of the effects of lungs and bones on the dose distribution was also performed. The next step was the calculation of dose distributions in humanoid phantoms using this modified system. The system was used to calculate organ doses in these phantoms and the results were compared to those obtained from other methods. These dose distributions can subsequently be used to create dose-volume histograms (DVHs) for internal organs irradiated by these beams. Using this data and the concept of normal tissue complication probability (NTCP) developed for radiation oncology, the risk of future complications in a particular organ can be estimated.

Hyperspectral Image Classification via Kernel Sparse Representation

DTIC Science & Technology

2013-01-01

classification algorithms. Moreover, the spatial coherency across neighboring pixels is also incorporated through a kernelized joint sparsity model , where...joint sparsity model , where all of the pixels within a small neighborhood are jointly represented in the feature space by selecting a few common training...hyperspectral imagery, joint spar- sity model , kernel methods, sparse representation. I. INTRODUCTION HYPERSPECTRAL imaging sensors capture images

Global solutions to the equation of thermoelasticity with fading memory

NASA Astrophysics Data System (ADS)

Okada, Mari; Kawashima, Shuichi

2017-07-01

We consider the initial-history value problem for the one-dimensional equation of thermoelasticity with fading memory. It is proved that if the data are smooth and small, then a unique smooth solution exists globally in time and converges to the constant equilibrium state as time goes to infinity. Our proof is based on a technical energy method which makes use of the strict convexity of the entropy function and the properties of strongly positive definite kernels.

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

Regularized Embedded Multiple Kernel Dimensionality Reduction for Mine Signal Processing.

PubMed

Li, Shuang; Liu, Bing; Zhang, Chen

2016-01-01

Traditional multiple kernel dimensionality reduction models are generally based on graph embedding and manifold assumption. But such assumption might be invalid for some high-dimensional or sparse data due to the curse of dimensionality, which has a negative influence on the performance of multiple kernel learning. In addition, some models might be ill-posed if the rank of matrices in their objective functions was not high enough. To address these issues, we extend the traditional graph embedding framework and propose a novel regularized embedded multiple kernel dimensionality reduction method. Different from the conventional convex relaxation technique, the proposed algorithm directly takes advantage of a binary search and an alternative optimization scheme to obtain optimal solutions efficiently. The experimental results demonstrate the effectiveness of the proposed method for supervised, unsupervised, and semisupervised scenarios.

Multiscale Support Vector Learning With Projection Operator Wavelet Kernel for Nonlinear Dynamical System Identification.

PubMed

Lu, Zhao; Sun, Jing; Butts, Kenneth

2016-02-03

A giant leap has been made in the past couple of decades with the introduction of kernel-based learning as a mainstay for designing effective nonlinear computational learning algorithms. In view of the geometric interpretation of conditional expectation and the ubiquity of multiscale characteristics in highly complex nonlinear dynamic systems [1]-[3], this paper presents a new orthogonal projection operator wavelet kernel, aiming at developing an efficient computational learning approach for nonlinear dynamical system identification. In the framework of multiresolution analysis, the proposed projection operator wavelet kernel can fulfill the multiscale, multidimensional learning to estimate complex dependencies. The special advantage of the projection operator wavelet kernel developed in this paper lies in the fact that it has a closed-form expression, which greatly facilitates its application in kernel learning. To the best of our knowledge, it is the first closed-form orthogonal projection wavelet kernel reported in the literature. It provides a link between grid-based wavelets and mesh-free kernel-based methods. Simulation studies for identifying the parallel models of two benchmark nonlinear dynamical systems confirm its superiority in model accuracy and sparsity.

Two-baryon systems from HAL QCD method and the mirage in the temporal correlation of the direct method

NASA Astrophysics Data System (ADS)

Iritani, Takumi

2018-03-01

Both direct and HAL QCD methods are currently used to study the hadron interactions in lattice QCD. In the direct method, the eigen-energy of two-particle is measured from the temporal correlation. Due to the contamination of excited states, however, the direct method suffers from the fake eigen-energy problem, which we call the "mirage problem," while the HAL QCD method can extract information from all elastic states by using the spatial correlation. In this work, we further investigate systematic uncertainties of the HAL QCD method such as the quark source operator dependence, the convergence of the derivative expansion of the non-local interaction kernel, and the single baryon saturation, which are found to be well controlled. We also confirm the consistency between the HAL QCD method and the Lüscher's finite volume formula. Based on the HAL QCD potential, we quantitatively confirm that the mirage plateau in the direct method is indeed caused by the contamination of excited states.

Equalizing resolution in smoothed-particle hydrodynamics calculations using self-adaptive sinc kernels

NASA Astrophysics Data System (ADS)

García-Senz, Domingo; Cabezón, Rubén M.; Escartín, José A.; Ebinger, Kevin

2014-10-01

Context. The smoothed-particle hydrodynamics (SPH) technique is a numerical method for solving gas-dynamical problems. It has been applied to simulate the evolution of a wide variety of astrophysical systems. The method has a second-order accuracy, with a resolution that is usually much higher in the compressed regions than in the diluted zones of the fluid. Aims: We propose and check a method to balance and equalize the resolution of SPH between high- and low-density regions. This method relies on the versatility of a family of interpolators called sinc kernels, which allows increasing the interpolation quality by varying only a single parameter (the exponent of the sinc function). Methods: The proposed method was checked and validated through a number of numerical tests, from standard one-dimensional Riemann problems in shock tubes, to multidimensional simulations of explosions, hydrodynamic instabilities, and the collapse of a Sun-like polytrope. Results: The analysis of the hydrodynamical simulations suggests that the scheme devised to equalize the accuracy improves the treatment of the post-shock regions and, in general, of the rarefacted zones of fluids while causing no harm to the growth of hydrodynamic instabilities. The method is robust and easy to implement with a low computational overload. It conserves mass, energy, and momentum and reduces to the standard SPH scheme in regions of the fluid that have smooth density gradients.

A Novel Weighted Kernel PCA-Based Method for Optimization and Uncertainty Quantification

NASA Astrophysics Data System (ADS)

Thimmisetty, C.; Talbot, C.; Chen, X.; Tong, C. H.

2016-12-01

It has been demonstrated that machine learning methods can be successfully applied to uncertainty quantification for geophysical systems through the use of the adjoint method coupled with kernel PCA-based optimization. In addition, it has been shown through weighted linear PCA how optimization with respect to both observation weights and feature space control variables can accelerate convergence of such methods. Linear machine learning methods, however, are inherently limited in their ability to represent features of non-Gaussian stochastic random fields, as they are based on only the first two statistical moments of the original data. Nonlinear spatial relationships and multipoint statistics leading to the tortuosity characteristic of channelized media, for example, are captured only to a limited extent by linear PCA. With the aim of coupling the kernel-based and weighted methods discussed, we present a novel mathematical formulation of kernel PCA, Weighted Kernel Principal Component Analysis (WKPCA), that both captures nonlinear relationships and incorporates the attribution of significance levels to different realizations of the stochastic random field of interest. We also demonstrate how new instantiations retaining defining characteristics of the random field can be generated using Bayesian methods. In particular, we present a novel WKPCA-based optimization method that minimizes a given objective function with respect to both feature space random variables and observation weights through which optimal snapshot significance levels and optimal features are learned. We showcase how WKPCA can be applied to nonlinear optimal control problems involving channelized media, and in particular demonstrate an application of the method to learning the spatial distribution of material parameter values in the context of linear elasticity, and discuss further extensions of the method to stochastic inversion.

A Comparison of the Kernel Equating Method with Traditional Equating Methods Using SAT[R] Data

ERIC Educational Resources Information Center

Liu, Jinghua; Low, Albert C.

2008-01-01

This study applied kernel equating (KE) in two scenarios: equating to a very similar population and equating to a very different population, referred to as a distant population, using SAT[R] data. The KE results were compared to the results obtained from analogous traditional equating methods in both scenarios. The results indicate that KE results…

Response Matrix Monte Carlo for electron transport

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

Ballinger, C.T.; Nielsen, D.E. Jr.; Rathkopf, J.A.

1990-11-01

A Response Matrix Monte Carol (RMMC) method has been developed for solving electron transport problems. This method was born of the need to have a reliable, computationally efficient transport method for low energy electrons (below a few hundred keV) in all materials. Today, condensed history methods are used which reduce the computation time by modeling the combined effect of many collisions but fail at low energy because of the assumptions required to characterize the electron scattering. Analog Monte Carlo simulations are prohibitively expensive since electrons undergo coulombic scattering with little state change after a collision. The RMMC method attempts tomore » combine the accuracy of an analog Monte Carlo simulation with the speed of the condensed history methods. The combined effect of many collisions is modeled, like condensed history, except it is precalculated via an analog Monte Carol simulation. This avoids the scattering kernel assumptions associated with condensed history methods. Results show good agreement between the RMMC method and analog Monte Carlo. 11 refs., 7 figs., 1 tabs.« less

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

Li, Y; Liu, B; Liang, B

Purpose: Current CyberKnife treatment planning system (TPS) provided two dose calculation algorithms: Ray-tracing and Monte Carlo. Ray-tracing algorithm is fast, but less accurate, and also can’t handle irregular fields since a multi-leaf collimator system was recently introduced to CyberKnife M6 system. Monte Carlo method has well-known accuracy, but the current version still takes a long time to finish dose calculations. The purpose of this paper is to develop a GPU-based fast C/S dose engine for CyberKnife system to achieve both accuracy and efficiency. Methods: The TERMA distribution from a poly-energetic source was calculated based on beam’s eye view coordinate system,more » which is GPU friendly and has linear complexity. The dose distribution was then computed by inversely collecting the energy depositions from all TERMA points along 192 collapsed-cone directions. EGSnrc user code was used to pre-calculate energy deposition kernels (EDKs) for a series of mono-energy photons The energy spectrum was reconstructed based on measured tissue maximum ratio (TMR) curve, the TERMA averaged cumulative kernels was then calculated. Beam hardening parameters and intensity profiles were optimized based on measurement data from CyberKnife system. Results: The difference between measured and calculated TMR are less than 1% for all collimators except in the build-up regions. The calculated profiles also showed good agreements with the measured doses within 1% except in the penumbra regions. The developed C/S dose engine was also used to evaluate four clinical CyberKnife treatment plans, the results showed a better dose calculation accuracy than Ray-tracing algorithm compared with Monte Carlo method for heterogeneous cases. For the dose calculation time, it takes about several seconds for one beam depends on collimator size and dose calculation grids. Conclusion: A GPU-based C/S dose engine has been developed for CyberKnife system, which was proven to be efficient and accurate for clinical purpose, and can be easily implemented in TPS.« less

An ensemble method for extracting adverse drug events from social media.

PubMed

Liu, Jing; Zhao, Songzheng; Zhang, Xiaodi

2016-06-01

Because adverse drug events (ADEs) are a serious health problem and a leading cause of death, it is of vital importance to identify them correctly and in a timely manner. With the development of Web 2.0, social media has become a large data source for information on ADEs. The objective of this study is to develop a relation extraction system that uses natural language processing techniques to effectively distinguish between ADEs and non-ADEs in informal text on social media. We develop a feature-based approach that utilizes various lexical, syntactic, and semantic features. Information-gain-based feature selection is performed to address high-dimensional features. Then, we evaluate the effectiveness of four well-known kernel-based approaches (i.e., subset tree kernel, tree kernel, shortest dependency path kernel, and all-paths graph kernel) and several ensembles that are generated by adopting different combination methods (i.e., majority voting, weighted averaging, and stacked generalization). All of the approaches are tested using three data sets: two health-related discussion forums and one general social networking site (i.e., Twitter). When investigating the contribution of each feature subset, the feature-based approach attains the best area under the receiver operating characteristics curve (AUC) values, which are 78.6%, 72.2%, and 79.2% on the three data sets. When individual methods are used, we attain the best AUC values of 82.1%, 73.2%, and 77.0% using the subset tree kernel, shortest dependency path kernel, and feature-based approach on the three data sets, respectively. When using classifier ensembles, we achieve the best AUC values of 84.5%, 77.3%, and 84.5% on the three data sets, outperforming the baselines. Our experimental results indicate that ADE extraction from social media can benefit from feature selection. With respect to the effectiveness of different feature subsets, lexical features and semantic features can enhance the ADE extraction capability. Kernel-based approaches, which can stay away from the feature sparsity issue, are qualified to address the ADE extraction problem. Combining different individual classifiers using suitable combination methods can further enhance the ADE extraction effectiveness. Copyright © 2016 Elsevier B.V. All rights reserved.

Multi-PSF fusion in image restoration of range-gated systems

NASA Astrophysics Data System (ADS)

Wang, Canjin; Sun, Tao; Wang, Tingfeng; Miao, Xikui; Wang, Rui

2018-07-01

For the task of image restoration, an accurate estimation of degrading PSF/kernel is the premise of recovering a visually superior image. The imaging process of range-gated imaging system in atmosphere associates with lots of factors, such as back scattering, background radiation, diffraction limit and the vibration of the platform. On one hand, due to the difficulty of constructing models for all factors, the kernels from physical-model based methods are not strictly accurate and practical. On the other hand, there are few strong edges in images, which brings significant errors to most of image-feature-based methods. Since different methods focus on different formation factors of the kernel, their results often complement each other. Therefore, we propose an approach which combines physical model with image features. With an fusion strategy using GCRF (Gaussian Conditional Random Fields) framework, we get a final kernel which is closer to the actual one. Aiming at the problem that ground-truth image is difficult to obtain, we then propose a semi data-driven fusion method in which different data sets are used to train fusion parameters. Finally, a semi blind restoration strategy based on EM (Expectation Maximization) and RL (Richardson-Lucy) algorithm is proposed. Our methods not only models how the lasers transfer in the atmosphere and imaging in the ICCD (Intensified CCD) plane, but also quantifies other unknown degraded factors using image-based methods, revealing how multiple kernel elements interact with each other. The experimental results demonstrate that our method achieves better performance than state-of-the-art restoration approaches.

An actuarial approach to retrofit savings in buildings

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

Subbarao, Krishnappa; Etingov, Pavel V.; Reddy, T. A.

An actuarial method has been developed for determining energy savings from retrofits from energy use data for a number of buildings. This method should be contrasted with the traditional method of using pre- and post-retrofit data on the same building. This method supports the U.S. Department of Energy Building Performance Database of real building performance data and related tools that enable engineering and financial practitioners to evaluate retrofits. The actuarial approach derives, from the database, probability density functions (PDFs) for energy savings from retrofits by creating peer groups for the user’s pre post buildings. From the energy use distribution ofmore » the two groups, the savings PDF is derived. This provides the basis for engineering analysis as well as financial risk analysis leading to investment decisions. Several technical issues are addressed: The savings PDF is obtained from the pre- and post-PDF through a convolution. Smoothing using kernel density estimation is applied to make the PDF more realistic. The low data density problem can be mitigated through a neighborhood methodology. Correlations between pre and post buildings are addressed to improve the savings PDF. Sample size effects are addressed through the Kolmogorov--Smirnov tests and quantile-quantile plots.« less

Numerically Exact Long Time Magnetization Dynamics Near the Nonequilibrium Kondo Regime

NASA Astrophysics Data System (ADS)

Cohen, Guy; Gull, Emanuel; Reichman, David; Millis, Andrew; Rabani, Eran

2013-03-01

The dynamical and steady-state spin response of the nonequilibrium Anderson impurity model to magnetic fields, bias voltages, and temperature is investigated by a numerically exact method which allows access to unprecedentedly long times. The method is based on using real, continuous time bold Monte Carlo techniques--quantum Monte Carlo sampling of diagrammatic corrections to a partial re-summation--in order to compute the kernel of a memory function, which is then used to determine the reduced density matrix. The method owes its effectiveness to the fact that the memory kernel is dominated by relatively short-time properties even when the system's dynamics are long-ranged. We make predictions regarding the non-monotonic temperature dependence of the system at high bias voltage and the oscillatory quench dynamics at high magnetic fields. We also discuss extensions of the method to the computation of transport properties and correlation functions, and its suitability as an impurity solver free from the need for analytical continuation in the context of dynamical mean field theory. This work is supported by the US Department of Energy under grant DE-SC0006613, by NSF-DMR-1006282 and by the US-Israel Binational Science Foundation. GC is grateful to the Yad Hanadiv-Rothschild Foundation for the award of a Rothschild Fellowship.

Finite-frequency tomography using adjoint methods-Methodology and examples using membrane surface waves

NASA Astrophysics Data System (ADS)

Tape, Carl; Liu, Qinya; Tromp, Jeroen

2007-03-01

We employ adjoint methods in a series of synthetic seismic tomography experiments to recover surface wave phase-speed models of southern California. Our approach involves computing the Fréchet derivative for tomographic inversions via the interaction between a forward wavefield, propagating from the source to the receivers, and an `adjoint' wavefield, propagating from the receivers back to the source. The forward wavefield is computed using a 2-D spectral-element method (SEM) and a phase-speed model for southern California. A `target' phase-speed model is used to generate the `data' at the receivers. We specify an objective or misfit function that defines a measure of misfit between data and synthetics. For a given receiver, the remaining differences between data and synthetics are time-reversed and used as the source of the adjoint wavefield. For each earthquake, the interaction between the regular and adjoint wavefields is used to construct finite-frequency sensitivity kernels, which we call event kernels. An event kernel may be thought of as a weighted sum of phase-specific (e.g. P) banana-doughnut kernels, with weights determined by the measurements. The overall sensitivity is simply the sum of event kernels, which defines the misfit kernel. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, that is, the Fréchet derivative. A non-linear conjugate gradient algorithm is used to iteratively improve the model while reducing the misfit function. We illustrate the construction of the gradient and the minimization algorithm, and consider various tomographic experiments, including source inversions, structural inversions and joint source-structure inversions. Finally, we draw connections between classical Hessian-based tomography and gradient-based adjoint tomography.

Chemical and Nutritional Composition of Terminalia ferdinandiana (Kakadu Plum) Kernels: A Novel Nutrition Source

PubMed Central

Netzel, Michael E.; Tinggi, Ujang

2018-01-01

Terminalia ferdinandiana (Kakadu plum) is a native Australian fruit. Industrial processing of T. ferdinandiana fruits into puree generates seeds as a by-product, which are generally discarded. The aim of our present study was to process the seed to separate the kernel and determine its nutritional composition. The proximate, mineral and fatty acid compositions were analysed in this study. Kernels are composed of 35% fat, while proteins account for 32% dry weight (DW). The energy content and fiber were 2065 kJ/100 g and 21.2% DW, respectively. Furthermore, the study showed that kernels were a very rich source of minerals and trace elements, such as potassium (6693 mg/kg), calcium (5385 mg/kg), iron (61 mg/kg) and zinc (60 mg/kg) DW, and had low levels of heavy metals. The fatty acid composition of the kernels consisted of omega-6 fatty acid, linoleic acid (50.2%), monounsaturated oleic acid (29.3%) and two saturated fatty acids namely palmitic acid (12.0%) and stearic acid (7.2%). The results indicate that T. ferdinandiana kernels have the potential to be utilized as a novel protein source for dietary purposes and non-conventional supply of linoleic, palmitic and oleic acids. PMID:29649154

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).

Wilson Dslash Kernel From Lattice QCD Optimization

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

Joo, Balint; Smelyanskiy, Mikhail; Kalamkar, Dhiraj D.

2015-07-01

Lattice Quantum Chromodynamics (LQCD) is a numerical technique used for calculations in Theoretical Nuclear and High Energy Physics. LQCD is traditionally one of the first applications ported to many new high performance computing architectures and indeed LQCD practitioners have been known to design and build custom LQCD computers. Lattice QCD kernels are frequently used as benchmarks (e.g. 168.wupwise in the SPEC suite) and are generally well understood, and as such are ideal to illustrate several optimization techniques. In this chapter we will detail our work in optimizing the Wilson-Dslash kernels for Intel Xeon Phi, however, as we will show themore » technique gives excellent performance on regular Xeon Architecture as well.« less

Multigroup computation of the temperature-dependent Resonance Scattering Model (RSM) and its implementation

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

Ghrayeb, S. Z.; Ouisloumen, M.; Ougouag, A. M.

2012-07-01

A multi-group formulation for the exact neutron elastic scattering kernel is developed. This formulation is intended for implementation into a lattice physics code. The correct accounting for the crystal lattice effects influences the estimated values for the probability of neutron absorption and scattering, which in turn affect the estimation of core reactivity and burnup characteristics. A computer program has been written to test the formulation for various nuclides. Results of the multi-group code have been verified against the correct analytic scattering kernel. In both cases neutrons were started at various energies and temperatures and the corresponding scattering kernels were tallied.more » (authors)« less

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.

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.

Evaluating Equating Results: Percent Relative Error for Chained Kernel Equating

ERIC Educational Resources Information Center

Jiang, Yanlin; von Davier, Alina A.; Chen, Haiwen

2012-01-01

This article presents a method for evaluating equating results. Within the kernel equating framework, the percent relative error (PRE) for chained equipercentile equating was computed under the nonequivalent groups with anchor test (NEAT) design. The method was applied to two data sets to obtain the PRE, which can be used to measure equating…

New KF-PP-SVM classification method for EEG in brain-computer interfaces.

PubMed

Yang, Banghua; Han, Zhijun; Zan, Peng; Wang, Qian

2014-01-01

Classification methods are a crucial direction in the current study of brain-computer interfaces (BCIs). To improve the classification accuracy for electroencephalogram (EEG) signals, a novel KF-PP-SVM (kernel fisher, posterior probability, and support vector machine) classification method is developed. Its detailed process entails the use of common spatial patterns to obtain features, based on which the within-class scatter is calculated. Then the scatter is added into the kernel function of a radial basis function to construct a new kernel function. This new kernel is integrated into the SVM to obtain a new classification model. Finally, the output of SVM is calculated based on posterior probability and the final recognition result is obtained. To evaluate the effectiveness of the proposed KF-PP-SVM method, EEG data collected from laboratory are processed with four different classification schemes (KF-PP-SVM, KF-SVM, PP-SVM, and SVM). The results showed that the overall average improvements arising from the use of the KF-PP-SVM scheme as opposed to KF-SVM, PP-SVM and SVM schemes are 2.49%, 5.83 % and 6.49 % respectively.

Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.

PubMed

Mohr, Johannes A; Jain, Brijnesh J; Obermayer, Klaus

2008-09-01

Quantitative structure activity relationship (QSAR) analysis is traditionally based on extracting a set of molecular descriptors and using them to build a predictive model. In this work, we propose a QSAR approach based directly on the similarity between the 3D structures of a set of molecules measured by a so-called molecule kernel, which is independent of the spatial prealignment of the compounds. Predictors can be build using the molecule kernel in conjunction with the potential support vector machine (P-SVM), a recently proposed machine learning method for dyadic data. The resulting models make direct use of the structural similarities between the compounds in the test set and a subset of the training set and do not require an explicit descriptor construction. We evaluated the predictive performance of the proposed method on one classification and four regression QSAR datasets and compared its results to the results reported in the literature for several state-of-the-art descriptor-based and 3D QSAR approaches. In this comparison, the proposed molecule kernel method performed better than the other QSAR methods.

Utilization of spectral-spatial characteristics in shortwave infrared hyperspectral images to classify and identify fungi-contaminated peanuts.

PubMed

Qiao, Xiaojun; Jiang, Jinbao; Qi, Xiaotong; Guo, Haiqiang; Yuan, Deshuai

2017-04-01

It's well-known fungi-contaminated peanuts contain potent carcinogen. Efficiently identifying and separating the contaminated can help prevent aflatoxin entering in food chain. In this study, shortwave infrared (SWIR) hyperspectral images for identifying the prepared contaminated kernels. Feature selection method of analysis of variance (ANOVA) and feature extraction method of nonparametric weighted feature extraction (NWFE) were used to concentrate spectral information into a subspace where contaminated and healthy peanuts can have favorable separability. Then, peanut pixels were classified using SVM. Moreover, image segmentation method of region growing was applied to segment the image as kernel-scale patches and meanwhile to number the kernels. The result shows that pixel-wise classification accuracies are 99.13% for breed A, 96.72% for B and 99.73% for C in learning images, and are 96.32%, 94.2% and 97.51% in validation images. Contaminated peanuts were correctly marked as aberrant kernels in both learning images and validation images. Copyright © 2016 Elsevier Ltd. All rights reserved.

Generalized and efficient algorithm for computing multipole energies and gradients based on Cartesian tensors

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

Lin, Dejun, E-mail: dejun.lin@gmail.com

2015-09-21

Accurate representation of intermolecular forces has been the central task of classical atomic simulations, known as molecular mechanics. Recent advancements in molecular mechanics models have put forward the explicit representation of permanent and/or induced electric multipole (EMP) moments. The formulas developed so far to calculate EMP interactions tend to have complicated expressions, especially in Cartesian coordinates, which can only be applied to a specific kernel potential function. For example, one needs to develop a new formula each time a new kernel function is encountered. The complication of these formalisms arises from an intriguing and yet obscured mathematical relation between themore » kernel functions and the gradient operators. Here, I uncover this relation via rigorous derivation and find that the formula to calculate EMP interactions is basically invariant to the potential kernel functions as long as they are of the form f(r), i.e., any Green’s function that depends on inter-particle distance. I provide an algorithm for efficient evaluation of EMP interaction energies, forces, and torques for any kernel f(r) up to any arbitrary rank of EMP moments in Cartesian coordinates. The working equations of this algorithm are essentially the same for any kernel f(r). Recently, a few recursive algorithms were proposed to calculate EMP interactions. Depending on the kernel functions, the algorithm here is about 4–16 times faster than these algorithms in terms of the required number of floating point operations and is much more memory efficient. I show that it is even faster than a theoretically ideal recursion scheme, i.e., one that requires 1 floating point multiplication and 1 addition per recursion step. This algorithm has a compact vector-based expression that is optimal for computer programming. The Cartesian nature of this algorithm makes it fit easily into modern molecular simulation packages as compared with spherical coordinate-based algorithms. A software library based on this algorithm has been implemented in C++11 and has been released.« less

Sub-Network Kernels for Measuring Similarity of Brain Connectivity Networks in Disease Diagnosis.

PubMed

Jie, Biao; Liu, Mingxia; Zhang, Daoqiang; Shen, Dinggang

2018-05-01

As a simple representation of interactions among distributed brain regions, brain networks have been widely applied to automated diagnosis of brain diseases, such as Alzheimer's disease (AD) and its early stage, i.e., mild cognitive impairment (MCI). In brain network analysis, a challenging task is how to measure the similarity between a pair of networks. Although many graph kernels (i.e., kernels defined on graphs) have been proposed for measuring the topological similarity of a pair of brain networks, most of them are defined using general graphs, thus ignoring the uniqueness of each node in brain networks. That is, each node in a brain network denotes a particular brain region, which is a specific characteristics of brain networks. Accordingly, in this paper, we construct a novel sub-network kernel for measuring the similarity between a pair of brain networks and then apply it to brain disease classification. Different from current graph kernels, our proposed sub-network kernel not only takes into account the inherent characteristic of brain networks, but also captures multi-level (from local to global) topological properties of nodes in brain networks, which are essential for defining the similarity measure of brain networks. To validate the efficacy of our method, we perform extensive experiments on subjects with baseline functional magnetic resonance imaging data obtained from the Alzheimer's disease neuroimaging initiative database. Experimental results demonstrate that the proposed method outperforms several state-of-the-art graph-based methods in MCI classification.

Laser induced spark ignition of methane-oxygen mixtures

NASA Technical Reports Server (NTRS)

Santavicca, D. A.; Ho, C.; Reilly, B. J.; Lee, T.-W.

1991-01-01

Results from an experimental study of laser induced spark ignition of methane-oxygen mixtures are presented. The experiments were conducted at atmospheric pressure and 296 K under laminar pre-mixed and turbulent-incompletely mixed conditions. A pulsed, frequency doubled Nd:YAG laser was used as the ignition source. Laser sparks with energies of 10 mJ and 40 mJ were used, as well as a conventional electrode spark with an effective energy of 6 mJ. Measurements were made of the flame kernel radius as a function of time using pulsed laser shadowgraphy. The initial size of the spark ignited flame kernel was found to correlate reasonably well with breakdown energy as predicted by the Taylor spherical blast wave model. The subsequent growth rate of the flame kernel was found to increase with time from a value less than to a value greater than the adiabatic, unstretched laminar growth rate. This behavior was attributed to the combined effects of flame stretch and an apparent wrinkling of the flame surface due to the extremely rapid acceleration of the flame. The very large laminar flame speed of methane-oxygen mixtures appears to be the dominant factor affecting the growth rate of spark ignited flame kernels, with the mode of ignition having a small effect. The effect of incomplete fuel-oxidizer mixing was found to have a significant effect on the growth rate, one which was greater than could simply be accounted for by the effect of local variations in the equivalence ratio on the local flame speed.

Rare variant testing across methods and thresholds using the multi-kernel sequence kernel association test (MK-SKAT).

PubMed

Urrutia, Eugene; Lee, Seunggeun; Maity, Arnab; Zhao, Ni; Shen, Judong; Li, Yun; Wu, Michael C

Analysis of rare genetic variants has focused on region-based analysis wherein a subset of the variants within a genomic region is tested for association with a complex trait. Two important practical challenges have emerged. First, it is difficult to choose which test to use. Second, it is unclear which group of variants within a region should be tested. Both depend on the unknown true state of nature. Therefore, we develop the Multi-Kernel SKAT (MK-SKAT) which tests across a range of rare variant tests and groupings. Specifically, we demonstrate that several popular rare variant tests are special cases of the sequence kernel association test which compares pair-wise similarity in trait value to similarity in the rare variant genotypes between subjects as measured through a kernel function. Choosing a particular test is equivalent to choosing a kernel. Similarly, choosing which group of variants to test also reduces to choosing a kernel. Thus, MK-SKAT uses perturbation to test across a range of kernels. Simulations and real data analyses show that our framework controls type I error while maintaining high power across settings: MK-SKAT loses power when compared to the kernel for a particular scenario but has much greater power than poor choices.

Pathway-Based Kernel Boosting for the Analysis of Genome-Wide Association Studies

PubMed Central

Manitz, Juliane; Burger, Patricia; Amos, Christopher I.; Chang-Claude, Jenny; Wichmann, Heinz-Erich; Kneib, Thomas; Bickeböller, Heike

2017-01-01

The analysis of genome-wide association studies (GWAS) benefits from the investigation of biologically meaningful gene sets, such as gene-interaction networks (pathways). We propose an extension to a successful kernel-based pathway analysis approach by integrating kernel functions into a powerful algorithmic framework for variable selection, to enable investigation of multiple pathways simultaneously. We employ genetic similarity kernels from the logistic kernel machine test (LKMT) as base-learners in a boosting algorithm. A model to explain case-control status is created iteratively by selecting pathways that improve its prediction ability. We evaluated our method in simulation studies adopting 50 pathways for different sample sizes and genetic effect strengths. Additionally, we included an exemplary application of kernel boosting to a rheumatoid arthritis and a lung cancer dataset. Simulations indicate that kernel boosting outperforms the LKMT in certain genetic scenarios. Applications to GWAS data on rheumatoid arthritis and lung cancer resulted in sparse models which were based on pathways interpretable in a clinical sense. Kernel boosting is highly flexible in terms of considered variables and overcomes the problem of multiple testing. Additionally, it enables the prediction of clinical outcomes. Thus, kernel boosting constitutes a new, powerful tool in the analysis of GWAS data and towards the understanding of biological processes involved in disease susceptibility. PMID:28785300

Pathway-Based Kernel Boosting for the Analysis of Genome-Wide Association Studies.

PubMed

Friedrichs, Stefanie; Manitz, Juliane; Burger, Patricia; Amos, Christopher I; Risch, Angela; Chang-Claude, Jenny; Wichmann, Heinz-Erich; Kneib, Thomas; Bickeböller, Heike; Hofner, Benjamin

2017-01-01

The analysis of genome-wide association studies (GWAS) benefits from the investigation of biologically meaningful gene sets, such as gene-interaction networks (pathways). We propose an extension to a successful kernel-based pathway analysis approach by integrating kernel functions into a powerful algorithmic framework for variable selection, to enable investigation of multiple pathways simultaneously. We employ genetic similarity kernels from the logistic kernel machine test (LKMT) as base-learners in a boosting algorithm. A model to explain case-control status is created iteratively by selecting pathways that improve its prediction ability. We evaluated our method in simulation studies adopting 50 pathways for different sample sizes and genetic effect strengths. Additionally, we included an exemplary application of kernel boosting to a rheumatoid arthritis and a lung cancer dataset. Simulations indicate that kernel boosting outperforms the LKMT in certain genetic scenarios. Applications to GWAS data on rheumatoid arthritis and lung cancer resulted in sparse models which were based on pathways interpretable in a clinical sense. Kernel boosting is highly flexible in terms of considered variables and overcomes the problem of multiple testing. Additionally, it enables the prediction of clinical outcomes. Thus, kernel boosting constitutes a new, powerful tool in the analysis of GWAS data and towards the understanding of biological processes involved in disease susceptibility.

Generation and optimization of superpixels as image processing kernels for Jones matrix optical coherence tomography

PubMed Central

Miyazawa, Arata; Hong, Young-Joo; Makita, Shuichi; Kasaragod, Deepa; Yasuno, Yoshiaki

2017-01-01

Jones matrix-based polarization sensitive optical coherence tomography (JM-OCT) simultaneously measures optical intensity, birefringence, degree of polarization uniformity, and OCT angiography. The statistics of the optical features in a local region, such as the local mean of the OCT intensity, are frequently used for image processing and the quantitative analysis of JM-OCT. Conventionally, local statistics have been computed with fixed-size rectangular kernels. However, this results in a trade-off between image sharpness and statistical accuracy. We introduce a superpixel method to JM-OCT for generating the flexible kernels of local statistics. A superpixel is a cluster of image pixels that is formed by the pixels’ spatial and signal value proximities. An algorithm for superpixel generation specialized for JM-OCT and its optimization methods are presented in this paper. The spatial proximity is in two-dimensional cross-sectional space and the signal values are the four optical features. Hence, the superpixel method is a six-dimensional clustering technique for JM-OCT pixels. The performance of the JM-OCT superpixels and its optimization methods are evaluated in detail using JM-OCT datasets of posterior eyes. The superpixels were found to well preserve tissue structures, such as layer structures, sclera, vessels, and retinal pigment epithelium. And hence, they are more suitable for local statistics kernels than conventional uniform rectangular kernels. PMID:29082073

A shock-capturing SPH scheme based on adaptive kernel estimation

NASA Astrophysics Data System (ADS)

Sigalotti, Leonardo Di G.; López, Hender; Donoso, Arnaldo; Sira, Eloy; Klapp, Jaime

2006-02-01

Here we report a method that converts standard smoothed particle hydrodynamics (SPH) into a working shock-capturing scheme without relying on solutions to the Riemann problem. Unlike existing adaptive SPH simulations, the present scheme is based on an adaptive kernel estimation of the density, which combines intrinsic features of both the kernel and nearest neighbor approaches in a way that the amount of smoothing required in low-density regions is effectively controlled. Symmetrized SPH representations of the gas dynamic equations along with the usual kernel summation for the density are used to guarantee variational consistency. Implementation of the adaptive kernel estimation involves a very simple procedure and allows for a unique scheme that handles strong shocks and rarefactions the same way. Since it represents a general improvement of the integral interpolation on scattered data, it is also applicable to other fluid-dynamic models. When the method is applied to supersonic compressible flows with sharp discontinuities, as in the classical one-dimensional shock-tube problem and its variants, the accuracy of the results is comparable, and in most cases superior, to that obtained from high quality Godunov-type methods and SPH formulations based on Riemann solutions. The extension of the method to two- and three-space dimensions is straightforward. In particular, for the two-dimensional cylindrical Noh's shock implosion and Sedov point explosion problems the present scheme produces much better results than those obtained with conventional SPH codes.

Efficient calculation of beyond RPA correlation energies in the dielectric matrix formalism

NASA Astrophysics Data System (ADS)

Beuerle, Matthias; Graf, Daniel; Schurkus, Henry F.; Ochsenfeld, Christian

2018-05-01

We present efficient methods to calculate beyond random phase approximation (RPA) correlation energies for molecular systems with up to 500 atoms. To reduce the computational cost, we employ the resolution-of-the-identity and a double-Laplace transform of the non-interacting polarization propagator in conjunction with an atomic orbital formalism. Further improvements are achieved using integral screening and the introduction of Cholesky decomposed densities. Our methods are applicable to the dielectric matrix formalism of RPA including second-order screened exchange (RPA-SOSEX), the RPA electron-hole time-dependent Hartree-Fock (RPA-eh-TDHF) approximation, and RPA renormalized perturbation theory using an approximate exchange kernel (RPA-AXK). We give an application of our methodology by presenting RPA-SOSEX benchmark results for the L7 test set of large, dispersion dominated molecules, yielding a mean absolute error below 1 kcal/mol. The present work enables calculating beyond RPA correlation energies for significantly larger molecules than possible to date, thereby extending the applicability of these methods to a wider range of chemical systems.

Low-energy electron dose-point kernel simulations using new physics models implemented in Geant4-DNA

NASA Astrophysics Data System (ADS)

Bordes, Julien; Incerti, Sébastien; Lampe, Nathanael; Bardiès, Manuel; Bordage, Marie-Claude

2017-05-01

When low-energy electrons, such as Auger electrons, interact with liquid water, they induce highly localized ionizing energy depositions over ranges comparable to cell diameters. Monte Carlo track structure (MCTS) codes are suitable tools for performing dosimetry at this level. One of the main MCTS codes, Geant4-DNA, is equipped with only two sets of cross section models for low-energy electron interactions in liquid water (;option 2; and its improved version, ;option 4;). To provide Geant4-DNA users with new alternative physics models, a set of cross sections, extracted from CPA100 MCTS code, have been added to Geant4-DNA. This new version is hereafter referred to as ;Geant4-DNA-CPA100;. In this study, ;Geant4-DNA-CPA100; was used to calculate low-energy electron dose-point kernels (DPKs) between 1 keV and 200 keV. Such kernels represent the radial energy deposited by an isotropic point source, a parameter that is useful for dosimetry calculations in nuclear medicine. In order to assess the influence of different physics models on DPK calculations, DPKs were calculated using the existing Geant4-DNA models (;option 2; and ;option 4;), newly integrated CPA100 models, and the PENELOPE Monte Carlo code used in step-by-step mode for monoenergetic electrons. Additionally, a comparison was performed of two sets of DPKs that were simulated with ;Geant4-DNA-CPA100; - the first set using Geant4‧s default settings, and the second using CPA100‧s original code default settings. A maximum difference of 9.4% was found between the Geant4-DNA-CPA100 and PENELOPE DPKs. Between the two Geant4-DNA existing models, slight differences, between 1 keV and 10 keV were observed. It was highlighted that the DPKs simulated with the two Geant4-DNA's existing models were always broader than those generated with ;Geant4-DNA-CPA100;. The discrepancies observed between the DPKs generated using Geant4-DNA's existing models and ;Geant4-DNA-CPA100; were caused solely by their different cross sections. The different scoring and interpolation methods used in CPA100 and Geant4 to calculate DPKs showed differences close to 3.0% near the source.

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)…

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

O'Brien, Travis A.; Kashinath, Karthik; Cavanaugh, Nicholas R.

Numerous facets of scientific research implicitly or explicitly call for the estimation of probability densities. Histograms and kernel density estimates (KDEs) are two commonly used techniques for estimating such information, with the KDE generally providing a higher fidelity representation of the probability density function (PDF). Both methods require specification of either a bin width or a kernel bandwidth. While techniques exist for choosing the kernel bandwidth optimally and objectively, they are computationally intensive, since they require repeated calculation of the KDE. A solution for objectively and optimally choosing both the kernel shape and width has recently been developed by Bernacchiamore » and Pigolotti (2011). While this solution theoretically applies to multidimensional KDEs, it has not been clear how to practically do so. A method for practically extending the Bernacchia-Pigolotti KDE to multidimensions is introduced. This multidimensional extension is combined with a recently-developed computational improvement to their method that makes it computationally efficient: a 2D KDE on 10 5 samples only takes 1 s on a modern workstation. This fast and objective KDE method, called the fastKDE method, retains the excellent statistical convergence properties that have been demonstrated for univariate samples. The fastKDE method exhibits statistical accuracy that is comparable to state-of-the-science KDE methods publicly available in R, and it produces kernel density estimates several orders of magnitude faster. The fastKDE method does an excellent job of encoding covariance information for bivariate samples. This property allows for direct calculation of conditional PDFs with fastKDE. It is demonstrated how this capability might be leveraged for detecting non-trivial relationships between quantities in physical systems, such as transitional behavior.« less

A Decision-Making Method with Grey Multi-Source Heterogeneous Data and Its Application in Green Supplier Selection

PubMed Central

Dang, Yaoguo; Mao, Wenxin

2018-01-01

In view of the multi-attribute decision-making problem that the attribute values are grey multi-source heterogeneous data, a decision-making method based on kernel and greyness degree is proposed. The definitions of kernel and greyness degree of an extended grey number in a grey multi-source heterogeneous data sequence are given. On this basis, we construct the kernel vector and greyness degree vector of the sequence to whiten the multi-source heterogeneous information, then a grey relational bi-directional projection ranking method is presented. Considering the multi-attribute multi-level decision structure and the causalities between attributes in decision-making problem, the HG-DEMATEL method is proposed to determine the hierarchical attribute weights. A green supplier selection example is provided to demonstrate the rationality and validity of the proposed method. PMID:29510521

A Decision-Making Method with Grey Multi-Source Heterogeneous Data and Its Application in Green Supplier Selection.

PubMed

Sun, Huifang; Dang, Yaoguo; Mao, Wenxin

2018-03-03

In view of the multi-attribute decision-making problem that the attribute values are grey multi-source heterogeneous data, a decision-making method based on kernel and greyness degree is proposed. The definitions of kernel and greyness degree of an extended grey number in a grey multi-source heterogeneous data sequence are given. On this basis, we construct the kernel vector and greyness degree vector of the sequence to whiten the multi-source heterogeneous information, then a grey relational bi-directional projection ranking method is presented. Considering the multi-attribute multi-level decision structure and the causalities between attributes in decision-making problem, the HG-DEMATEL method is proposed to determine the hierarchical attribute weights. A green supplier selection example is provided to demonstrate the rationality and validity of the proposed method.

Numerical estimation of deformation energy of selected bulk oilseeds in compression loading

NASA Astrophysics Data System (ADS)

Demirel, C.; Kabutey, A.; Herak, D.; Gurdil, G. A. K.

2017-09-01

This paper aimed at the determination of the deformation energy of some bulk oilseeds or kernels namely oil palm, sunflower, rape and flax in linear pressing applying the trapezoidal rule which is characterized by the area under the force and deformation curve.The bulk samples were measured at the initial pressing height of 60 mm with the vessel diameter of 60 mm where they were compressed under the universal compression machine at a maximum force of 200 kN and speed of 5 mm/min.Based on the compression test, the optimal deformation energy for recovering the oil was observed at a force of 163 kN where there was no seed/kernel cake ejection in comparison to the initial maximum force used particularly for rape and flax bulk oilseeds.This information is needed for analyzing the energy efficiency of the non-linear compression process involving a mechanical screw press or expeller.

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.

Prediction of Heterodimeric Protein Complexes from Weighted Protein-Protein Interaction Networks Using Novel Features and Kernel Functions

PubMed Central

Ruan, Peiying; Hayashida, Morihiro; Maruyama, Osamu; Akutsu, Tatsuya

2013-01-01

Since many proteins express their functional activity by interacting with other proteins and forming protein complexes, it is very useful to identify sets of proteins that form complexes. For that purpose, many prediction methods for protein complexes from protein-protein interactions have been developed such as MCL, MCODE, RNSC, PCP, RRW, and NWE. These methods have dealt with only complexes with size of more than three because the methods often are based on some density of subgraphs. However, heterodimeric protein complexes that consist of two distinct proteins occupy a large part according to several comprehensive databases of known complexes. In this paper, we propose several feature space mappings from protein-protein interaction data, in which each interaction is weighted based on reliability. Furthermore, we make use of prior knowledge on protein domains to develop feature space mappings, domain composition kernel and its combination kernel with our proposed features. We perform ten-fold cross-validation computational experiments. These results suggest that our proposed kernel considerably outperforms the naive Bayes-based method, which is the best existing method for predicting heterodimeric protein complexes. PMID:23776458

Richardson-Lucy deblurring for the star scene under a thinning motion path

NASA Astrophysics Data System (ADS)

Su, Laili; Shao, Xiaopeng; Wang, Lin; Wang, Haixin; Huang, Yining

2015-05-01

This paper puts emphasis on how to model and correct image blur that arises from a camera's ego motion while observing a distant star scene. Concerning the significance of accurate estimation of point spread function (PSF), a new method is employed to obtain blur kernel by thinning star motion path. In particular, how the blurred star image can be corrected to reconstruct the clear scene with a thinning motion blur model which describes the camera's path is presented. This thinning motion path to build blur kernel model is more effective at modeling the spatially motion blur introduced by camera's ego motion than conventional blind estimation of kernel-based PSF parameterization. To gain the reconstructed image, firstly, an improved thinning algorithm is used to obtain the star point trajectory, so as to extract the blur kernel of the motion-blurred star image. Then how motion blur model can be incorporated into the Richardson-Lucy (RL) deblurring algorithm, which reveals its overall effectiveness, is detailed. In addition, compared with the conventional estimated blur kernel, experimental results show that the proposed method of using thinning algorithm to get the motion blur kernel is of less complexity, higher efficiency and better accuracy, which contributes to better restoration of the motion-blurred star images.

Grey Language Hesitant Fuzzy Group Decision Making Method Based on Kernel and Grey Scale

PubMed Central

Diao, Yuzhu; Hu, Aqin

2018-01-01

Based on grey language multi-attribute group decision making, a kernel and grey scale scoring function is put forward according to the definition of grey language and the meaning of the kernel and grey scale. The function introduces grey scale into the decision-making method to avoid information distortion. This method is applied to the grey language hesitant fuzzy group decision making, and the grey correlation degree is used to sort the schemes. The effectiveness and practicability of the decision-making method are further verified by the industry chain sustainable development ability evaluation example of a circular economy. Moreover, its simplicity and feasibility are verified by comparing it with the traditional grey language decision-making method and the grey language hesitant fuzzy weighted arithmetic averaging (GLHWAA) operator integration method after determining the index weight based on the grey correlation. PMID:29498699

Grey Language Hesitant Fuzzy Group Decision Making Method Based on Kernel and Grey Scale.

PubMed

Li, Qingsheng; Diao, Yuzhu; Gong, Zaiwu; Hu, Aqin

2018-03-02

Based on grey language multi-attribute group decision making, a kernel and grey scale scoring function is put forward according to the definition of grey language and the meaning of the kernel and grey scale. The function introduces grey scale into the decision-making method to avoid information distortion. This method is applied to the grey language hesitant fuzzy group decision making, and the grey correlation degree is used to sort the schemes. The effectiveness and practicability of the decision-making method are further verified by the industry chain sustainable development ability evaluation example of a circular economy. Moreover, its simplicity and feasibility are verified by comparing it with the traditional grey language decision-making method and the grey language hesitant fuzzy weighted arithmetic averaging (GLHWAA) operator integration method after determining the index weight based on the grey correlation.

Determination of active ingredients in corn silk, leaf, and kernel by capillary electrophoresis with electrochemicaI detection.

PubMed

Lin, Miao; Chu, Qing-Cui; Tian, Xiu-Hui; Ye, Jian-Nong

2007-01-01

Corn has been known for its accumulation of flavones and phenolic acids. However, many parts of corn, except kernel, have not drawn much attention. In this work, a method based on capillary zone electrophoresis with electrochemical detection has been used for the separation and determination of epicatechin, rutin, ascorbic acid (Vc), kaempferol, chlorogenic acid, and quercetin in corn silk, leaf, and kernel. The distribution comparison of the ingredients among silk, leaf, and kernel is discussed. Several important factors--including running buffer acidity, separation voltage, and working electrode potential--were evaluated to acquire the optimum analysis conditions. Under the optimum conditions, the analytes could be well separated within 19 min in a 40-mmol/L borate buffer (pH 9.2). The response was linear over three orders of magnitude with detection limits (S/N = 3) ranging from 4.97 x 10(-8) to 9.75 x 10(-8) g/mL. The method has been successfully applied for the analysis of corn silk, leaf, and kernel with satisfactory results.

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.

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.

Background field removal technique using regularization enabled sophisticated harmonic artifact reduction for phase data with varying kernel sizes.

PubMed

Kan, Hirohito; Kasai, Harumasa; Arai, Nobuyuki; Kunitomo, Hiroshi; Hirose, Yasujiro; Shibamoto, Yuta

2016-09-01

An effective background field removal technique is desired for more accurate quantitative susceptibility mapping (QSM) prior to dipole inversion. The aim of this study was to evaluate the accuracy of regularization enabled sophisticated harmonic artifact reduction for phase data with varying spherical kernel sizes (REV-SHARP) method using a three-dimensional head phantom and human brain data. The proposed REV-SHARP method used the spherical mean value operation and Tikhonov regularization in the deconvolution process, with varying 2-14mm kernel sizes. The kernel sizes were gradually reduced, similar to the SHARP with varying spherical kernel (VSHARP) method. We determined the relative errors and relationships between the true local field and estimated local field in REV-SHARP, VSHARP, projection onto dipole fields (PDF), and regularization enabled SHARP (RESHARP). Human experiment was also conducted using REV-SHARP, VSHARP, PDF, and RESHARP. The relative errors in the numerical phantom study were 0.386, 0.448, 0.838, and 0.452 for REV-SHARP, VSHARP, PDF, and RESHARP. REV-SHARP result exhibited the highest correlation between the true local field and estimated local field. The linear regression slopes were 1.005, 1.124, 0.988, and 0.536 for REV-SHARP, VSHARP, PDF, and RESHARP in regions of interest on the three-dimensional head phantom. In human experiments, no obvious errors due to artifacts were present in REV-SHARP. The proposed REV-SHARP is a new method combined with variable spherical kernel size and Tikhonov regularization. This technique might make it possible to be more accurate backgroud field removal and help to achive better accuracy of QSM. Copyright © 2016 Elsevier Inc. All rights reserved.

Seismic Imaging of VTI, HTI and TTI based on Adjoint Methods

NASA Astrophysics Data System (ADS)

Rusmanugroho, H.; Tromp, J.

2014-12-01

Recent studies show that isotropic seismic imaging based on adjoint method reduces low-frequency artifact caused by diving waves, which commonly occur in two-wave wave-equation migration, such as Reverse Time Migration (RTM). Here, we derive new expressions of sensitivity kernels for Vertical Transverse Isotropy (VTI) using the Thomsen parameters (ɛ, δ, γ) plus the P-, and S-wave speeds (α, β) as well as via the Chen & Tromp (GJI 2005) parameters (A, C, N, L, F). For Horizontal Transverse Isotropy (HTI), these parameters depend on an azimuthal angle φ, where the tilt angle θ is equivalent to 90°, and for Tilted Transverse Isotropy (TTI), these parameters depend on both the azimuth and tilt angles. We calculate sensitivity kernels for each of these two approaches. Individual kernels ("images") are numerically constructed based on the interaction between the regular and adjoint wavefields in smoothed models which are in practice estimated through Full-Waveform Inversion (FWI). The final image is obtained as a result of summing all shots, which are well distributed to sample the target model properly. The impedance kernel, which is a sum of sensitivity kernels of density and the Thomsen or Chen & Tromp parameters, looks crisp and promising for seismic imaging. The other kernels suffer from low-frequency artifacts, similar to traditional seismic imaging conditions. However, all sensitivity kernels are important for estimating the gradient of the misfit function, which, in combination with a standard gradient-based inversion algorithm, is used to minimize the objective function in FWI.

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

An improved robust blind motion de-blurring algorithm for remote sensing images

NASA Astrophysics Data System (ADS)

He, Yulong; Liu, Jin; Liang, Yonghui

2016-10-01

Shift-invariant motion blur can be modeled as a convolution of the true latent image and the blur kernel with additive noise. Blind motion de-blurring estimates a sharp image from a motion blurred image without the knowledge of the blur kernel. This paper proposes an improved edge-specific motion de-blurring algorithm which proved to be fit for processing remote sensing images. We find that an inaccurate blur kernel is the main factor to the low-quality restored images. To improve image quality, we do the following contributions. For the robust kernel estimation, first, we adapt the multi-scale scheme to make sure that the edge map could be constructed accurately; second, an effective salient edge selection method based on RTV (Relative Total Variation) is used to extract salient structure from texture; third, an alternative iterative method is introduced to perform kernel optimization, in this step, we adopt l1 and l0 norm as the priors to remove noise and ensure the continuity of blur kernel. For the final latent image reconstruction, an improved adaptive deconvolution algorithm based on TV-l2 model is used to recover the latent image; we control the regularization weight adaptively in different region according to the image local characteristics in order to preserve tiny details and eliminate noise and ringing artifacts. Some synthetic remote sensing images are used to test the proposed algorithm, and results demonstrate that the proposed algorithm obtains accurate blur kernel and achieves better de-blurring results.

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.

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.

Kernel and Traditional Equipercentile Equating with Degrees of Presmoothing. Research Report. ETS RR-07-15

ERIC Educational Resources Information Center

Moses, Tim; Holland, Paul

2007-01-01

The purpose of this study was to empirically evaluate the impact of loglinear presmoothing accuracy on equating bias and variability across chained and post-stratification equating methods, kernel and percentile-rank continuization methods, and sample sizes. The results of evaluating presmoothing on equating accuracy generally agreed with those of…

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 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.

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.

Inference of Spatio-Temporal Functions Over Graphs via Multikernel Kriged Kalman Filtering

NASA Astrophysics Data System (ADS)

Ioannidis, Vassilis N.; Romero, Daniel; Giannakis, Georgios B.

2018-06-01

Inference of space-time varying signals on graphs emerges naturally in a plethora of network science related applications. A frequently encountered challenge pertains to reconstructing such dynamic processes, given their values over a subset of vertices and time instants. The present paper develops a graph-aware kernel-based kriged Kalman filter that accounts for the spatio-temporal variations, and offers efficient online reconstruction, even for dynamically evolving network topologies. The kernel-based learning framework bypasses the need for statistical information by capitalizing on the smoothness that graph signals exhibit with respect to the underlying graph. To address the challenge of selecting the appropriate kernel, the proposed filter is combined with a multi-kernel selection module. Such a data-driven method selects a kernel attuned to the signal dynamics on-the-fly within the linear span of a pre-selected dictionary. The novel multi-kernel learning algorithm exploits the eigenstructure of Laplacian kernel matrices to reduce computational complexity. Numerical tests with synthetic and real data demonstrate the superior reconstruction performance of the novel approach relative to state-of-the-art alternatives.

CLAss-Specific Subspace Kernel Representations and Adaptive Margin Slack Minimization for Large Scale Classification.

PubMed

Yu, Yinan; Diamantaras, Konstantinos I; McKelvey, Tomas; Kung, Sun-Yuan

2018-02-01

In kernel-based classification models, given limited computational power and storage capacity, operations over the full kernel matrix becomes prohibitive. In this paper, we propose a new supervised learning framework using kernel models for sequential data processing. The framework is based on two components that both aim at enhancing the classification capability with a subset selection scheme. The first part is a subspace projection technique in the reproducing kernel Hilbert space using a CLAss-specific Subspace Kernel representation for kernel approximation. In the second part, we propose a novel structural risk minimization algorithm called the adaptive margin slack minimization to iteratively improve the classification accuracy by an adaptive data selection. We motivate each part separately, and then integrate them into learning frameworks for large scale data. We propose two such frameworks: the memory efficient sequential processing for sequential data processing and the parallelized sequential processing for distributed computing with sequential data acquisition. We test our methods on several benchmark data sets and compared with the state-of-the-art techniques to verify the validity of the proposed techniques.

A spatial scan statistic for nonisotropic two-level risk cluster.

PubMed

Li, Xiao-Zhou; Wang, Jin-Feng; Yang, Wei-Zhong; Li, Zhong-Jie; Lai, Sheng-Jie

2012-01-30

Spatial scan statistic methods are commonly used for geographical disease surveillance and cluster detection. The standard spatial scan statistic does not model any variability in the underlying risks of subregions belonging to a detected cluster. For a multilevel risk cluster, the isotonic spatial scan statistic could model a centralized high-risk kernel in the cluster. Because variations in disease risks are anisotropic owing to different social, economical, or transport factors, the real high-risk kernel will not necessarily take the central place in a whole cluster area. We propose a spatial scan statistic for a nonisotropic two-level risk cluster, which could be used to detect a whole cluster and a noncentralized high-risk kernel within the cluster simultaneously. The performance of the three methods was evaluated through an intensive simulation study. Our proposed nonisotropic two-level method showed better power and geographical precision with two-level risk cluster scenarios, especially for a noncentralized high-risk kernel. Our proposed method is illustrated using the hand-foot-mouth disease data in Pingdu City, Shandong, China in May 2009, compared with two other methods. In this practical study, the nonisotropic two-level method is the only way to precisely detect a high-risk area in a detected whole cluster. Copyright © 2011 John Wiley & Sons, Ltd.

Optimization of fixture layouts of glass laser optics using multiple kernel regression.

PubMed

Su, Jianhua; Cao, Enhua; Qiao, Hong

2014-05-10

We aim to build an integrated fixturing model to describe the structural properties and thermal properties of the support frame of glass laser optics. Therefore, (a) a near global optimal set of clamps can be computed to minimize the surface shape error of the glass laser optic based on the proposed model, and (b) a desired surface shape error can be obtained by adjusting the clamping forces under various environmental temperatures based on the model. To construct the model, we develop a new multiple kernel learning method and call it multiple kernel support vector functional regression. The proposed method uses two layer regressions to group and order the data sources by the weights of the kernels and the factors of the layers. Because of that, the influences of the clamps and the temperature can be evaluated by grouping them into different layers.

Nonparametric entropy estimation using kernel densities.

PubMed

Lake, Douglas E

2009-01-01

The entropy of experimental data from the biological and medical sciences provides additional information over summary statistics. Calculating entropy involves estimates of probability density functions, which can be effectively accomplished using kernel density methods. Kernel density estimation has been widely studied and a univariate implementation is readily available in MATLAB. The traditional definition of Shannon entropy is part of a larger family of statistics, called Renyi entropy, which are useful in applications that require a measure of the Gaussianity of data. Of particular note is the quadratic entropy which is related to the Friedman-Tukey (FT) index, a widely used measure in the statistical community. One application where quadratic entropy is very useful is the detection of abnormal cardiac rhythms, such as atrial fibrillation (AF). Asymptotic and exact small-sample results for optimal bandwidth and kernel selection to estimate the FT index are presented and lead to improved methods for entropy estimation.

Sensitivity Kernels for the Cross-Convolution Measure: Eliminate the Source in Waveform Tomography

NASA Astrophysics Data System (ADS)

Menke, W. H.

2017-12-01

We use the adjoint method to derive sensitivity kernels for the cross-convolution measure, a goodness-of-fit criterion that is applicable to seismic data containing closely-spaced multiple arrivals, such as reverberating compressional waves and split shear waves. In addition to a general formulation, specific expressions for sensitivity with respect to density, Lamé parameter and shear modulus are derived for a isotropic elastic solid. As is typical of adjoint methods, the kernels depend upon an adjoint field, the source of which, in this case, is the reference displacement field, pre-multiplied by a matrix of cross-correlations of components of the observed field. We use a numerical simulation to evaluate the resolving power of a topographic inversion that employs the cross-convolution measure. The estimated resolving kernel shows is point-like, indicating that the cross-convolution measure will perform well in waveform tomography settings.

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

Single-source dual-energy computed tomography: use of monoenergetic extrapolation for a reduction of metal artifacts.

PubMed

Mangold, Stefanie; Gatidis, Sergios; Luz, Oliver; König, Benjamin; Schabel, Christoph; Bongers, Malte N; Flohr, Thomas G; Claussen, Claus D; Thomas, Christoph

2014-12-01

The objective of this study was to retrospectively determine the potential of virtual monoenergetic (ME) reconstructions for a reduction of metal artifacts using a new-generation single-source computed tomographic (CT) scanner. The ethics committee of our institution approved this retrospective study with a waiver of the need for informed consent. A total of 50 consecutive patients (29 men and 21 women; mean [SD] age, 51.3 [16.7] years) with metal implants after osteosynthetic fracture treatment who had been examined using a single-source CT scanner (SOMATOM Definition Edge; Siemens Healthcare, Forchheim, Germany; consecutive dual-energy mode with 140 kV/80 kV) were selected. Using commercially available postprocessing software (syngo Dual Energy; Siemens AG), virtual ME data sets with extrapolated energy of 130 keV were generated (medium smooth convolution kernel D30) and compared with standard polyenergetic images reconstructed with a B30 (medium smooth) and a B70 (sharp) kernel. For quantification of the beam hardening artifacts, CT values were measured on circular lines surrounding bone and the osteosynthetic device, and frequency analyses of these values were performed using discrete Fourier transform. A high proportion of low frequencies to the spectrum indicates a high level of metal artifacts. The measurements in all data sets were compared using the Wilcoxon signed rank test. The virtual ME images with extrapolated energy of 130 keV showed significantly lower contribution of low frequencies after the Fourier transform compared with any polyenergetic data set reconstructed with D30, B70, and B30 kernels (P < 0.001). Sequential single-source dual-energy CT allows an efficient reduction of metal artifacts using high-energy ME extrapolation after osteosynthetic fracture treatment.

Sparse Event Modeling with Hierarchical Bayesian Kernel Methods

DTIC Science & Technology

2016-01-05

SECURITY CLASSIFICATION OF: The research objective of this proposal was to develop a predictive Bayesian kernel approach to model count data based on...several predictive variables. Such an approach, which we refer to as the Poisson Bayesian kernel model , is able to model the rate of occurrence of...which adds specificity to the model and can make nonlinear data more manageable. Early results show that the 1. REPORT DATE (DD-MM-YYYY) 4. TITLE

Comparisons of geoid models over Alaska computed with different Stokes' kernel modifications

NASA Astrophysics Data System (ADS)

Li, X.; Wang, Y.

2011-01-01

Various Stokes kernel modification methods have been developed over the years. The goal of this paper is to test the most commonly used Stokes kernel modifications numerically by using Alaska as a test area and EGM08 as a reference model. The tests show that some methods are more sensitive than others to the integration cap sizes. For instance, using the methods of Vaníček and Kleusberg or Featherstone et al. with kernel modification at degree 60, the geoid decreases by 30 cm (on average) when the cap size increases from 1° to 25°. The corresponding changes in the methods of Wong and Gore and Heck and Grüninger are only at the 1 cm level. At high modification degrees, above 360, the methods of Vaníček and Kleusberg and Featherstone et al become unstable because of numerical problems in the modification coefficients; similar conclusions have been reported by Featherstone (2003). In contrast, the methods of Wong and Gore, Heck and Grüninger and the least-squares spectral combination are stable at any modification degree, though they do not provide as good fit as the best case of the Molodenskii-type methods at the GPS/Leveling benchmarks. However, certain tests for choosing the cap size and modification degree have to be performed in advance to avoid abrupt mean geoid changes if the latter methods are applied.

Comparison of GATE/GEANT4 with EGSnrc and MCNP for electron dose calculations at energies between 15 keV and 20 MeV.

PubMed

Maigne, L; Perrot, Y; Schaart, D R; Donnarieix, D; Breton, V

2011-02-07

The GATE Monte Carlo simulation platform based on the GEANT4 toolkit has come into widespread use for simulating positron emission tomography (PET) and single photon emission computed tomography (SPECT) imaging devices. Here, we explore its use for calculating electron dose distributions in water. Mono-energetic electron dose point kernels and pencil beam kernels in water are calculated for different energies between 15 keV and 20 MeV by means of GATE 6.0, which makes use of the GEANT4 version 9.2 Standard Electromagnetic Physics Package. The results are compared to the well-validated codes EGSnrc and MCNP4C. It is shown that recent improvements made to the GEANT4/GATE software result in significantly better agreement with the other codes. We furthermore illustrate several issues of general interest to GATE and GEANT4 users who wish to perform accurate simulations involving electrons. Provided that the electron step size is sufficiently restricted, GATE 6.0 and EGSnrc dose point kernels are shown to agree to within less than 3% of the maximum dose between 50 keV and 4 MeV, while pencil beam kernels are found to agree to within less than 4% of the maximum dose between 15 keV and 20 MeV.

Antidiarrhoeal efficacy of Mangifera indica seed kernel on Swiss albino mice.

PubMed

Rajan, S; Suganya, H; Thirunalasundari, T; Jeeva, S

2012-08-01

To examine the antidiarrhoeal activity of alcoholic and aqueous seed kernel extract of Mangifera indica (M. indica) on castor oil-induced diarrhoeal activity in Swiss albino mice. Mango seed kernels were processed and extracted using alcohol and water. Antidiarrhoeal activity of the extracts were assessed using intestinal motility and faecal score methods. Aqueous and alcoholic extracts of M. indica significantly reduced intestinal motility and faecal score in Swiss albino mice. The present study shows the traditional claim on the use of M. indica seed kernel for treating diarrhoea in Southern parts of India. Copyright © 2012 Hainan Medical College. Published by Elsevier B.V. All rights reserved.

Spectrofluorimetric determination of melatonin in kernels of four different Pistacia varieties after ultrasound-assisted solid-liquid extraction.

PubMed

Oladi, Elham; Mohamadi, Maryam; Shamspur, Tayebeh; Mostafavi, Ali

2014-11-11

Melatonin is normally consumed to regulate the body's biological cycle. However it also has therapeutic properties, such as anti-tumor, anti-aging and protects the immune system. There are some reports on the presence of melatonin in edible kernels such as walnuts, but the extraction of melatonin from pistachio kernels is reported here for the first time. For this, the methanolic extract of pistachio kernels was exposed to gas chromatography/mass spectrometry analysis which confirmed the presence of melatonin. A fluorescence-based method was applied for the determination of melatonin in different extracts. When excited at λ=275 nm, the fluorescence emission intensity of melatonin was measured at λ=366 nm. Ultrasound-assisted solid-liquid extraction was used for the extraction of melatonin from pistachio kernels prior to fluorimetric determination. To achieve the highest extraction recovery, the main parameters affecting the extraction efficiency such as extracting solvent type and volume, temperature, sonication time and pH were evaluated. Under the optimized conditions, a linear dependence of fluorescence intensity on melatonin concentration was observed in the range of 0.0040-0.160 μg mL(-1), with a detection limit of 0.0036 μg mL(-1). This method was applied successfully for measuring and comparing the melatonin content in the kernels of four different varieties of Pistacia including Ahmad Aghaei, Akbari, Kalle Qouchi and Fandoghi. In addition, the results obtained were compared with those obtained using GC/MS. A good agreement was observed indicating the reliability of the proposed method. Copyright © 2014 Elsevier B.V. All rights reserved.

Spectrofluorimetric determination of melatonin in kernels of four different Pistacia varieties after ultrasound-assisted solid-liquid extraction

NASA Astrophysics Data System (ADS)

Oladi, Elham; Mohamadi, Maryam; Shamspur, Tayebeh; Mostafavi, Ali

2014-11-01

Melatonin is normally consumed to regulate the body's biological cycle. However it also has therapeutic properties, such as anti-tumor, anti-aging and protects the immune system. There are some reports on the presence of melatonin in edible kernels such as walnuts, but the extraction of melatonin from pistachio kernels is reported here for the first time. For this, the methanolic extract of pistachio kernels was exposed to gas chromatography/mass spectrometry analysis which confirmed the presence of melatonin. A fluorescence-based method was applied for the determination of melatonin in different extracts. When excited at λ = 275 nm, the fluorescence emission intensity of melatonin was measured at λ = 366 nm. Ultrasound-assisted solid-liquid extraction was used for the extraction of melatonin from pistachio kernels prior to fluorimetric determination. To achieve the highest extraction recovery, the main parameters affecting the extraction efficiency such as extracting solvent type and volume, temperature, sonication time and pH were evaluated. Under the optimized conditions, a linear dependence of fluorescence intensity on melatonin concentration was observed in the range of 0.0040-0.160 μg mL-1, with a detection limit of 0.0036 μg mL-1. This method was applied successfully for measuring and comparing the melatonin content in the kernels of four different varieties of Pistacia including Ahmad Aghaei, Akbari, Kalle Qouchi and Fandoghi. In addition, the results obtained were compared with those obtained using GC/MS. A good agreement was observed indicating the reliability of the proposed method.

Classification and quantification analysis of peach kernel from different origins with near-infrared diffuse reflection spectroscopy

PubMed Central

Liu, Wei; Wang, Zhen-Zhong; Qing, Jian-Ping; Li, Hong-Juan; Xiao, Wei

2014-01-01

Background: Peach kernels which contain kinds of fatty acids play an important role in the regulation of a variety of physiological and biological functions. Objective: To establish an innovative and rapid diffuse reflectance near-infrared spectroscopy (DR-NIR) analysis method along with chemometric techniques for the qualitative and quantitative determination of a peach kernel. Materials and Methods: Peach kernel samples from nine different origins were analyzed with high-performance liquid chromatography (HPLC) as a reference method. DR-NIR is in the spectral range 1100-2300 nm. Principal component analysis (PCA) and partial least squares regression (PLSR) algorithm were applied to obtain prediction models, The Savitzky-Golay derivative and first derivative were adopted for the spectral pre-processing, PCA was applied to classify the varieties of those samples. For the quantitative calibration, the models of linoleic and oleinic acids were established with the PLSR algorithm and the optimal principal component (PC) numbers were selected with leave-one-out (LOO) cross-validation. The established models were evaluated with the root mean square error of deviation (RMSED) and corresponding correlation coefficients (R2). Results: The PCA results of DR-NIR spectra yield clear classification of the two varieties of peach kernel. PLSR had a better predictive ability. The correlation coefficients of the two calibration models were above 0.99, and the RMSED of linoleic and oleinic acids were 1.266% and 1.412%, respectively. Conclusion: The DR-NIR combined with PCA and PLSR algorithm could be used efficiently to identify and quantify peach kernels and also help to solve variety problem. PMID:25422544

Simulation the Effect of Internal Wave on the Acoustic Propagation

NASA Astrophysics Data System (ADS)

Ko, D. S.

2005-05-01

An acoustic radiation transport model with the Monte Carlo solution has been developed and applied to study the effect of internal wave induced random oceanic fluctuations on the deep ocean acoustic propagation. Refraction in the ocean sound channel is performed by means of bi-cubic spline interpolation of discrete deterministic ray paths in the angle(energy)-range-depth coordinates. Scattering by random internal wave fluctuations is accomplished by sampling a power law scattering kernel applying the rejection method. Results from numerical experiments show that the mean positions of acoustic rays are significantly displaced tending toward the sound channel axis due to the asymmetry of the scattering kernel. The spreading of ray depths and angles about the means depends strongly on frequency. The envelope of the ray displacement spreading is found to be proportional to the square root of range which is different from "3/2 law" found in the non-channel case. Suppression of the spreading is due to the anisotropy of fluctuations and especially due to the presence of sound channel itself.

Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field

NASA Astrophysics Data System (ADS)

Van de Put, Maarten L.; Sorée, Bart; Magnus, Wim

2017-12-01

The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non-locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time-evolution of a one-dimensional resonant tunneling diode driven out of equilibrium.

Anelastic sensitivity kernels with parsimonious storage for adjoint tomography and full waveform inversion

NASA Astrophysics Data System (ADS)

Komatitsch, Dimitri; Xie, Zhinan; Bozdaǧ, Ebru; Sales de Andrade, Elliott; Peter, Daniel; Liu, Qinya; Tromp, Jeroen

2016-09-01

We introduce a technique to compute exact anelastic sensitivity kernels in the time domain using parsimonious disk storage. The method is based on a reordering of the time loop of time-domain forward/adjoint wave propagation solvers combined with the use of a memory buffer. It avoids instabilities that occur when time-reversing dissipative wave propagation simulations. The total number of required time steps is unchanged compared to usual acoustic or elastic approaches. The cost is reduced by a factor of 4/3 compared to the case in which anelasticity is partially accounted for by accommodating the effects of physical dispersion. We validate our technique by performing a test in which we compare the Kα sensitivity kernel to the exact kernel obtained by saving the entire forward calculation. This benchmark confirms that our approach is also exact. We illustrate the importance of including full attenuation in the calculation of sensitivity kernels by showing significant differences with physical-dispersion-only kernels.

Single kernel method for detection of 2-acetyl-1-pyrroline in aromatic rice germplasm using SPME-GC/MS

USDA-ARS?s Scientific Manuscript database

INTRODUCTION Aromatic rice or fragrant rice, (Oryza sativa L.), has a strong popcorn-like aroma due to the presence of a five-membered N-heterocyclic ring compound known as 2-acetyl-1-pyrroline (2-AP). To date, existing methods for detecting this compound in rice require the use of several kernels. ...

Predicting activity approach based on new atoms similarity kernel function.

PubMed

Abu El-Atta, Ahmed H; Moussa, M I; Hassanien, Aboul Ella

2015-07-01

Drug design is a high cost and long term process. To reduce time and costs for drugs discoveries, new techniques are needed. Chemoinformatics field implements the informational techniques and computer science like machine learning and graph theory to discover the chemical compounds properties, such as toxicity or biological activity. This is done through analyzing their molecular structure (molecular graph). To overcome this problem there is an increasing need for algorithms to analyze and classify graph data to predict the activity of molecules. Kernels methods provide a powerful framework which combines machine learning with graph theory techniques. These kernels methods have led to impressive performance results in many several chemoinformatics problems like biological activity prediction. This paper presents a new approach based on kernel functions to solve activity prediction problem for chemical compounds. First we encode all atoms depending on their neighbors then we use these codes to find a relationship between those atoms each other. Then we use relation between different atoms to find similarity between chemical compounds. The proposed approach was compared with many other classification methods and the results show competitive accuracy with these methods. Copyright © 2015 Elsevier Inc. All rights reserved.

Spatio-temporal Event Classification using Time-series Kernel based Structured Sparsity

PubMed Central

Jeni, László A.; Lőrincz, András; Szabó, Zoltán; Cohn, Jeffrey F.; Kanade, Takeo

2016-01-01

In many behavioral domains, such as facial expression and gesture, sparse structure is prevalent. This sparsity would be well suited for event detection but for one problem. Features typically are confounded by alignment error in space and time. As a consequence, high-dimensional representations such as SIFT and Gabor features have been favored despite their much greater computational cost and potential loss of information. We propose a Kernel Structured Sparsity (KSS) method that can handle both the temporal alignment problem and the structured sparse reconstruction within a common framework, and it can rely on simple features. We characterize spatio-temporal events as time-series of motion patterns and by utilizing time-series kernels we apply standard structured-sparse coding techniques to tackle this important problem. We evaluated the KSS method using both gesture and facial expression datasets that include spontaneous behavior and differ in degree of difficulty and type of ground truth coding. KSS outperformed both sparse and non-sparse methods that utilize complex image features and their temporal extensions. In the case of early facial event classification KSS had 10% higher accuracy as measured by F1 score over kernel SVM methods1. PMID:27830214

Sparse kernel methods for high-dimensional survival data.

PubMed

Evers, Ludger; Messow, Claudia-Martina

2008-07-15

Sparse kernel methods like support vector machines (SVM) have been applied with great success to classification and (standard) regression settings. Existing support vector classification and regression techniques however are not suitable for partly censored survival data, which are typically analysed using Cox's proportional hazards model. As the partial likelihood of the proportional hazards model only depends on the covariates through inner products, it can be 'kernelized'. The kernelized proportional hazards model however yields a solution that is dense, i.e. the solution depends on all observations. One of the key features of an SVM is that it yields a sparse solution, depending only on a small fraction of the training data. We propose two methods. One is based on a geometric idea, where-akin to support vector classification-the margin between the failed observation and the observations currently at risk is maximised. The other approach is based on obtaining a sparse model by adding observations one after another akin to the Import Vector Machine (IVM). Data examples studied suggest that both methods can outperform competing approaches. Software is available under the GNU Public License as an R package and can be obtained from the first author's website http://www.maths.bris.ac.uk/~maxle/software.html.

Locally adaptive methods for KDE-based random walk models of reactive transport in porous media

NASA Astrophysics Data System (ADS)

Sole-Mari, G.; Fernandez-Garcia, D.

2017-12-01

Random Walk Particle Tracking (RWPT) coupled with Kernel Density Estimation (KDE) has been recently proposed to simulate reactive transport in porous media. KDE provides an optimal estimation of the area of influence of particles which is a key element to simulate nonlinear chemical reactions. However, several important drawbacks can be identified: (1) the optimal KDE method is computationally intensive and thereby cannot be used at each time step of the simulation; (2) it does not take advantage of the prior information about the physical system and the previous history of the solute plume; (3) even if the kernel is optimal, the relative error in RWPT simulations typically increases over time as the particle density diminishes by dilution. To overcome these problems, we propose an adaptive branching random walk methodology that incorporates the physics, the particle history and maintains accuracy with time. The method allows particles to efficiently split and merge when necessary as well as to optimally adapt their local kernel shape without having to recalculate the kernel size. We illustrate the advantage of the method by simulating complex reactive transport problems in randomly heterogeneous porous media.

Water Quality Sensing and Spatio-Temporal Monitoring Structure with Autocorrelation Kernel Methods.

PubMed

Vizcaíno, Iván P; Carrera, Enrique V; Muñoz-Romero, Sergio; Cumbal, Luis H; Rojo-Álvarez, José Luis

2017-10-16

Pollution on water resources is usually analyzed with monitoring campaigns, which consist of programmed sampling, measurement, and recording of the most representative water quality parameters. These campaign measurements yields a non-uniform spatio-temporal sampled data structure to characterize complex dynamics phenomena. In this work, we propose an enhanced statistical interpolation method to provide water quality managers with statistically interpolated representations of spatial-temporal dynamics. Specifically, our proposal makes efficient use of the a priori available information of the quality parameter measurements through Support Vector Regression (SVR) based on Mercer's kernels. The methods are benchmarked against previously proposed methods in three segments of the Machángara River and one segment of the San Pedro River in Ecuador, and their different dynamics are shown by statistically interpolated spatial-temporal maps. The best interpolation performance in terms of mean absolute error was the SVR with Mercer's kernel given by either the Mahalanobis spatial-temporal covariance matrix or by the bivariate estimated autocorrelation function. In particular, the autocorrelation kernel provides with significant improvement of the estimation quality, consistently for all the six water quality variables, which points out the relevance of including a priori knowledge of the problem.

Water Quality Sensing and Spatio-Temporal Monitoring Structure with Autocorrelation Kernel Methods

PubMed Central

Vizcaíno, Iván P.; Muñoz-Romero, Sergio; Cumbal, Luis H.

2017-01-01

Pollution on water resources is usually analyzed with monitoring campaigns, which consist of programmed sampling, measurement, and recording of the most representative water quality parameters. These campaign measurements yields a non-uniform spatio-temporal sampled data structure to characterize complex dynamics phenomena. In this work, we propose an enhanced statistical interpolation method to provide water quality managers with statistically interpolated representations of spatial-temporal dynamics. Specifically, our proposal makes efficient use of the a priori available information of the quality parameter measurements through Support Vector Regression (SVR) based on Mercer’s kernels. The methods are benchmarked against previously proposed methods in three segments of the Machángara River and one segment of the San Pedro River in Ecuador, and their different dynamics are shown by statistically interpolated spatial-temporal maps. The best interpolation performance in terms of mean absolute error was the SVR with Mercer’s kernel given by either the Mahalanobis spatial-temporal covariance matrix or by the bivariate estimated autocorrelation function. In particular, the autocorrelation kernel provides with significant improvement of the estimation quality, consistently for all the six water quality variables, which points out the relevance of including a priori knowledge of the problem. PMID:29035333

Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials

NASA Astrophysics Data System (ADS)

Jin, Ye; Yang, Yang; Zhang, Du; Peng, Degao; Yang, Weitao

2017-10-01

The optimized effective potential (OEP) that gives accurate Kohn-Sham (KS) orbitals and orbital energies can be obtained from a given reference electron density. These OEP-KS orbitals and orbital energies are used here for calculating electronic excited states with the particle-particle random phase approximation (pp-RPA). Our calculations allow the examination of pp-RPA excitation energies with the exact KS density functional theory (DFT). Various input densities are investigated. Specifically, the excitation energies using the OEP with the electron densities from the coupled-cluster singles and doubles method display the lowest mean absolute error from the reference data for the low-lying excited states. This study probes into the theoretical limit of the pp-RPA excitation energies with the exact KS-DFT orbitals and orbital energies. We believe that higher-order correlation contributions beyond the pp-RPA bare Coulomb kernel are needed in order to achieve even higher accuracy in excitation energy calculations.

Evaluation of various carbon blacks and dispersing agents for use in the preparation of uranium microspheres with carbon

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

Hunt, Rodney Dale; Johnson, Jared A.; Collins, Jack Lee

A comparison study on carbon blacks and dispersing agents was performed to determine their impacts on the final properties of uranium fuel kernels with carbon. The main target compositions in this internal gelation study were 10 and 20 mol % uranium dicarbide (UC 2), which is UC 1.86, with the balance uranium dioxide. After heat treatment at 1900 K in flowing carbon monoxide in argon for 12 h, the density of the kernels produced using a X-energy proprietary carbon suspension, which is commercially available, ranged from 96% to 100% of theoretical density (TD), with full conversion of UC to UCmore » 2 at both carbon concentrations. However, higher carbon concentrations such as a 2.5 mol ratio of carbon to uranium in the feed solutions failed to produce gel spheres with the proprietary carbon suspension. The kernels using our former baseline of Mogul L carbon black and Tamol SN were 90–92% of TD with full conversion of UC to UC 2 at a variety of carbon levels. Raven 5000 carbon black and Tamol SN were used to produce 10 mol % UC2 kernels with 95% of TD. However, an increase in the Raven 5000 concentration led to a kernel density below 90% of TD. Raven 3500 carbon black and Tamol SN were used to make very dense kernels without complete conversion to UC 2. Lastly, the selection of the carbon black and dispersing agent is highly dependent on the desired final properties of the target kernels.« less

Evaluation of various carbon blacks and dispersing agents for use in the preparation of uranium microspheres with carbon

NASA Astrophysics Data System (ADS)

Hunt, R. D.; Johnson, J. A.; Collins, J. L.; McMurray, J. W.; Reif, T. J.; Brown, D. R.

2018-01-01

A comparison study on carbon blacks and dispersing agents was performed to determine their impacts on the final properties of uranium fuel kernels with carbon. The main target compositions in this internal gelation study were 10 and 20 mol % uranium dicarbide (UC2), which is UC1.86, with the balance uranium dioxide. After heat treatment at 1900 K in flowing carbon monoxide in argon for 12 h, the density of the kernels produced using a X-energy proprietary carbon suspension, which is commercially available, ranged from 96% to 100% of theoretical density (TD), with full conversion of UC to UC2 at both carbon concentrations. However, higher carbon concentrations such as a 2.5 mol ratio of carbon to uranium in the feed solutions failed to produce gel spheres with the proprietary carbon suspension. The kernels using our former baseline of Mogul L carbon black and Tamol SN were 90-92% of TD with full conversion of UC to UC2 at a variety of carbon levels. Raven 5000 carbon black and Tamol SN were used to produce 10 mol % UC2 kernels with 95% of TD. However, an increase in the Raven 5000 concentration led to a kernel density below 90% of TD. Raven 3500 carbon black and Tamol SN were used to make very dense kernels without complete conversion to UC2. The selection of the carbon black and dispersing agent is highly dependent on the desired final properties of the target kernels.

Evaluation of various carbon blacks and dispersing agents for use in the preparation of uranium microspheres with carbon

DOE PAGES

Hunt, Rodney Dale; Johnson, Jared A.; Collins, Jack Lee; ...

2017-10-12

A comparison study on carbon blacks and dispersing agents was performed to determine their impacts on the final properties of uranium fuel kernels with carbon. The main target compositions in this internal gelation study were 10 and 20 mol % uranium dicarbide (UC 2), which is UC 1.86, with the balance uranium dioxide. After heat treatment at 1900 K in flowing carbon monoxide in argon for 12 h, the density of the kernels produced using a X-energy proprietary carbon suspension, which is commercially available, ranged from 96% to 100% of theoretical density (TD), with full conversion of UC to UCmore » 2 at both carbon concentrations. However, higher carbon concentrations such as a 2.5 mol ratio of carbon to uranium in the feed solutions failed to produce gel spheres with the proprietary carbon suspension. The kernels using our former baseline of Mogul L carbon black and Tamol SN were 90–92% of TD with full conversion of UC to UC 2 at a variety of carbon levels. Raven 5000 carbon black and Tamol SN were used to produce 10 mol % UC2 kernels with 95% of TD. However, an increase in the Raven 5000 concentration led to a kernel density below 90% of TD. Raven 3500 carbon black and Tamol SN were used to make very dense kernels without complete conversion to UC 2. Lastly, the selection of the carbon black and dispersing agent is highly dependent on the desired final properties of the target kernels.« less

Effect of fat replacement by inulin or lupin-kernel fibre on sausage patty acceptability, post-meal perceptions of satiety and food intake in men.

PubMed

Archer, Bridie J; Johnson, Stuart K; Devereux, Helen M; Baxter, Amynta L

2004-04-01

The present study examined whether replacing fat with inulin or lupin-kernel fibre influenced palatability, perceptions of satiety, and food intake in thirty-three healthy men (mean age 52 years, BMI 27.4 kg/m(2)), using a within-subject design. On separate occasions, after fasting overnight, the participants consumed a breakfast consisting primarily of either a full-fat sausage patty (FFP) or a reduced-fat patty containing inulin (INP) or lupin-kernel fibre (LKP). Breakfast variants were alike in mass, protein and carbohydrate content; however the INP and LKP breakfasts were 36 and 37 % lower in fat and 15 and 17 % lower in energy density respectively compared with the FFP breakfast. The participants rated their satiety before breakfast then evaluated patty acceptability. Satiety was rated immediately after consuming the breakfast, then over the subsequent 4.5 h whilst fasting. Food consumed until the end of the following day was recorded. All patties were rated above 'neither acceptable or unacceptable', however the INP rated lower for general acceptability (P=0.039) and the LKP lower for flavour (P=0.023) than the FFP. The LKP breakfast rated more satiating than the INP (P=0.010) and FFP (P=0.016) breakfasts. Total fat intake was 18 g lower on the day of the INP (P=0.035) and 26 g lower on the day of the LKP breakfast (P=0.013) than the FFP breakfast day. Energy intake was lower (1521 kJ) only on the day of the INP breakfast (P=0.039). Both inulin and lupin-kernel fibre appear to have potential as fat replacers in meat products and for reducing fat and energy intake in men.

Integrating different data types by regularized unsupervised multiple kernel learning with application to cancer subtype discovery.

PubMed

Speicher, Nora K; Pfeifer, Nico

2015-06-15

Despite ongoing cancer research, available therapies are still limited in quantity and effectiveness, and making treatment decisions for individual patients remains a hard problem. Established subtypes, which help guide these decisions, are mainly based on individual data types. However, the analysis of multidimensional patient data involving the measurements of various molecular features could reveal intrinsic characteristics of the tumor. Large-scale projects accumulate this kind of data for various cancer types, but we still lack the computational methods to reliably integrate this information in a meaningful manner. Therefore, we apply and extend current multiple kernel learning for dimensionality reduction approaches. On the one hand, we add a regularization term to avoid overfitting during the optimization procedure, and on the other hand, we show that one can even use several kernels per data type and thereby alleviate the user from having to choose the best kernel functions and kernel parameters for each data type beforehand. We have identified biologically meaningful subgroups for five different cancer types. Survival analysis has revealed significant differences between the survival times of the identified subtypes, with P values comparable or even better than state-of-the-art methods. Moreover, our resulting subtypes reflect combined patterns from the different data sources, and we demonstrate that input kernel matrices with only little information have less impact on the integrated kernel matrix. Our subtypes show different responses to specific therapies, which could eventually assist in treatment decision making. An executable is available upon request. © The Author 2015. Published by Oxford University Press.

SU-F-SPS-09: Parallel MC Kernel Calculations for VMAT Plan Improvement

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

Chamberlain, S; Roswell Park Cancer Institute, Buffalo, NY; French, S

Purpose: Adding kernels (small perturbations in leaf positions) to the existing apertures of VMAT control points may improve plan quality. We investigate the calculation of kernel doses using a parallelized Monte Carlo (MC) method. Methods: A clinical prostate VMAT DICOM plan was exported from Eclipse. An arbitrary control point and leaf were chosen, and a modified MLC file was created, corresponding to the leaf position offset by 0.5cm. The additional dose produced by this 0.5 cm × 0.5 cm kernel was calculated using the DOSXYZnrc component module of BEAMnrc. A range of particle history counts were run (varying from 3more » × 10{sup 6} to 3 × 10{sup 7}); each job was split among 1, 10, or 100 parallel processes. A particle count of 3 × 10{sup 6} was established as the lower range because it provided the minimal accuracy level. Results: As expected, an increase in particle counts linearly increases run time. For the lowest particle count, the time varied from 30 hours for the single-processor run, to 0.30 hours for the 100-processor run. Conclusion: Parallel processing of MC calculations in the EGS framework significantly decreases time necessary for each kernel dose calculation. Particle counts lower than 1 × 10{sup 6} have too large of an error to output accurate dose for a Monte Carlo kernel calculation. Future work will investigate increasing the number of parallel processes and optimizing run times for multiple kernel calculations.« less

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.

A Kernel-Based Low-Rank (KLR) Model for Low-Dimensional Manifold Recovery in Highly Accelerated Dynamic MRI.

PubMed

Nakarmi, Ukash; Wang, Yanhua; Lyu, Jingyuan; Liang, Dong; Ying, Leslie

2017-11-01

While many low rank and sparsity-based approaches have been developed for accelerated dynamic magnetic resonance imaging (dMRI), they all use low rankness or sparsity in input space, overlooking the intrinsic nonlinear correlation in most dMRI data. In this paper, we propose a kernel-based framework to allow nonlinear manifold models in reconstruction from sub-Nyquist data. Within this framework, many existing algorithms can be extended to kernel framework with nonlinear models. In particular, we have developed a novel algorithm with a kernel-based low-rank model generalizing the conventional low rank formulation. The algorithm consists of manifold learning using kernel, low rank enforcement in feature space, and preimaging with data consistency. Extensive simulation and experiment results show that the proposed method surpasses the conventional low-rank-modeled approaches for dMRI.

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.

SVM and SVM Ensembles in Breast Cancer Prediction.

PubMed

Huang, Min-Wei; Chen, Chih-Wen; Lin, Wei-Chao; Ke, Shih-Wen; Tsai, Chih-Fong

2017-01-01

Breast cancer is an all too common disease in women, making how to effectively predict it an active research problem. A number of statistical and machine learning techniques have been employed to develop various breast cancer prediction models. Among them, support vector machines (SVM) have been shown to outperform many related techniques. To construct the SVM classifier, it is first necessary to decide the kernel function, and different kernel functions can result in different prediction performance. However, there have been very few studies focused on examining the prediction performances of SVM based on different kernel functions. Moreover, it is unknown whether SVM classifier ensembles which have been proposed to improve the performance of single classifiers can outperform single SVM classifiers in terms of breast cancer prediction. Therefore, the aim of this paper is to fully assess the prediction performance of SVM and SVM ensembles over small and large scale breast cancer datasets. The classification accuracy, ROC, F-measure, and computational times of training SVM and SVM ensembles are compared. The experimental results show that linear kernel based SVM ensembles based on the bagging method and RBF kernel based SVM ensembles with the boosting method can be the better choices for a small scale dataset, where feature selection should be performed in the data pre-processing stage. For a large scale dataset, RBF kernel based SVM ensembles based on boosting perform better than the other classifiers.

SVM and SVM Ensembles in Breast Cancer Prediction

PubMed Central

Huang, Min-Wei; Chen, Chih-Wen; Lin, Wei-Chao; Ke, Shih-Wen; Tsai, Chih-Fong

2017-01-01

Breast cancer is an all too common disease in women, making how to effectively predict it an active research problem. A number of statistical and machine learning techniques have been employed to develop various breast cancer prediction models. Among them, support vector machines (SVM) have been shown to outperform many related techniques. To construct the SVM classifier, it is first necessary to decide the kernel function, and different kernel functions can result in different prediction performance. However, there have been very few studies focused on examining the prediction performances of SVM based on different kernel functions. Moreover, it is unknown whether SVM classifier ensembles which have been proposed to improve the performance of single classifiers can outperform single SVM classifiers in terms of breast cancer prediction. Therefore, the aim of this paper is to fully assess the prediction performance of SVM and SVM ensembles over small and large scale breast cancer datasets. The classification accuracy, ROC, F-measure, and computational times of training SVM and SVM ensembles are compared. The experimental results show that linear kernel based SVM ensembles based on the bagging method and RBF kernel based SVM ensembles with the boosting method can be the better choices for a small scale dataset, where feature selection should be performed in the data pre-processing stage. For a large scale dataset, RBF kernel based SVM ensembles based on boosting perform better than the other classifiers. PMID:28060807

Technical Note: Image filtering to make computer-aided detection robust to image reconstruction kernel choice in lung cancer CT screening

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

Ohkubo, Masaki, E-mail: mook@clg.niigata-u.ac.jp

Purpose: In lung cancer computed tomography (CT) screening, the performance of a computer-aided detection (CAD) system depends on the selection of the image reconstruction kernel. To reduce this dependence on reconstruction kernels, the authors propose a novel application of an image filtering method previously proposed by their group. Methods: The proposed filtering process uses the ratio of modulation transfer functions (MTFs) of two reconstruction kernels as a filtering function in the spatial-frequency domain. This method is referred to as MTF{sub ratio} filtering. Test image data were obtained from CT screening scans of 67 subjects who each had one nodule. Imagesmore » were reconstructed using two kernels: f{sub STD} (for standard lung imaging) and f{sub SHARP} (for sharp edge-enhancement lung imaging). The MTF{sub ratio} filtering was implemented using the MTFs measured for those kernels and was applied to the reconstructed f{sub SHARP} images to obtain images that were similar to the f{sub STD} images. A mean filter and a median filter were applied (separately) for comparison. All reconstructed and filtered images were processed using their prototype CAD system. Results: The MTF{sub ratio} filtered images showed excellent agreement with the f{sub STD} images. The standard deviation for the difference between these images was very small, ∼6.0 Hounsfield units (HU). However, the mean and median filtered images showed larger differences of ∼48.1 and ∼57.9 HU from the f{sub STD} images, respectively. The free-response receiver operating characteristic (FROC) curve for the f{sub SHARP} images indicated poorer performance compared with the FROC curve for the f{sub STD} images. The FROC curve for the MTF{sub ratio} filtered images was equivalent to the curve for the f{sub STD} images. However, this similarity was not achieved by using the mean filter or median filter. Conclusions: The accuracy of MTF{sub ratio} image filtering was verified and the method was demonstrated to be effective for reducing the kernel dependence of CAD performance.« less

K-space reconstruction with anisotropic kernel support (KARAOKE) for ultrafast partially parallel imaging

PubMed Central

Miao, Jun; Wong, Wilbur C. K.; Narayan, Sreenath; Wilson, David L.

2011-01-01

Purpose: Partially parallel imaging (PPI) greatly accelerates MR imaging by using surface coil arrays and under-sampling k-space. However, the reduction factor (R) in PPI is theoretically constrained by the number of coils (NC). A symmetrically shaped kernel is typically used, but this often prevents even the theoretically possible R from being achieved. Here, the authors propose a kernel design method to accelerate PPI faster than R = NC. Methods: K-space data demonstrates an anisotropic pattern that is correlated with the object itself and to the asymmetry of the coil sensitivity profile, which is caused by coil placement and B1 inhomogeneity. From spatial analysis theory, reconstruction of such pattern is best achieved by a signal-dependent anisotropic shape kernel. As a result, the authors propose the use of asymmetric kernels to improve k-space reconstruction. The authors fit a bivariate Gaussian function to the local signal magnitude of each coil, then threshold this function to extract the kernel elements. A perceptual difference model (Case-PDM) was employed to quantitatively evaluate image quality. Results: A MR phantom experiment showed that k-space anisotropy increased as a function of magnetic field strength. The authors tested a K-spAce Reconstruction with AnisOtropic KErnel support (“KARAOKE”) algorithm with both MR phantom and in vivo data sets, and compared the reconstructions to those produced by GRAPPA, a popular PPI reconstruction method. By exploiting k-space anisotropy, KARAOKE was able to better preserve edges, which is particularly useful for cardiac imaging and motion correction, while GRAPPA failed at a high R near or exceeding NC. KARAOKE performed comparably to GRAPPA at low Rs. Conclusions: As a rule of thumb, KARAOKE reconstruction should always be used for higher quality k-space reconstruction, particularly when PPI data is acquired at high Rs and∕or high field strength. PMID:22047378

Common spatial pattern combined with kernel linear discriminate and generalized radial basis function for motor imagery-based brain computer interface applications

NASA Astrophysics Data System (ADS)

Hekmatmanesh, Amin; Jamaloo, Fatemeh; Wu, Huapeng; Handroos, Heikki; Kilpeläinen, Asko

2018-04-01

Brain Computer Interface (BCI) can be a challenge for developing of robotic, prosthesis and human-controlled systems. This work focuses on the implementation of a common spatial pattern (CSP) base algorithm to detect event related desynchronization patterns. Utilizing famous previous work in this area, features are extracted by filter bank with common spatial pattern (FBCSP) method, and then weighted by a sensitive learning vector quantization (SLVQ) algorithm. In the current work, application of the radial basis function (RBF) as a mapping kernel of linear discriminant analysis (KLDA) method on the weighted features, allows the transfer of data into a higher dimension for more discriminated data scattering by RBF kernel. Afterwards, support vector machine (SVM) with generalized radial basis function (GRBF) kernel is employed to improve the efficiency and robustness of the classification. Averagely, 89.60% accuracy and 74.19% robustness are achieved. BCI Competition III, Iva data set is used to evaluate the algorithm for detecting right hand and foot imagery movement patterns. Results show that combination of KLDA with SVM-GRBF classifier makes 8.9% and 14.19% improvements in accuracy and robustness, respectively. For all the subjects, it is concluded that mapping the CSP features into a higher dimension by RBF and utilization GRBF as a kernel of SVM, improve the accuracy and reliability of the proposed method.

Convolution kernels for multi-wavelength imaging

NASA Astrophysics Data System (ADS)

Boucaud, A.; Bocchio, M.; Abergel, A.; Orieux, F.; Dole, H.; Hadj-Youcef, M. A.

2016-12-01

Astrophysical images issued from different instruments and/or spectral bands often require to be processed together, either for fitting or comparison purposes. However each image is affected by an instrumental response, also known as point-spread function (PSF), that depends on the characteristics of the instrument as well as the wavelength and the observing strategy. Given the knowledge of the PSF in each band, a straightforward way of processing images is to homogenise them all to a target PSF using convolution kernels, so that they appear as if they had been acquired by the same instrument. We propose an algorithm that generates such PSF-matching kernels, based on Wiener filtering with a tunable regularisation parameter. This method ensures all anisotropic features in the PSFs to be taken into account. We compare our method to existing procedures using measured Herschel/PACS and SPIRE PSFs and simulated JWST/MIRI PSFs. Significant gains up to two orders of magnitude are obtained with respect to the use of kernels computed assuming Gaussian or circularised PSFs. A software to compute these kernels is available at https://github.com/aboucaud/pypher

A Novel Mittag-Leffler Kernel Based Hybrid Fault Diagnosis Method for Wheeled Robot Driving System.

PubMed

Yuan, Xianfeng; Song, Mumin; Zhou, Fengyu; Chen, Zhumin; Li, Yan

2015-01-01

The wheeled robots have been successfully applied in many aspects, such as industrial handling vehicles, and wheeled service robots. To improve the safety and reliability of wheeled robots, this paper presents a novel hybrid fault diagnosis framework based on Mittag-Leffler kernel (ML-kernel) support vector machine (SVM) and Dempster-Shafer (D-S) fusion. Using sensor data sampled under different running conditions, the proposed approach initially establishes multiple principal component analysis (PCA) models for fault feature extraction. The fault feature vectors are then applied to train the probabilistic SVM (PSVM) classifiers that arrive at a preliminary fault diagnosis. To improve the accuracy of preliminary results, a novel ML-kernel based PSVM classifier is proposed in this paper, and the positive definiteness of the ML-kernel is proved as well. The basic probability assignments (BPAs) are defined based on the preliminary fault diagnosis results and their confidence values. Eventually, the final fault diagnosis result is archived by the fusion of the BPAs. Experimental results show that the proposed framework not only is capable of detecting and identifying the faults in the robot driving system, but also has better performance in stability and diagnosis accuracy compared with the traditional methods.

A Novel Mittag-Leffler Kernel Based Hybrid Fault Diagnosis Method for Wheeled Robot Driving System

PubMed Central

Yuan, Xianfeng; Song, Mumin; Chen, Zhumin; Li, Yan

2015-01-01

The wheeled robots have been successfully applied in many aspects, such as industrial handling vehicles, and wheeled service robots. To improve the safety and reliability of wheeled robots, this paper presents a novel hybrid fault diagnosis framework based on Mittag-Leffler kernel (ML-kernel) support vector machine (SVM) and Dempster-Shafer (D-S) fusion. Using sensor data sampled under different running conditions, the proposed approach initially establishes multiple principal component analysis (PCA) models for fault feature extraction. The fault feature vectors are then applied to train the probabilistic SVM (PSVM) classifiers that arrive at a preliminary fault diagnosis. To improve the accuracy of preliminary results, a novel ML-kernel based PSVM classifier is proposed in this paper, and the positive definiteness of the ML-kernel is proved as well. The basic probability assignments (BPAs) are defined based on the preliminary fault diagnosis results and their confidence values. Eventually, the final fault diagnosis result is archived by the fusion of the BPAs. Experimental results show that the proposed framework not only is capable of detecting and identifying the faults in the robot driving system, but also has better performance in stability and diagnosis accuracy compared with the traditional methods. PMID:26229526

Estimation of biological parameters of marine organisms using linear and nonlinear acoustic scattering model-based inversion methods.

PubMed

Chu, Dezhang; Lawson, Gareth L; Wiebe, Peter H

2016-05-01

The linear inversion commonly used in fisheries and zooplankton acoustics assumes a constant inversion kernel and ignores the uncertainties associated with the shape and behavior of the scattering targets, as well as other relevant animal parameters. Here, errors of the linear inversion due to uncertainty associated with the inversion kernel are quantified. A scattering model-based nonlinear inversion method is presented that takes into account the nonlinearity of the inverse problem and is able to estimate simultaneously animal abundance and the parameters associated with the scattering model inherent to the kernel. It uses sophisticated scattering models to estimate first, the abundance, and second, the relevant shape and behavioral parameters of the target organisms. Numerical simulations demonstrate that the abundance, size, and behavior (tilt angle) parameters of marine animals (fish or zooplankton) can be accurately inferred from the inversion by using multi-frequency acoustic data. The influence of the singularity and uncertainty in the inversion kernel on the inversion results can be mitigated by examining the singular values for linear inverse problems and employing a non-linear inversion involving a scattering model-based kernel.

Energy consumption optimization of the total-FETI solver by changing the CPU frequency

NASA Astrophysics Data System (ADS)

Horak, David; Riha, Lubomir; Sojka, Radim; Kruzik, Jakub; Beseda, Martin; Cermak, Martin; Schuchart, Joseph

2017-07-01

The energy consumption of supercomputers is one of the critical problems for the upcoming Exascale supercomputing era. The awareness of power and energy consumption is required on both software and hardware side. This paper deals with the energy consumption evaluation of the Finite Element Tearing and Interconnect (FETI) based solvers of linear systems, which is an established method for solving real-world engineering problems. We have evaluated the effect of the CPU frequency on the energy consumption of the FETI solver using a linear elasticity 3D cube synthetic benchmark. In this problem, we have evaluated the effect of frequency tuning on the energy consumption of the essential processing kernels of the FETI method. The paper provides results for two types of frequency tuning: (1) static tuning and (2) dynamic tuning. For static tuning experiments, the frequency is set before execution and kept constant during the runtime. For dynamic tuning, the frequency is changed during the program execution to adapt the system to the actual needs of the application. The paper shows that static tuning brings up 12% energy savings when compared to default CPU settings (the highest clock rate). The dynamic tuning improves this further by up to 3%.

Proper orthogonal decomposition-based spectral higher-order stochastic estimation

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

Baars, Woutijn J., E-mail: wbaars@unimelb.edu.au; Tinney, Charles E.

A unique routine, capable of identifying both linear and higher-order coherence in multiple-input/output systems, is presented. The technique combines two well-established methods: Proper Orthogonal Decomposition (POD) and Higher-Order Spectra Analysis. The latter of these is based on known methods for characterizing nonlinear systems by way of Volterra series. In that, both linear and higher-order kernels are formed to quantify the spectral (nonlinear) transfer of energy between the system's input and output. This reduces essentially to spectral Linear Stochastic Estimation when only first-order terms are considered, and is therefore presented in the context of stochastic estimation as spectral Higher-Order Stochastic Estimationmore » (HOSE). The trade-off to seeking higher-order transfer kernels is that the increased complexity restricts the analysis to single-input/output systems. Low-dimensional (POD-based) analysis techniques are inserted to alleviate this void as POD coefficients represent the dynamics of the spatial structures (modes) of a multi-degree-of-freedom system. The mathematical framework behind this POD-based HOSE method is first described. The method is then tested in the context of jet aeroacoustics by modeling acoustically efficient large-scale instabilities as combinations of wave packets. The growth, saturation, and decay of these spatially convecting wave packets are shown to couple both linearly and nonlinearly in the near-field to produce waveforms that propagate acoustically to the far-field for different frequency combinations.« less

Calculation of electron and isotopes dose point kernels with fluka Monte Carlo code for dosimetry in nuclear medicine therapy

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

Botta, F; Di Dia, A; Pedroli, G

The calculation of patient-specific dose distribution can be achieved by Monte Carlo simulations or by analytical methods. In this study, fluka Monte Carlo code has been considered for use in nuclear medicine dosimetry. Up to now, fluka has mainly been dedicated to other fields, namely high energy physics, radiation protection, and hadrontherapy. When first employing a Monte Carlo code for nuclear medicine dosimetry, its results concerning electron transport at energies typical of nuclear medicine applications need to be verified. This is commonly achieved by means of calculation of a representative parameter and comparison with reference data. Dose point kernel (DPK),more » quantifying the energy deposition all around a point isotropic source, is often the one.Methods: fluka DPKs have been calculated in both water and compact bone for monoenergetic electrons (10–3 MeV) and for beta emitting isotopes commonly used for therapy (89Sr, 90Y, 131I, 153Sm, 177Lu, 186Re, and 188Re). Point isotropic sources have been simulated at the center of a water (bone) sphere, and deposed energy has been tallied in concentric shells. fluka outcomes have been compared to penelope v.2008 results, calculated in this study as well. Moreover, in case of monoenergetic electrons in water, comparison with the data from the literature (etran, geant4, mcnpx) has been done. Maximum percentage differences within 0.8·RCSDA and 0.9·RCSDA for monoenergetic electrons (RCSDA being the continuous slowing down approximation range) and within 0.8·X90 and 0.9·X90 for isotopes (X90 being the radius of the sphere in which 90% of the emitted energy is absorbed) have been computed, together with the average percentage difference within 0.9·RCSDA and 0.9·X90 for electrons and isotopes, respectively.Results: Concerning monoenergetic electrons, within 0.8·RCSDA (where 90%–97% of the particle energy is deposed), fluka and penelope agree mostly within 7%, except for 10 and 20 keV electrons (12% in water, 8.3% in bone). The discrepancies between fluka and the other codes are of the same order of magnitude than those observed when comparing the other codes among them, which can be referred to the different simulation algorithms. When considering the beta spectra, discrepancies notably reduce: within 0.9·X90, fluka and penelope differ for less than 1% in water and less than 2% in bone with any of the isotopes here considered. Complete data of fluka DPKs are given as Supplementary Material as a tool to perform dosimetry by analytical point kernel convolution.Conclusions: fluka provides reliable results when transporting electrons in the low energy range, proving to be an adequate tool for nuclear medicine dosimetry.« less

Singularity Preserving Numerical Methods for Boundary Integral Equations

NASA Technical Reports Server (NTRS)

Kaneko, Hideaki (Principal Investigator)

1996-01-01

In the past twelve months (May 8, 1995 - May 8, 1996), under the cooperative agreement with Division of Multidisciplinary Optimization at NASA Langley, we have accomplished the following five projects: a note on the finite element method with singular basis functions; numerical quadrature for weakly singular integrals; superconvergence of degenerate kernel method; superconvergence of the iterated collocation method for Hammersteion equations; and singularity preserving Galerkin method for Hammerstein equations with logarithmic kernel. This final report consists of five papers describing these projects. Each project is preceeded by a brief abstract.

Practicable group testing method to evaluate weight/weight GMO content in maize grains.

PubMed

Mano, Junichi; Yanaka, Yuka; Ikezu, Yoko; Onishi, Mari; Futo, Satoshi; Minegishi, Yasutaka; Ninomiya, Kenji; Yotsuyanagi, Yuichi; Spiegelhalter, Frank; Akiyama, Hiroshi; Teshima, Reiko; Hino, Akihiro; Naito, Shigehiro; Koiwa, Tomohiro; Takabatake, Reona; Furui, Satoshi; Kitta, Kazumi

2011-07-13

Because of the increasing use of maize hybrids with genetically modified (GM) stacked events, the established and commonly used bulk sample methods for PCR quantification of GM maize in non-GM maize are prone to overestimate the GM organism (GMO) content, compared to the actual weight/weight percentage of GM maize in the grain sample. As an alternative method, we designed and assessed a group testing strategy in which the GMO content is statistically evaluated based on qualitative analyses of multiple small pools, consisting of 20 maize kernels each. This approach enables the GMO content evaluation on a weight/weight basis, irrespective of the presence of stacked-event kernels. To enhance the method's user-friendliness in routine application, we devised an easy-to-use PCR-based qualitative analytical method comprising a sample preparation step in which 20 maize kernels are ground in a lysis buffer and a subsequent PCR assay in which the lysate is directly used as a DNA template. This method was validated in a multilaboratory collaborative trial.

Personal sleep pattern visualization using sequence-based kernel self-organizing map on sound data.

PubMed

Wu, Hongle; Kato, Takafumi; Yamada, Tomomi; Numao, Masayuki; Fukui, Ken-Ichi

2017-07-01

We propose a method to discover sleep patterns via clustering of sound events recorded during sleep. The proposed method extends the conventional self-organizing map algorithm by kernelization and sequence-based technologies to obtain a fine-grained map that visualizes the distribution and changes of sleep-related events. We introduced features widely applied in sound processing and popular kernel functions to the proposed method to evaluate and compare performance. The proposed method provides a new aspect of sleep monitoring because the results demonstrate that sound events can be directly correlated to an individual's sleep patterns. In addition, by visualizing the transition of cluster dynamics, sleep-related sound events were found to relate to the various stages of sleep. Therefore, these results empirically warrant future study into the assessment of personal sleep quality using sound data. Copyright © 2017 Elsevier B.V. All rights reserved.

Increasing the Size of a Piece of Popcorn

NASA Astrophysics Data System (ADS)

Quinn, Paul; Hong, Daniel C.; Both, Joseph

2003-03-01

Popcorn is an extremely popular snack food in the world today. Thermodynamics can be used to analyze how popcorn is produced. By treating the popping mechanism of the corn as a thermodynamic expansion, a method of increasing the volume or size of a kernel of popcorn can be studied. By lowering the pressure surrounding the unpopped kernel, one can use a thermodynamic argument to show that the expanded volume of the kernel when it pops must increase. In this project, a variety of experiments are run to test the validity of this theory. The results show that there is a significant increase in the average kernel size when the pressure of the surroundings is reduced.

Increasing the size of a piece of popcorn

NASA Astrophysics Data System (ADS)

Quinn, Paul V.; Hong, Daniel C.; Both, J. A.

2005-08-01

Popcorn is an extremely popular snack food in the world today. Thermodynamics can be used to analyze how popcorn is produced. By treating the popping mechanism of the corn as a thermodynamic expansion, a method of increasing the volume or size of a kernel of popcorn can be studied. By lowering the pressure surrounding the unpopped kernel, one can use a thermodynamic argument to show that the expanded volume of the kernel when it pops must increase. In this project, a variety of experiments are run to test the qualitative validity of this theory. The results show that there is a significant increase in the average kernel size when the pressure of the surroundings is reduced.

Improving KPCA Online Extraction by Orthonormalization in the Feature Space.

PubMed

Souza Filho, Joao B O; Diniz, Paulo S R

2018-04-01

Recently, some online kernel principal component analysis (KPCA) techniques based on the generalized Hebbian algorithm (GHA) were proposed for use in large data sets, defining kernel components using concise dictionaries automatically extracted from data. This brief proposes two new online KPCA extraction algorithms, exploiting orthogonalized versions of the GHA rule. In both the cases, the orthogonalization of kernel components is achieved by the inclusion of some low complexity additional steps to the kernel Hebbian algorithm, thus not substantially affecting the computational cost of the algorithm. Results show improved convergence speed and accuracy of components extracted by the proposed methods, as compared with the state-of-the-art online KPCA extraction algorithms.

A simple and fast method for computing the relativistic Compton Scattering Kernel for radiative transfer

NASA Technical Reports Server (NTRS)

Kershaw, David S.; Prasad, Manoj K.; Beason, J. Douglas

1986-01-01

The Klein-Nishina differential cross section averaged over a relativistic Maxwellian electron distribution is analytically reduced to a single integral, which can then be rapidly evaluated in a variety of ways. A particularly fast method for numerically computing this single integral is presented. This is, to the authors' knowledge, the first correct computation of the Compton scattering kernel.

The resolvent of singular integral equations. [of kernel functions in mixed boundary value problems

NASA Technical Reports Server (NTRS)

Williams, M. H.

1977-01-01

The investigation reported is concerned with the construction of the resolvent for any given kernel function. In problems with ill-behaved inhomogeneous terms as, for instance, in the aerodynamic problem of flow over a flapped airfoil, direct numerical methods become very difficult. A description is presented of a solution method by resolvent which can be employed in such problems.

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.

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

Uniform Decay for Solutions of an Axially Moving Viscoelastic Beam

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

Kelleche, Abdelkarim, E-mail: kellecheabdelkarim@gmail.com; Tatar, Nasser-eddine, E-mail: tatarn@Kfupm.edu.sa

2017-06-15

The paper deals with an axially moving viscoelastic structure modeled as an Euler–Bernoulli beam. The aim is to suppress the transversal displacement (transversal vibrations) that occur during the axial motion of the beam. It is assumed that the beam is moving with a constant axial speed and it is subject to a nonlinear force at the right boundary. We prove that when the axial speed of the beam is smaller than a critical value, the dissipation produced by the viscoelastic material is sufficient to suppress the transversal vibrations. It is shown that the rate of decay of the energy dependsmore » on the kernel which arise in the viscoelastic term. We consider a general kernel and notice that solutions cannot decay faster than the kernel.« less

Determining the Parameters of Fractional Exponential Hereditary Kernels for Nonlinear Viscoelastic Materials

NASA Astrophysics Data System (ADS)

Golub, V. P.; Pavlyuk, Ya. V.; Fernati, P. V.

2013-03-01

The parameters of fractional-exponential hereditary kernels for nonlinear viscoelastic materials are determined. Methods for determining the parameters used in the third-order theory of viscoelasticity and in nonlinear theories based on the similarity of primary creep curves and the similarity of isochronous creep curves are analyzed. The parameters of fractional-exponential hereditary kernels are determined and tested against experimental data for microplastic, TC-8/3-250 glass-reinforced plastics, SVAM glass-reinforced plastics. The results (tables and plots) are analyzed

Three-Dimensional Sensitivity Kernels of Z/H Amplitude Ratios of Surface and Body Waves

NASA Astrophysics Data System (ADS)

Bao, X.; Shen, Y.

2017-12-01

The ellipticity of Rayleigh wave particle motion, or Z/H amplitude ratio, has received increasing attention in inversion for shallow Earth structures. Previous studies of the Z/H ratio assumed one-dimensional (1D) velocity structures beneath the receiver, ignoring the effects of three-dimensional (3D) heterogeneities on wave amplitudes. This simplification may introduce bias in the resulting models. Here we present 3D sensitivity kernels of the Z/H ratio to Vs, Vp, and density perturbations, based on finite-difference modeling of wave propagation in 3D structures and the scattering-integral method. Our full-wave approach overcomes two main issues in previous studies of Rayleigh wave ellipticity: (1) the finite-frequency effects of wave propagation in 3D Earth structures, and (2) isolation of the fundamental mode Rayleigh waves from Rayleigh wave overtones and converted Love waves. In contrast to the 1D depth sensitivity kernels in previous studies, our 3D sensitivity kernels exhibit patterns that vary with azimuths and distances to the receiver. The laterally-summed 3D sensitivity kernels and 1D depth sensitivity kernels, based on the same homogeneous reference model, are nearly identical with small differences that are attributable to the single period of the 1D kernels and a finite period range of the 3D kernels. We further verify the 3D sensitivity kernels by comparing the predictions from the kernels with the measurements from numerical simulations of wave propagation for models with various small-scale perturbations. We also calculate and verify the amplitude kernels for P waves. This study shows that both Rayleigh and body wave Z/H ratios provide vertical and lateral constraints on the structure near the receiver. With seismic arrays, the 3D kernels afford a powerful tool to use the Z/H ratios to obtain accurate and high-resolution Earth models.

A shortest-path graph kernel for estimating gene product semantic similarity.

PubMed

Alvarez, Marco A; Qi, Xiaojun; Yan, Changhui

2011-07-29

Existing methods for calculating semantic similarity between gene products using the Gene Ontology (GO) often rely on external resources, which are not part of the ontology. Consequently, changes in these external resources like biased term distribution caused by shifting of hot research topics, will affect the calculation of semantic similarity. One way to avoid this problem is to use semantic methods that are "intrinsic" to the ontology, i.e. independent of external knowledge. We present a shortest-path graph kernel (spgk) method that relies exclusively on the GO and its structure. In spgk, a gene product is represented by an induced subgraph of the GO, which consists of all the GO terms annotating it. Then a shortest-path graph kernel is used to compute the similarity between two graphs. In a comprehensive evaluation using a benchmark dataset, spgk compares favorably with other methods that depend on external resources. Compared with simUI, a method that is also intrinsic to GO, spgk achieves slightly better results on the benchmark dataset. Statistical tests show that the improvement is significant when the resolution and EC similarity correlation coefficient are used to measure the performance, but is insignificant when the Pfam similarity correlation coefficient is used. Spgk uses a graph kernel method in polynomial time to exploit the structure of the GO to calculate semantic similarity between gene products. It provides an alternative to both methods that use external resources and "intrinsic" methods with comparable performance.

Adaptive Shape Kernel-Based Mean Shift Tracker in Robot Vision System

PubMed Central

2016-01-01

This paper proposes an adaptive shape kernel-based mean shift tracker using a single static camera for the robot vision system. The question that we address in this paper is how to construct such a kernel shape that is adaptive to the object shape. We perform nonlinear manifold learning technique to obtain the low-dimensional shape space which is trained by training data with the same view as the tracking video. The proposed kernel searches the shape in the low-dimensional shape space obtained by nonlinear manifold learning technique and constructs the adaptive kernel shape in the high-dimensional shape space. It can improve mean shift tracker performance to track object position and object contour and avoid the background clutter. In the experimental part, we take the walking human as example to validate that our method is accurate and robust to track human position and describe human contour. PMID:27379165

Selecting good regions to deblur via relative total variation

NASA Astrophysics Data System (ADS)

Li, Lerenhan; Yan, Hao; Fan, Zhihua; Zheng, Hanqing; Gao, Changxin; Sang, Nong

2018-03-01

Image deblurring is to estimate the blur kernel and to restore the latent image. It is usually divided into two stage, including kernel estimation and image restoration. In kernel estimation, selecting a good region that contains structure information is helpful to the accuracy of estimated kernel. Good region to deblur is usually expert-chosen or in a trial-anderror way. In this paper, we apply a metric named relative total variation (RTV) to discriminate the structure regions from smooth and texture. Given a blurry image, we first calculate the RTV of each pixel to determine whether it is the pixel in structure region, after which, we sample the image in an overlapping way. At last, the sampled region that contains the most structure pixels is the best region to deblur. Both qualitative and quantitative experiments show that our proposed method can help to estimate the kernel accurately.

SU-E-T-236: Deconvolution of the Total Nuclear Cross-Sections of Therapeutic Protons and the Characterization of the Reaction Channels

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

Ulmer, W.

2015-06-15

Purpose: The knowledge of the total nuclear cross-section Qtot(E) of therapeutic protons Qtot(E) provides important information in advanced radiotherapy with protons, such as the decrease of fluence of primary protons, the release of secondary particles (neutrons, protons, deuterons, etc.), and the production of nuclear fragments (heavy recoils), which usually undergo β+/− decay by emission of γ-quanta. Therefore determination of Qtot(E) is an important tool for sophisticated calculation algorithms of dose distributions. This cross-section can be determined by a linear combination of shifted Gaussian kernels and an error-function. The resonances resulting from deconvolutions in the energy space can be associated withmore » typical nuclear reactions. Methods: The described method of the determination of Qtot(E) results from an extension of the Breit-Wigner formula and a rather extended version of the nuclear shell theory to include nuclear correlation effects, clusters and highly excited/virtually excited nuclear states. The elastic energy transfer of protons to nucleons (the quantum numbers of the target nucleus remain constant) can be removed by the mentioned deconvolution. Results: The deconvolution of the term related to the error-function of the type cerf*er((E-ETh)/σerf] is the main contribution to obtain various nuclear reactions as resonances, since the elastic part of energy transfer is removed. The nuclear products of various elements of therapeutic interest like oxygen, calcium are classified and calculated. Conclusions: The release of neutrons is completely underrated, in particular, for low-energy protons. The transport of seconary particles, e.g. cluster formation by deuterium, tritium and α-particles, show an essential contribution to secondary particles, and the heavy recoils, which create γ-quanta by decay reactions, lead to broadening of the scatter profiles. These contributions cannot be accounted for by one single Gaussian kernel for the description of lateral scatter.« less

Microwave moisture meter for in-shell almonds.

USDA-ARS?s Scientific Manuscript database

Determining almond kernel moisture content while still in the shell is important for both almond growers and processors. A dielectric method was developed for almond kernel moisture determination from dielectric measurements on in-shell almonds at a single microwave frequency. A sample holder was fi...

Data consistency-driven scatter kernel optimization for x-ray cone-beam CT

NASA Astrophysics Data System (ADS)

Kim, Changhwan; Park, Miran; Sung, Younghun; Lee, Jaehak; Choi, Jiyoung; Cho, Seungryong

2015-08-01

Accurate and efficient scatter correction is essential for acquisition of high-quality x-ray cone-beam CT (CBCT) images for various applications. This study was conducted to demonstrate the feasibility of using the data consistency condition (DCC) as a criterion for scatter kernel optimization in scatter deconvolution methods in CBCT. As in CBCT, data consistency in the mid-plane is primarily challenged by scatter, we utilized data consistency to confirm the degree of scatter correction and to steer the update in iterative kernel optimization. By means of the parallel-beam DCC via fan-parallel rebinning, we iteratively optimized the scatter kernel parameters, using a particle swarm optimization algorithm for its computational efficiency and excellent convergence. The proposed method was validated by a simulation study using the XCAT numerical phantom and also by experimental studies using the ACS head phantom and the pelvic part of the Rando phantom. The results showed that the proposed method can effectively improve the accuracy of deconvolution-based scatter correction. Quantitative assessments of image quality parameters such as contrast and structure similarity (SSIM) revealed that the optimally selected scatter kernel improves the contrast of scatter-free images by up to 99.5%, 94.4%, and 84.4%, and of the SSIM in an XCAT study, an ACS head phantom study, and a pelvis phantom study by up to 96.7%, 90.5%, and 87.8%, respectively. The proposed method can achieve accurate and efficient scatter correction from a single cone-beam scan without need of any auxiliary hardware or additional experimentation.

Green synthesis of Pd nanoparticles at Apricot kernel shell substrate using Salvia hydrangea extract: Catalytic activity for reduction of organic dyes.

PubMed

Khodadadi, Bahar; Bordbar, Maryam; Nasrollahzadeh, Mahmoud

2017-03-15

For the first time the extract of the plant of Salvia hydrangea was used to green synthesis of Pd nanoparticles (NPs) supported on Apricot kernel shell as an environmentally benign support. The Pd NPs/Apricot kernel shell as an effective catalyst was prepared through reduction of Pd 2+ ions using Salvia hydrangea extract as the reducing and capping agent and Pd NPs immobilization on Apricot kernel shell surface in the absence of any stabilizer or surfactant. According to FT-IR analysis, the hydroxyl groups of phenolics in Salvia hydrangea extract as bioreductant agents are directly responsible for the reduction of Pd 2+ ions and formation of Pd NPs. The as-prepared catalyst was characterized by Fourier transform infrared (FT-IR) and UV-Vis spectroscopy, field emission scanning electron microscopy (FESEM) equipped with an energy dispersive X-ray spectroscopy (EDS), Elemental mapping, X-ray diffraction analysis (XRD) and transmittance electron microscopy (TEM). The synthesized catalyst was used in the reduction of 4-nitrophenol (4-NP), Methyl Orange (MO), Methylene Blue (MB), Rhodamine B (RhB), and Congo Red (CR) at room temperature. The Pd NPs/Apricot kernel shell showed excellent catalytic activity in the reduction of these organic dyes. In addition, it was found that Pd NPs/Apricot kernel shell can be recovered and reused several times without significant loss of catalytic activity. Copyright © 2016 Elsevier Inc. All rights reserved.

Dielectric properties of almond kernels associated with radio frequency and microwave pasteurization

NASA Astrophysics Data System (ADS)

Li, Rui; Zhang, Shuang; Kou, Xiaoxi; Ling, Bo; Wang, Shaojin

2017-02-01

To develop advanced pasteurization treatments based on radio frequency (RF) or microwave (MW) energy, dielectric properties of almond kernels were measured by using an open-ended coaxial-line probe and impedance analyzer at frequencies between 10 and 3000 MHz, moisture contents between 4.2% to 19.6% w.b. and temperatures between 20 and 90 °C. The results showed that both dielectric constant and loss factor of the almond kernels decreased sharply with increasing frequency over the RF range (10-300 MHz), but gradually over the measured MW range (300-3000 MHz). Both dielectric constant and loss factor of almond kernels increased with increasing temperature and moisture content, and largely enhanced at higher temperature and moisture levels. Quadratic polynomial equations were developed to best fit the relationship between dielectric constant or loss factor at 27, 40, 915 or 2450 MHz and sample temperature/moisture content with R2 greater than 0.967. Penetration depth of electromagnetic wave into samples decreased with increasing frequency (27-2450 MHz), moisture content (4.2-19.6% w.b.) and temperature (20-90 °C). The temperature profiles of RF heated almond kernels under three moisture levels were made using experiment and computer simulation based on measured dielectric properties. Based on the result of this study, RF treatment has potential to be practically used for pasteurization of almond kernels with acceptable heating uniformity.

Dielectric properties of almond kernels associated with radio frequency and microwave pasteurization.

PubMed

Li, Rui; Zhang, Shuang; Kou, Xiaoxi; Ling, Bo; Wang, Shaojin

2017-02-10

To develop advanced pasteurization treatments based on radio frequency (RF) or microwave (MW) energy, dielectric properties of almond kernels were measured by using an open-ended coaxial-line probe and impedance analyzer at frequencies between 10 and 3000 MHz, moisture contents between 4.2% to 19.6% w.b. and temperatures between 20 and 90 °C. The results showed that both dielectric constant and loss factor of the almond kernels decreased sharply with increasing frequency over the RF range (10-300 MHz), but gradually over the measured MW range (300-3000 MHz). Both dielectric constant and loss factor of almond kernels increased with increasing temperature and moisture content, and largely enhanced at higher temperature and moisture levels. Quadratic polynomial equations were developed to best fit the relationship between dielectric constant or loss factor at 27, 40, 915 or 2450 MHz and sample temperature/moisture content with R 2 greater than 0.967. Penetration depth of electromagnetic wave into samples decreased with increasing frequency (27-2450 MHz), moisture content (4.2-19.6% w.b.) and temperature (20-90 °C). The temperature profiles of RF heated almond kernels under three moisture levels were made using experiment and computer simulation based on measured dielectric properties. Based on the result of this study, RF treatment has potential to be practically used for pasteurization of almond kernels with acceptable heating uniformity.

A dynamic kernel modifier for linux

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

Minnich, R. G.

2002-09-03

Dynamic Kernel Modifier, or DKM, is a kernel module for Linux that allows user-mode programs to modify the execution of functions in the kernel without recompiling or modifying the kernel source in any way. Functions may be traced, either function entry only or function entry and exit; nullified; or replaced with some other function. For the tracing case, function execution results in the activation of a watchpoint. When the watchpoint is activated, the address of the function is logged in a FIFO buffer that is readable by external applications. The watchpoints are time-stamped with the resolution of the processor highmore » resolution timers, which on most modem processors are accurate to a single processor tick. DKM is very similar to earlier systems such as the SunOS trace device or Linux TT. Unlike these two systems, and other similar systems, DKM requires no kernel modifications. DKM allows users to do initial probing of the kernel to look for performance problems, or even to resolve potential problems by turning functions off or replacing them. DKM watchpoints are not without cost: it takes about 200 nanoseconds to make a log entry on an 800 Mhz Pentium-Ill. The overhead numbers are actually competitive with other hardware-based trace systems, although it has less 'Los Alamos National Laboratory is operated by the University of California for the National Nuclear Security Administration of the United States Department of Energy under contract W-7405-ENG-36. accuracy than an In-Circuit Emulator such as the American Arium. Once the user has zeroed in on a problem, other mechanisms with a higher degree of accuracy can be used.« less

Incorporating temporal variation in seabird telemetry data: time variant kernel density models

USGS Publications Warehouse

Gilbert, Andrew; Adams, Evan M.; Anderson, Carl; Berlin, Alicia; Bowman, Timothy D.; Connelly, Emily; Gilliland, Scott; Gray, Carrie E.; Lepage, Christine; Meattey, Dustin; Montevecchi, William; Osenkowski, Jason; Savoy, Lucas; Stenhouse, Iain; Williams, Kathryn

2015-01-01

A key component of the Mid-Atlantic Baseline Studies project was tracking the individual movements of focal marine bird species (Red-throated Loon [Gavia stellata], Northern Gannet [Morus bassanus], and Surf Scoter [Melanitta perspicillata]) through the use of satellite telemetry. This element of the project was a collaborative effort with the Department of Energy (DOE), Bureau of Ocean Energy Management (BOEM), the U.S. Fish and Wildlife Service (USFWS), and Sea Duck Joint Venture (SDJV), among other organizations. Satellite telemetry is an effective and informative tool for understanding individual animal movement patterns, allowing researchers to mark an individual once, and thereafter follow the movements of the animal in space and time. Aggregating telemetry data from multiple individuals can provide information about the spatial use and temporal movements of populations. Tracking data is three dimensional, with the first two dimensions, X and Y, ordered along the third dimension, time. GIS software has many capabilities to store, analyze and visualize the location information, but little or no support for visualizing the temporal data, and tools for processing temporal data are lacking. We explored several ways of analyzing the movement patterns using the spatiotemporal data provided by satellite tags. Here, we present the results of one promising method: time-variant kernel density analysis (Keating and Cherry, 2009). The goal of this chapter is to demonstrate new methods in spatial analysis to visualize and interpret tracking data for a large number of individual birds across time in the mid-Atlantic study area and beyond. In this chapter, we placed greater emphasis on analytical methods than on the behavior and ecology of the animals tracked. For more detailed examinations of the ecology and wintering habitat use of the focal species in the midAtlantic, see Chapters 20-22.

Implementation and validation of collapsed cone superposition for radiopharmaceutical dosimetry of photon emitters

NASA Astrophysics Data System (ADS)

Sanchez-Garcia, Manuel; Gardin, Isabelle; Lebtahi, Rachida; Dieudonné, Arnaud

2015-10-01

Two collapsed cone (CC) superposition algorithms have been implemented for radiopharmaceutical dosimetry of photon emitters. The straight CC (SCC) superposition method uses a water energy deposition kernel (EDKw) for each electron, positron and photon components, while the primary and scatter CC (PSCC) superposition method uses different EDKw for primary and once-scattered photons. PSCC was implemented only for photons originating from the nucleus, precluding its application to positron emitters. EDKw are linearly scaled by radiological distance, taking into account tissue density heterogeneities. The implementation was tested on 100, 300 and 600 keV mono-energetic photons and 18F, 99mTc, 131I and 177Lu. The kernels were generated using the Monte Carlo codes MCNP and EGSnrc. The validation was performed on 6 phantoms representing interfaces between soft-tissues, lung and bone. The figures of merit were γ (3%, 3 mm) and γ (5%, 5 mm) criterions corresponding to the computation comparison on 80 absorbed doses (AD) points per phantom between Monte Carlo simulations and CC algorithms. PSCC gave better results than SCC for the lowest photon energy (100 keV). For the 3 isotopes computed with PSCC, the percentage of AD points satisfying the γ (5%, 5 mm) criterion was always over 99%. A still good but worse result was found with SCC, since at least 97% of AD-values verified the γ (5%, 5 mm) criterion, except a value of 57% for the 99mTc with the lung/bone interface. The CC superposition method for radiopharmaceutical dosimetry is a good alternative to Monte Carlo simulations while reducing computation complexity.

Implementation and validation of collapsed cone superposition for radiopharmaceutical dosimetry of photon emitters.

PubMed

Sanchez-Garcia, Manuel; Gardin, Isabelle; Lebtahi, Rachida; Dieudonné, Arnaud

2015-10-21

Two collapsed cone (CC) superposition algorithms have been implemented for radiopharmaceutical dosimetry of photon emitters. The straight CC (SCC) superposition method uses a water energy deposition kernel (EDKw) for each electron, positron and photon components, while the primary and scatter CC (PSCC) superposition method uses different EDKw for primary and once-scattered photons. PSCC was implemented only for photons originating from the nucleus, precluding its application to positron emitters. EDKw are linearly scaled by radiological distance, taking into account tissue density heterogeneities. The implementation was tested on 100, 300 and 600 keV mono-energetic photons and (18)F, (99m)Tc, (131)I and (177)Lu. The kernels were generated using the Monte Carlo codes MCNP and EGSnrc. The validation was performed on 6 phantoms representing interfaces between soft-tissues, lung and bone. The figures of merit were γ (3%, 3 mm) and γ (5%, 5 mm) criterions corresponding to the computation comparison on 80 absorbed doses (AD) points per phantom between Monte Carlo simulations and CC algorithms. PSCC gave better results than SCC for the lowest photon energy (100 keV). For the 3 isotopes computed with PSCC, the percentage of AD points satisfying the γ (5%, 5 mm) criterion was always over 99%. A still good but worse result was found with SCC, since at least 97% of AD-values verified the γ (5%, 5 mm) criterion, except a value of 57% for the (99m)Tc with the lung/bone interface. The CC superposition method for radiopharmaceutical dosimetry is a good alternative to Monte Carlo simulations while reducing computation complexity.

Reduction of Aflatoxins in Apricot Kernels by Electronic and Manual Color Sorting.

PubMed

Zivoli, Rosanna; Gambacorta, Lucia; Piemontese, Luca; Solfrizzo, Michele

2016-01-19

The efficacy of color sorting on reducing aflatoxin levels in shelled apricot kernels was assessed. Naturally-contaminated kernels were submitted to an electronic optical sorter or blanched, peeled, and manually sorted to visually identify and sort discolored kernels (dark and spotted) from healthy ones. The samples obtained from the two sorting approaches were ground, homogenized, and analysed by HPLC-FLD for their aflatoxin content. A mass balance approach was used to measure the distribution of aflatoxins in the collected fractions. Aflatoxin B₁ and B₂ were identified and quantitated in all collected fractions at levels ranging from 1.7 to 22,451.5 µg/kg of AFB₁ + AFB₂, whereas AFG₁ and AFG₂ were not detected. Excellent results were obtained by manual sorting of peeled kernels since the removal of discolored kernels (2.6%-19.9% of total peeled kernels) removed 97.3%-99.5% of total aflatoxins. The combination of peeling and visual/manual separation of discolored kernels is a feasible strategy to remove 97%-99% of aflatoxins accumulated in naturally-contaminated samples. Electronic optical sorter gave highly variable results since the amount of AFB₁ + AFB₂ measured in rejected fractions (15%-18% of total kernels) ranged from 13% to 59% of total aflatoxins. An improved immunoaffinity-based HPLC-FLD method having low limits of detection for the four aflatoxins (0.01-0.05 µg/kg) was developed and used to monitor the occurrence of aflatoxins in 47 commercial products containing apricot kernels and/or almonds commercialized in Italy. Low aflatoxin levels were found in 38% of the tested samples and ranged from 0.06 to 1.50 μg/kg for AFB₁ and from 0.06 to 1.79 μg/kg for total aflatoxins.

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.

Mixed kernel function support vector regression for global sensitivity analysis

NASA Astrophysics Data System (ADS)

Cheng, Kai; Lu, Zhenzhou; Wei, Yuhao; Shi, Yan; Zhou, Yicheng

2017-11-01

Global sensitivity analysis (GSA) plays an important role in exploring the respective effects of input variables on an assigned output response. Amongst the wide sensitivity analyses in literature, the Sobol indices have attracted much attention since they can provide accurate information for most models. In this paper, a mixed kernel function (MKF) based support vector regression (SVR) model is employed to evaluate the Sobol indices at low computational cost. By the proposed derivation, the estimation of the Sobol indices can be obtained by post-processing the coefficients of the SVR meta-model. The MKF is constituted by the orthogonal polynomials kernel function and Gaussian radial basis kernel function, thus the MKF possesses both the global characteristic advantage of the polynomials kernel function and the local characteristic advantage of the Gaussian radial basis kernel function. The proposed approach is suitable for high-dimensional and non-linear problems. Performance of the proposed approach is validated by various analytical functions and compared with the popular polynomial chaos expansion (PCE). Results demonstrate that the proposed approach is an efficient method for global sensitivity analysis.

Simultaneous spectrophotometric determination of four metals by two kinds of partial least squares methods

NASA Astrophysics Data System (ADS)

Gao, Ling; Ren, Shouxin

2005-10-01

Simultaneous determination of Ni(II), Cd(II), Cu(II) and Zn(II) was studied by two methods, kernel partial least squares (KPLS) and wavelet packet transform partial least squares (WPTPLS), with xylenol orange and cetyltrimethyl ammonium bromide as reagents in the medium pH = 9.22 borax-hydrochloric acid buffer solution. Two programs, PKPLS and PWPTPLS, were designed to perform the calculations. Data reduction was performed using kernel matrices and wavelet packet transform, respectively. In the KPLS method, the size of the kernel matrix is only dependent on the number of samples, thus the method was suitable for the data matrix with many wavelengths and fewer samples. Wavelet packet representations of signals provide a local time-frequency description, thus in the wavelet packet domain, the quality of the noise removal can be improved. In the WPTPLS by optimization, wavelet function and decomposition level were selected as Daubeches 12 and 5, respectively. Experimental results showed both methods to be successful even where there was severe overlap of spectra.

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.

Analyzing Kernel Matrices for the Identification of Differentially Expressed Genes

PubMed Central

Xia, Xiao-Lei; Xing, Huanlai; Liu, Xueqin

2013-01-01

One of the most important applications of microarray data is the class prediction of biological samples. For this purpose, statistical tests have often been applied to identify the differentially expressed genes (DEGs), followed by the employment of the state-of-the-art learning machines including the Support Vector Machines (SVM) in particular. The SVM is a typical sample-based classifier whose performance comes down to how discriminant samples are. However, DEGs identified by statistical tests are not guaranteed to result in a training dataset composed of discriminant samples. To tackle this problem, a novel gene ranking method namely the Kernel Matrix Gene Selection (KMGS) is proposed. The rationale of the method, which roots in the fundamental ideas of the SVM algorithm, is described. The notion of ''the separability of a sample'' which is estimated by performing -like statistics on each column of the kernel matrix, is first introduced. The separability of a classification problem is then measured, from which the significance of a specific gene is deduced. Also described is a method of Kernel Matrix Sequential Forward Selection (KMSFS) which shares the KMGS method's essential ideas but proceeds in a greedy manner. On three public microarray datasets, our proposed algorithms achieved noticeably competitive performance in terms of the B.632+ error rate. PMID:24349110

Effects of muffin processing on fumonisins from 14C-labeled toxins produced in cultured corn kernels.

PubMed

Avantaggiato, Giuseppina; De La Campa, Regina; Miller, J David; Visconti, Angelo

2003-10-01

The persistence of fumonisins during cooking is known to be affected by several factors, including thermal degradation and the presence of various ingredients in corn-based food recipes that can react with the toxin. A method for the production of corn kernels containing 14C-fumonisins was developed. The corn kernels were colonized by Fusarium verticillioides MRC 826 and supplemented with 1,2-14C-sodium acetate. The specific activity of 14C-FB1 produced made the study of its fate in cornmeal muffins possible. The double-extraction acetonitrile-water-methanol/immunoaffinity column/o-phthaldialdehyde high-performance liquid chromatography (HPLC) method was used to determine FB1 levels in cornmeal muffins. Reductions in FB1 levels in muffins spiked with 14C-labeled and unlabeled FB1 (43 and 48%, respectively) were similar, indicating that the extraction method was efficient and consistent with previous reports. However, with the labeled corn kernel material, recovery levels based on the 14C counts for the eluate from an immunoaffinity column were much higher (90%). This finding indicates that some fumonisin-related compounds other than FB1 that were present in the cornmeal were recognized by the antibodies but not by the HPLC method.

Prediction of heterotrimeric protein complexes by two-phase learning using neighboring kernels

PubMed Central

2014-01-01

Background Protein complexes play important roles in biological systems such as gene regulatory networks and metabolic pathways. Most methods for predicting protein complexes try to find protein complexes with size more than three. It, however, is known that protein complexes with smaller sizes occupy a large part of whole complexes for several species. In our previous work, we developed a method with several feature space mappings and the domain composition kernel for prediction of heterodimeric protein complexes, which outperforms existing methods. Results We propose methods for prediction of heterotrimeric protein complexes by extending techniques in the previous work on the basis of the idea that most heterotrimeric protein complexes are not likely to share the same protein with each other. We make use of the discriminant function in support vector machines (SVMs), and design novel feature space mappings for the second phase. As the second classifier, we examine SVMs and relevance vector machines (RVMs). We perform 10-fold cross-validation computational experiments. The results suggest that our proposed two-phase methods and SVM with the extended features outperform the existing method NWE, which was reported to outperform other existing methods such as MCL, MCODE, DPClus, CMC, COACH, RRW, and PPSampler for prediction of heterotrimeric protein complexes. Conclusions We propose two-phase prediction methods with the extended features, the domain composition kernel, SVMs and RVMs. The two-phase method with the extended features and the domain composition kernel using SVM as the second classifier is particularly useful for prediction of heterotrimeric protein complexes. PMID:24564744

How bandwidth selection algorithms impact exploratory data analysis using kernel density estimation.

PubMed

Harpole, Jared K; Woods, Carol M; Rodebaugh, Thomas L; Levinson, Cheri A; Lenze, Eric J

2014-09-01

Exploratory data analysis (EDA) can reveal important features of underlying distributions, and these features often have an impact on inferences and conclusions drawn from data. Graphical analysis is central to EDA, and graphical representations of distributions often benefit from smoothing. A viable method of estimating and graphing the underlying density in EDA is kernel density estimation (KDE). This article provides an introduction to KDE and examines alternative methods for specifying the smoothing bandwidth in terms of their ability to recover the true density. We also illustrate the comparison and use of KDE methods with 2 empirical examples. Simulations were carried out in which we compared 8 bandwidth selection methods (Sheather-Jones plug-in [SJDP], normal rule of thumb, Silverman's rule of thumb, least squares cross-validation, biased cross-validation, and 3 adaptive kernel estimators) using 5 true density shapes (standard normal, positively skewed, bimodal, skewed bimodal, and standard lognormal) and 9 sample sizes (15, 25, 50, 75, 100, 250, 500, 1,000, 2,000). Results indicate that, overall, SJDP outperformed all methods. However, for smaller sample sizes (25 to 100) either biased cross-validation or Silverman's rule of thumb was recommended, and for larger sample sizes the adaptive kernel estimator with SJDP was recommended. Information is provided about implementing the recommendations in the R computing language. PsycINFO Database Record (c) 2014 APA, all rights reserved.

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.

Reconstruction of noisy and blurred images using blur kernel

NASA Astrophysics Data System (ADS)

Ellappan, Vijayan; Chopra, Vishal

2017-11-01

Blur is a common in so many digital images. Blur can be caused by motion of the camera and scene object. In this work we proposed a new method for deblurring images. This work uses sparse representation to identify the blur kernel. By analyzing the image coordinates Using coarse and fine, we fetch the kernel based image coordinates and according to that observation we get the motion angle of the shaken or blurred image. Then we calculate the length of the motion kernel using radon transformation and Fourier for the length calculation of the image and we use Lucy Richardson algorithm which is also called NON-Blind(NBID) Algorithm for more clean and less noisy image output. All these operation will be performed in MATLAB IDE.

Reformulation of Possio's kernel with application to unsteady wind tunnel interference

NASA Technical Reports Server (NTRS)

Fromme, J. A.; Golberg, M. A.

1980-01-01

An efficient method for computing the Possio kernel has remained elusive up to the present time. In this paper the Possio is reformulated so that it can be computed accurately using existing high precision numerical quadrature techniques. Convergence to the correct values is demonstrated and optimization of the integration procedures is discussed. Since more general kernels such as those associated with unsteady flows in ventilated wind tunnels are analytic perturbations of the Possio free air kernel, a more accurate evaluation of their collocation matrices results with an exponential improvement in convergence. An application to predicting frequency response of an airfoil-trailing edge control system in a wind tunnel compared with that in free air is given showing strong interference effects.

Spatial Variability of Organic Carbon in a Fractured Mudstone and Its Effect on the Retention and Release of Trichloroethene (TCE)

NASA Astrophysics Data System (ADS)

Sole-Mari, G.; Fernandez-Garcia, D.

2016-12-01

Random Walk Particle Tracking (RWPT) coupled with Kernel Density Estimation (KDE) has been recently proposed to simulate reactive transport in porous media. KDE provides an optimal estimation of the area of influence of particles which is a key element to simulate nonlinear chemical reactions. However, several important drawbacks can be identified: (1) the optimal KDE method is computationally intensive and thereby cannot be used at each time step of the simulation; (2) it does not take advantage of the prior information about the physical system and the previous history of the solute plume; (3) even if the kernel is optimal, the relative error in RWPT simulations typically increases over time as the particle density diminishes by dilution. To overcome these problems, we propose an adaptive branching random walk methodology that incorporates the physics, the particle history and maintains accuracy with time. The method allows particles to efficiently split and merge when necessary as well as to optimally adapt their local kernel shape without having to recalculate the kernel size. We illustrate the advantage of the method by simulating complex reactive transport problems in randomly heterogeneous porous media.

Knowledge Driven Image Mining with Mixture Density Mercer Kernels

NASA Technical Reports Server (NTRS)

Srivastava, Ashok N.; Oza, Nikunj

2004-01-01

This paper presents a new methodology for automatic knowledge driven image 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. In that high dimensional feature space, linear clustering, prediction, and classification algorithms can be applied and the results can be mapped back down to the original image space. Thus, highly nonlinear structure in the image can be recovered through the use of well-known linear mathematics in the feature space. This process has a number of advantages over traditional methods in that it allows for nonlinear interactions to be modelled with only a marginal increase in computational costs. In this paper, we present the theory of Mercer Kernels, describe its use in image mining, discuss a new method to generate Mercer Kernels directly from data, and compare the results with existing algorithms on data from the MODIS (Moderate Resolution Spectral Radiometer) instrument taken over the Arctic region. We also discuss the potential application of these methods on the Intelligent Archive, a NASA initiative for developing a tagged image data warehouse for the Earth Sciences.

Feasibility of detecting aflatoxin B1 on inoculated maize kernels surface using Vis/NIR hyperspectral imaging.

PubMed

Wang, Wei; Heitschmidt, Gerald W; Windham, William R; Feldner, Peggy; Ni, Xinzhi; Chu, Xuan

2015-01-01

The feasibility of using a visible/near-infrared hyperspectral imaging system with a wavelength range between 400 and 1000 nm to detect and differentiate different levels of aflatoxin B1 (AFB1 ) artificially titrated on maize kernel surface was examined. To reduce the color effects of maize kernels, image analysis was limited to a subset of original spectra (600 to 1000 nm). Residual staining from the AFB1 on the kernels surface was selected as regions of interest for analysis. Principal components analysis (PCA) was applied to reduce the dimensionality of hyperspectral image data, and then a stepwise factorial discriminant analysis (FDA) was performed on latent PCA variables. The results indicated that discriminant factors F2 can be used to separate control samples from all of the other groups of kernels with AFB1 inoculated, whereas the discriminant factors F1 can be used to identify maize kernels with levels of AFB1 as low as 10 ppb. An overall classification accuracy of 98% was achieved. Finally, the peaks of β coefficients of the discrimination factors F1 and F2 were analyzed and several key wavelengths identified for differentiating maize kernels with and without AFB1 , as well as those with differing levels of AFB1 inoculation. Results indicated that Vis/NIR hyperspectral imaging technology combined with the PCA-FDA was a practical method to detect and differentiate different levels of AFB1 artificially inoculated on the maize kernels surface. However, indicated the potential to detect and differentiate naturally occurring toxins in maize kernel. © 2014 Institute of Food Technologists®

G-Hash: Towards Fast Kernel-based Similarity Search in Large Graph Databases.

PubMed

Wang, Xiaohong; Smalter, Aaron; Huan, Jun; Lushington, Gerald H

2009-01-01

Structured data including sets, sequences, trees and graphs, pose significant challenges to fundamental aspects of data management such as efficient storage, indexing, and similarity search. With the fast accumulation of graph databases, similarity search in graph databases has emerged as an important research topic. Graph similarity search has applications in a wide range of domains including cheminformatics, bioinformatics, sensor network management, social network management, and XML documents, among others.Most of the current graph indexing methods focus on subgraph query processing, i.e. determining the set of database graphs that contains the query graph and hence do not directly support similarity search. In data mining and machine learning, various graph kernel functions have been designed to capture the intrinsic similarity of graphs. Though successful in constructing accurate predictive and classification models for supervised learning, graph kernel functions have (i) high computational complexity and (ii) non-trivial difficulty to be indexed in a graph database.Our objective is to bridge graph kernel function and similarity search in graph databases by proposing (i) a novel kernel-based similarity measurement and (ii) an efficient indexing structure for graph data management. Our method of similarity measurement builds upon local features extracted from each node and their neighboring nodes in graphs. A hash table is utilized to support efficient storage and fast search of the extracted local features. Using the hash table, a graph kernel function is defined to capture the intrinsic similarity of graphs and for fast similarity query processing. We have implemented our method, which we have named G-hash, and have demonstrated its utility on large chemical graph databases. Our results show that the G-hash method achieves state-of-the-art performance for k-nearest neighbor (k-NN) classification. Most importantly, the new similarity measurement and the index structure is scalable to large database with smaller indexing size, faster indexing construction time, and faster query processing time as compared to state-of-the-art indexing methods such as C-tree, gIndex, and GraphGrep.

Visual Method for Detecting Contaminant on Dried Nutmeg Using Fluorescence Imaging

NASA Astrophysics Data System (ADS)

Dahlan, S. A.; Ahmad, U.; Subrata, I. D. M.

2018-05-01

Traditional practice of nutmeg sun-drying causes some fungi such as Aspergillus flavus to grow. One of the secondary metabolites of A. flavus named aflatoxin (AFs) is known to be carcinogenic, so the dried nutmeg kernel must be aflatoxin-free in the trading. Aflatoxin detection requires time and costly, make it difficult to conduct at the farmers level. This study aims to develop a simple and low-cost method to detect aflatoxin at the farmer level. Fresh nutmeg seeds were dried in two ways; sundried everyday (continuous), and sundried every two days (intermittent), both for around 18 days. The dried nutmeg seeds are then stored in a rice sack under normal conditions until the fungi grow, then they were opened and the images of kernels were captured using a CCD camera, with normal light and UV light sources. Visual observation on images captured in normal light source was able to detect the presence of fungi on dried kernels, by 28.0% for continuous and 26.2% for intermittent sun-drying. Visual observation on images captured in UV light source was able to detect the presence of aflatoxin on dried kernels, indicated by blue luminance on kernel, by 10.4% and 13.4% for continuous and intermittent sun-drying.

Intelligent Design of Metal Oxide Gas Sensor Arrays Using Reciprocal Kernel Support Vector Regression

NASA Astrophysics Data System (ADS)

Dougherty, Andrew W.

Metal oxides are a staple of the sensor industry. The combination of their sensitivity to a number of gases, and the electrical nature of their sensing mechanism, make the particularly attractive in solid state devices. The high temperature stability of the ceramic material also make them ideal for detecting combustion byproducts where exhaust temperatures can be high. However, problems do exist with metal oxide sensors. They are not very selective as they all tend to be sensitive to a number of reduction and oxidation reactions on the oxide's surface. This makes sensors with large numbers of sensors interesting to study as a method for introducing orthogonality to the system. Also, the sensors tend to suffer from long term drift for a number of reasons. In this thesis I will develop a system for intelligently modeling metal oxide sensors and determining their suitability for use in large arrays designed to analyze exhaust gas streams. It will introduce prior knowledge of the metal oxide sensors' response mechanisms in order to produce a response function for each sensor from sparse training data. The system will use the same technique to model and remove any long term drift from the sensor response. It will also provide an efficient means for determining the orthogonality of the sensor to determine whether they are useful in gas sensing arrays. The system is based on least squares support vector regression using the reciprocal kernel. The reciprocal kernel is introduced along with a method of optimizing the free parameters of the reciprocal kernel support vector machine. The reciprocal kernel is shown to be simpler and to perform better than an earlier kernel, the modified reciprocal kernel. Least squares support vector regression is chosen as it uses all of the training points and an emphasis was placed throughout this research for extracting the maximum information from very sparse data. The reciprocal kernel is shown to be effective in modeling the sensor responses in the time, gas and temperature domains, and the dual representation of the support vector regression solution is shown to provide insight into the sensor's sensitivity and potential orthogonality. Finally, the dual weights of the support vector regression solution to the sensor's response are suggested as a fitness function for a genetic algorithm, or some other method for efficiently searching large parameter spaces.

Temporal Effects on Internal Fluorescence Emissions Associated with Aflatoxin Contamination from Corn Kernel Cross-Sections Inoculated with Toxigenic and Atoxigenic Aspergillus flavus.

PubMed

Hruska, Zuzana; Yao, Haibo; Kincaid, Russell; Brown, Robert L; Bhatnagar, Deepak; Cleveland, Thomas E

2017-01-01

Non-invasive, easy to use and cost-effective technology offers a valuable alternative for rapid detection of carcinogenic fungal metabolites, namely aflatoxins, in commodities. One relatively recent development in this area is the use of spectral technology. Fluorescence hyperspectral imaging, in particular, offers a potential rapid and non-invasive method for detecting the presence of aflatoxins in maize infected with the toxigenic fungus Aspergillus flavus . Earlier studies have shown that whole maize kernels contaminated with aflatoxins exhibit different spectral signatures from uncontaminated kernels based on the external fluorescence emission of the whole kernels. Here, the effect of time on the internal fluorescence spectral emissions from cross-sections of kernels infected with toxigenic and atoxigenic A. flavus , were examined in order to elucidate the interaction between the fluorescence signals emitted by some aflatoxin contaminated maize kernels and the fungal invasion resulting in the production of aflatoxins. First, the difference in internal fluorescence emissions between cross-sections of kernels incubated in toxigenic and atoxigenic inoculum was assessed. Kernels were inoculated with each strain for 5, 7, and 9 days before cross-sectioning and imaging. There were 270 kernels (540 halves) imaged, including controls. Second, in a different set of kernels (15 kernels/group; 135 total), the germ of each kernel was separated from the endosperm to determine the major areas of aflatoxin accumulation and progression over nine growth days. Kernels were inoculated with toxigenic and atoxigenic fungal strains for 5, 7, and 9 days before the endosperm and germ were separated, followed by fluorescence hyperspectral imaging and chemical aflatoxin determination. A marked difference in fluorescence intensity was shown between the toxigenic and atoxigenic strains on day nine post-inoculation, which may be a useful indicator of the location of aflatoxin contamination. This finding suggests that both, the fluorescence peak shift and intensity as well as timing, may be essential in distinguishing toxigenic and atoxigenic fungi based on spectral features. Results also reveal a possible preferential difference in the internal colonization of maize kernels between the toxigenic and atoxigenic strains of A. flavus suggesting a potential window for differentiating the strains based on fluorescence spectra at specific time points.

Temporal Effects on Internal Fluorescence Emissions Associated with Aflatoxin Contamination from Corn Kernel Cross-Sections Inoculated with Toxigenic and Atoxigenic Aspergillus flavus

PubMed Central

Hruska, Zuzana; Yao, Haibo; Kincaid, Russell; Brown, Robert L.; Bhatnagar, Deepak; Cleveland, Thomas E.

2017-01-01

Non-invasive, easy to use and cost-effective technology offers a valuable alternative for rapid detection of carcinogenic fungal metabolites, namely aflatoxins, in commodities. One relatively recent development in this area is the use of spectral technology. Fluorescence hyperspectral imaging, in particular, offers a potential rapid and non-invasive method for detecting the presence of aflatoxins in maize infected with the toxigenic fungus Aspergillus flavus. Earlier studies have shown that whole maize kernels contaminated with aflatoxins exhibit different spectral signatures from uncontaminated kernels based on the external fluorescence emission of the whole kernels. Here, the effect of time on the internal fluorescence spectral emissions from cross-sections of kernels infected with toxigenic and atoxigenic A. flavus, were examined in order to elucidate the interaction between the fluorescence signals emitted by some aflatoxin contaminated maize kernels and the fungal invasion resulting in the production of aflatoxins. First, the difference in internal fluorescence emissions between cross-sections of kernels incubated in toxigenic and atoxigenic inoculum was assessed. Kernels were inoculated with each strain for 5, 7, and 9 days before cross-sectioning and imaging. There were 270 kernels (540 halves) imaged, including controls. Second, in a different set of kernels (15 kernels/group; 135 total), the germ of each kernel was separated from the endosperm to determine the major areas of aflatoxin accumulation and progression over nine growth days. Kernels were inoculated with toxigenic and atoxigenic fungal strains for 5, 7, and 9 days before the endosperm and germ were separated, followed by fluorescence hyperspectral imaging and chemical aflatoxin determination. A marked difference in fluorescence intensity was shown between the toxigenic and atoxigenic strains on day nine post-inoculation, which may be a useful indicator of the location of aflatoxin contamination. This finding suggests that both, the fluorescence peak shift and intensity as well as timing, may be essential in distinguishing toxigenic and atoxigenic fungi based on spectral features. Results also reveal a possible preferential difference in the internal colonization of maize kernels between the toxigenic and atoxigenic strains of A. flavus suggesting a potential window for differentiating the strains based on fluorescence spectra at specific time points. PMID:28966606

Stochastic quantization of topological field theory: Generalized Langevin equation with memory kernel

NASA Astrophysics Data System (ADS)

Menezes, G.; Svaiter, N. F.

2006-07-01

We use the method of stochastic quantization in a topological field theory defined in an Euclidean space, assuming a Langevin equation with a memory kernel. We show that our procedure for the Abelian Chern-Simons theory converges regardless of the nature of the Chern-Simons coefficient.

Near-infrared hyperspectral imaging for detecting Aflatoxin B1 of maize kernels

USDA-ARS?s Scientific Manuscript database

The feasibility of detecting the Aflatoxin B1 in maize kernels inoculated with Aspergillus flavus conidia in the field was assessed using near-infrared hyperspectral imaging technique. After pixel-level calibration, wavelength dependent offset, the masking method was adopted to reduce the noise and ...

Adaptive wiener image restoration kernel

DOEpatents

Yuan, Ding [Henderson, NV

2007-06-05

A method and device for restoration of electro-optical image data using an adaptive Wiener filter begins with constructing imaging system Optical Transfer Function, and the Fourier Transformations of the noise and the image. A spatial representation of the imaged object is restored by spatial convolution of the image using a Wiener restoration kernel.

Discrete element method as an approach to model the wheat milling process

USDA-ARS?s Scientific Manuscript database

It is a well-known phenomenon that break-release, particle size, and size distribution of wheat milling are functions of machine operational parameters and grain properties. Due to the non-uniformity of characteristics and properties of wheat kernels, the kernel physical and mechanical properties af...

Characterization of a maximum-likelihood nonparametric density estimator of kernel type

NASA Technical Reports Server (NTRS)

Geman, S.; Mcclure, D. E.

1982-01-01

Kernel type density estimators calculated by the method of sieves. Proofs are presented for the characterization theorem: Let x(1), x(2),...x(n) be a random sample from a population with density f(0). Let sigma 0 and consider estimators f of f(0) defined by (1).

A Comparison of Methods for Nonparametric Estimation of Item Characteristic Curves for Binary Items

ERIC Educational Resources Information Center

Lee, Young-Sun

2007-01-01

This study compares the performance of three nonparametric item characteristic curve (ICC) estimation procedures: isotonic regression, smoothed isotonic regression, and kernel smoothing. Smoothed isotonic regression, employed along with an appropriate kernel function, provides better estimates and also satisfies the assumption of strict…

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.

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

Accelerating Time Integration for the Shallow Water Equations on the Sphere Using GPUs

DOE PAGES

Archibald, R.; Evans, K. J.; Salinger, A.

2015-06-01

The push towards larger and larger computational platforms has made it possible for climate simulations to resolve climate dynamics across multiple spatial and temporal scales. This direction in climate simulation has created a strong need to develop scalable timestepping methods capable of accelerating throughput on high performance computing. This study details the recent advances in the implementation of implicit time stepping of the spectral element dynamical core within the United States Department of Energy (DOE) Accelerated Climate Model for Energy (ACME) on graphical processing units (GPU) based machines. We demonstrate how solvers in the Trilinos project are interfaced with ACMEmore » and GPU kernels to increase computational speed of the residual calculations in the implicit time stepping method for the atmosphere dynamics. We demonstrate the optimization gains and data structure reorganization that facilitates the performance improvements.« less

Frequency Domain Analysis of Narx Neural Networks

NASA Astrophysics Data System (ADS)

Chance, J. E.; Worden, K.; Tomlinson, G. R.

1998-06-01

A method is proposed for interpreting the behaviour of NARX neural networks. The correspondence between time-delay neural networks and Volterra series is extended to the NARX class of networks. The Volterra kernels, or rather, their Fourier transforms, are obtained via harmonic probing. In the same way that the Volterra kernels generalize the impulse response to non-linear systems, the Volterra kernel transforms can be viewed as higher-order analogues of the Frequency Response Functions commonly used in Engineering dynamics; they can be interpreted in much the same way.

On the logarithmic-singularity correction in the kernel function method of subsonic lifting-surface theory

NASA Technical Reports Server (NTRS)

Lan, C. E.; Lamar, J. E.

1977-01-01

A logarithmic-singularity correction factor is derived for use in kernel function methods associated with Multhopp's subsonic lifting-surface theory. Because of the form of the factor, a relation was formulated between the numbers of chordwise and spanwise control points needed for good accuracy. This formulation is developed and discussed. Numerical results are given to show the improvement of the computation with the new correction factor.

Product demand forecasts using wavelet kernel support vector machine and particle swarm optimization in manufacture system

NASA Astrophysics Data System (ADS)

Wu, Qi

2010-03-01

Demand forecasts play a crucial role in supply chain management. The future demand for a certain product is the basis for the respective replenishment systems. Aiming at demand series with small samples, seasonal character, nonlinearity, randomicity and fuzziness, the existing support vector kernel does not approach the random curve of the sales time series in the space (quadratic continuous integral space). In this paper, we present a hybrid intelligent system combining the wavelet kernel support vector machine and particle swarm optimization for demand forecasting. The results of application in car sale series forecasting show that the forecasting approach based on the hybrid PSOWv-SVM model is effective and feasible, the comparison between the method proposed in this paper and other ones is also given, which proves that this method is, for the discussed example, better than hybrid PSOv-SVM and other traditional methods.

Stochastic subset selection for learning with kernel machines.

PubMed

Rhinelander, Jason; Liu, Xiaoping P

2012-06-01

Kernel machines have gained much popularity in applications of machine learning. Support vector machines (SVMs) are a subset of kernel machines and generalize well for classification, regression, and anomaly detection tasks. The training procedure for traditional SVMs involves solving a quadratic programming (QP) problem. The QP problem scales super linearly in computational effort with the number of training samples and is often used for the offline batch processing of data. Kernel machines operate by retaining a subset of observed data during training. The data vectors contained within this subset are referred to as support vectors (SVs). The work presented in this paper introduces a subset selection method for the use of kernel machines in online, changing environments. Our algorithm works by using a stochastic indexing technique when selecting a subset of SVs when computing the kernel expansion. The work described here is novel because it separates the selection of kernel basis functions from the training algorithm used. The subset selection algorithm presented here can be used in conjunction with any online training technique. It is important for online kernel machines to be computationally efficient due to the real-time requirements of online environments. Our algorithm is an important contribution because it scales linearly with the number of training samples and is compatible with current training techniques. Our algorithm outperforms standard techniques in terms of computational efficiency and provides increased recognition accuracy in our experiments. We provide results from experiments using both simulated and real-world data sets to verify our algorithm.

Theory and implementation of H-matrix based iterative and direct solvers for Helmholtz and elastodynamic oscillatory kernels

NASA Astrophysics Data System (ADS)

Chaillat, Stéphanie; Desiderio, Luca; Ciarlet, Patrick

2017-12-01

In this work, we study the accuracy and efficiency of hierarchical matrix (H-matrix) based fast methods for solving dense linear systems arising from the discretization of the 3D elastodynamic Green's tensors. It is well known in the literature that standard H-matrix based methods, although very efficient tools for asymptotically smooth kernels, are not optimal for oscillatory kernels. H2-matrix and directional approaches have been proposed to overcome this problem. However the implementation of such methods is much more involved than the standard H-matrix representation. The central questions we address are twofold. (i) What is the frequency-range in which the H-matrix format is an efficient representation for 3D elastodynamic problems? (ii) What can be expected of such an approach to model problems in mechanical engineering? We show that even though the method is not optimal (in the sense that more involved representations can lead to faster algorithms) an efficient solver can be easily developed. The capabilities of the method are illustrated on numerical examples using the Boundary Element Method.

Generalized quantum kinetic expansion: Higher-order corrections to multichromophoric Förster theory

NASA Astrophysics Data System (ADS)

Wu, Jianlan; Gong, Zhihao; Tang, Zhoufei

2015-08-01

For a general two-cluster energy transfer network, a new methodology of the generalized quantum kinetic expansion (GQKE) method is developed, which predicts an exact time-convolution equation for the cluster population evolution under the initial condition of the local cluster equilibrium state. The cluster-to-cluster rate kernel is expanded over the inter-cluster couplings. The lowest second-order GQKE rate recovers the multichromophoric Förster theory (MCFT) rate. The higher-order corrections to the MCFT rate are systematically included using the continued fraction resummation form, resulting in the resummed GQKE method. The reliability of the GQKE methodology is verified in two model systems, revealing the relevance of higher-order corrections.

The flare kernel in the impulsive phase

NASA Technical Reports Server (NTRS)

Dejager, C.

1986-01-01

The impulsive phase of a flare is characterized by impulsive bursts of X-ray and microwave radiation, related to impulsive footpoint heating up to 50 or 60 MK, by upward gas velocities (150 to 400 km/sec) and by a gradual increase of the flare's thermal energy content. These phenomena, as well as non-thermal effects, are all related to the impulsive energy injection into the flare. The available observations are also quantitatively consistent with a model in which energy is injected into the flare by beams of energetic electrons, causing ablation of chromospheric gas, followed by convective rise of gas. Thus, a hole is burned into the chromosphere; at the end of impulsive phase of an average flare the lower part of that hole is situated about 1800 km above the photosphere. H alpha and other optical and UV line emission is radiated by a thin layer (approx. 20 km) at the bottom of the flare kernel. The upward rising and outward streaming gas cools down by conduction in about 45 s. The non-thermal effects in the initial phase are due to curtailing of the energy distribution function by escape of energetic electrons. The single flux tube model of a flare does not fit with these observations; instead we propose the spaghetti-bundle model. Microwave and gamma-ray observations suggest the occurrence of dense flare knots of approx. 800 km diameter, and of high temperature. Future observations should concentrate on locating the microwave/gamma-ray sources, and on determining the kernel's fine structure and the related multi-loop structure of the flaring area.

Quantitative comparison of noise texture across CT scanners from different manufacturers

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

Solomon, Justin B.; Christianson, Olav; Samei, Ehsan

2012-10-15

Purpose: To quantitatively compare noise texture across computed tomography (CT) scanners from different manufacturers using the noise power spectrum (NPS). Methods: The American College of Radiology CT accreditation phantom (Gammex 464, Gammex, Inc., Middleton, WI) was imaged on two scanners: Discovery CT 750HD (GE Healthcare, Waukesha, WI), and SOMATOM Definition Flash (Siemens Healthcare, Germany), using a consistent acquisition protocol (120 kVp, 0.625/0.6 mm slice thickness, 250 mAs, and 22 cm field of view). Images were reconstructed using filtered backprojection and a wide selection of reconstruction kernels. For each image set, the 2D NPS were estimated from the uniform section ofmore » the phantom. The 2D spectra were normalized by their integral value, radially averaged, and filtered by the human visual response function. A systematic kernel-by-kernel comparison across manufacturers was performed by computing the root mean square difference (RMSD) and the peak frequency difference (PFD) between the NPS from different kernels. GE and Siemens kernels were compared and kernel pairs that minimized the RMSD and |PFD| were identified. Results: The RMSD (|PFD|) values between the NPS of GE and Siemens kernels varied from 0.01 mm{sup 2} (0.002 mm{sup -1}) to 0.29 mm{sup 2} (0.74 mm{sup -1}). The GE kernels 'Soft,''Standard,''Chest,' and 'Lung' closely matched the Siemens kernels 'B35f,''B43f,''B41f,' and 'B80f' (RMSD < 0.05 mm{sup 2}, |PFD| < 0.02 mm{sup -1}, respectively). The GE 'Bone,''Bone+,' and 'Edge' kernels all matched most closely with Siemens 'B75f' kernel but with sizeable RMSD and |PFD| values up to 0.18 mm{sup 2} and 0.41 mm{sup -1}, respectively. These sizeable RMSD and |PFD| values corresponded to visually perceivable differences in the noise texture of the images. Conclusions: It is possible to use the NPS to quantitatively compare noise texture across CT systems. The degree to which similar texture across scanners could be achieved varies and is limited by the kernels available on each scanner.« less

SU-F-T-672: A Novel Kernel-Based Dose Engine for KeV Photon Beams

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

Reinhart, M; Fast, M F; Nill, S

2016-06-15

Purpose: Mimicking state-of-the-art patient radiotherapy with high precision irradiators for small animals allows advanced dose-effect studies and radiobiological investigations. One example is the implementation of pre-clinical IMRT-like irradiations, which requires the development of inverse planning for keV photon beams. As a first step, we present a novel kernel-based dose calculation engine for keV x-rays with explicit consideration of energy and material dependencies. Methods: We follow a superposition-convolution approach adapted to keV x-rays, based on previously published work on micro-beam therapy. In small animal radiotherapy, we assume local energy deposition at the photon interaction point, since the electron ranges in tissuemore » are of the same order of magnitude as the voxel size. This allows us to use photon-only kernel sets generated by MC simulations, which are pre-calculated for six energy windows and ten base materials. We validate our stand-alone dose engine against Geant4 MC simulations for various beam configurations in water, slab phantoms with bone and lung inserts, and on a mouse CT with (0.275mm)3 voxels. Results: We observe good agreement for all cases. For field sizes of 1mm{sup 2} to 1cm{sup 2} in water, the depth dose curves agree within 1% (mean), with the largest deviations in the first voxel (4%) and at depths>5cm (<2.5%). The out-of-field doses at 1cm depth agree within 8% (mean) for all but the smallest field size. In slab geometries, the mean agreement was within 3%, with maximum deviations of 8% at water-bone interfaces. The γ-index (1mm/1%) passing rate for a single-field mouse irradiation is 71%. Conclusion: The presented dose engine yields an accurate representation of keV-photon doses suitable for inverse treatment planning for IMRT. It has the potential to become a significantly faster yet sufficiently accurate alternative to full MC simulations. Further investigations will focus on energy sampling as well as calculation times. Research at ICR is also supported by Cancer Research UK under Programme C33589/A19727 and NHS funding to the NIHR Biomedical Research Centre at RMH and ICR. MFF is supported by Cancer Research UK under Programme C33589/A19908.« less

A comparison of skyshine computational methods.

PubMed

Hertel, Nolan E; Sweezy, Jeremy E; Shultis, J Kenneth; Warkentin, J Karl; Rose, Zachary J

2005-01-01

A variety of methods employing radiation transport and point-kernel codes have been used to model two skyshine problems. The first problem is a 1 MeV point source of photons on the surface of the earth inside a 2 m tall and 1 m radius silo having black walls. The skyshine radiation downfield from the point source was estimated with and without a 30-cm-thick concrete lid on the silo. The second benchmark problem is to estimate the skyshine radiation downfield from 12 cylindrical canisters emplaced in a low-level radioactive waste trench. The canisters are filled with ion-exchange resin with a representative radionuclide loading, largely 60Co, 134Cs and 137Cs. The solution methods include use of the MCNP code to solve the problem by directly employing variance reduction techniques, the single-scatter point kernel code GGG-GP, the QADMOD-GP point kernel code, the COHORT Monte Carlo code, the NAC International version of the SKYSHINE-III code, the KSU hybrid method and the associated KSU skyshine codes.

On the thermodynamic properties of thermal plasma in the flame kernel of hydrocarbon/air premixed gases

NASA Astrophysics Data System (ADS)

Askari, Omid; Beretta, Gian Paolo; Eisazadeh-Far, Kian; Metghalchi, Hameed

2016-07-01

Thermodynamic properties of hydrocarbon/air plasma mixtures at ultra-high temperatures must be precisely calculated due to important influence on the flame kernel formation and propagation in combusting flows and spark discharge applications. A new algorithm based on the complete chemical equilibrium assumption is developed to calculate the ultra-high temperature plasma composition and thermodynamic properties, including enthalpy, entropy, Gibbs free energy, specific heat at constant pressure, specific heat ratio, speed of sound, mean molar mass, and degree of ionization. The method is applied to compute the thermodynamic properties of H2/air and CH4/air plasma mixtures for different temperatures (1000-100 000 K), different pressures (10-6-100 atm), and different fuel/air equivalence ratios within flammability limit. In calculating the individual thermodynamic properties of the atomic species needed to compute the complete equilibrium composition, the Debye-Huckel cutoff criterion has been used for terminating the series expression of the electronic partition function so as to capture the reduction of the ionization potential due to pressure and the intense connection between the electronic partition function and the thermodynamic properties of the atomic species and the number of energy levels taken into account. Partition functions have been calculated using tabulated data for available atomic energy levels. The Rydberg and Ritz extrapolation and interpolation laws have been used for energy levels which are not observed. The calculated plasma properties are then presented as functions of temperature, pressure and equivalence ratio, in terms of a new set of thermodynamically self-consistent correlations that are shown to provide very accurate fits suitable for efficient use in CFD simulations. Comparisons with existing data for air plasma show excellent agreement.

Upgrading agricultural wastes using three different carbonization methods: Thermal, hydrothermal and vapothermal.

PubMed

Yeoh, Keat-Hor; Shafie, S A; Al-Attab, K A; Zainal, Z A

2018-06-15

In this study, three different methods for high quality solid fuel production were tested and compared experimentally. Oil palm empty fruit bunches, mesocarp fibers, palm kernel shells and rubber seeds shells were treated using thermal (TC), hydrothermal (HTC) and vapothermal (VTC) carbonization. All thermochemical methods were accomplished by using a custom made batch-type reactor. Utilization of novel single reactor equipped with suspended internal container provided efficient operation since both steam generator and raw materials were placed inside the same reactor. Highest energy densification was achieved by VTC process followed by TC and HTC processes. The heating value enhancement in VTC and TC was achieved by the increase in fixed carbon content and reduction in volatile matter. The formation of the spherical components in HTC hydrochar which gave a sharp peak at 340 °C in the DTG curves was suggested as the reason that led to the increment in energy content. Copyright © 2018 Elsevier Ltd. All rights reserved.

L2-norm multiple kernel learning and its application to biomedical data fusion

PubMed Central

2010-01-01

Background This paper introduces the notion of optimizing different norms in the dual problem of support vector machines with multiple kernels. The selection of norms yields different extensions of multiple kernel learning (MKL) such as L∞, L1, and L2 MKL. In particular, L2 MKL is a novel method that leads to non-sparse optimal kernel coefficients, which is different from the sparse kernel coefficients optimized by the existing L∞ MKL method. In real biomedical applications, L2 MKL may have more advantages over sparse integration method for thoroughly combining complementary information in heterogeneous data sources. Results We provide a theoretical analysis of the relationship between the L2 optimization of kernels in the dual problem with the L2 coefficient regularization in the primal problem. Understanding the dual L2 problem grants a unified view on MKL and enables us to extend the L2 method to a wide range of machine learning problems. We implement L2 MKL for ranking and classification problems and compare its performance with the sparse L∞ and the averaging L1 MKL methods. The experiments are carried out on six real biomedical data sets and two large scale UCI data sets. L2 MKL yields better performance on most of the benchmark data sets. In particular, we propose a novel L2 MKL least squares support vector machine (LSSVM) algorithm, which is shown to be an efficient and promising classifier for large scale data sets processing. Conclusions This paper extends the statistical framework of genomic data fusion based on MKL. Allowing non-sparse weights on the data sources is an attractive option in settings where we believe most data sources to be relevant to the problem at hand and want to avoid a "winner-takes-all" effect seen in L∞ MKL, which can be detrimental to the performance in prospective studies. The notion of optimizing L2 kernels can be straightforwardly extended to ranking, classification, regression, and clustering algorithms. To tackle the computational burden of MKL, this paper proposes several novel LSSVM based MKL algorithms. Systematic comparison on real data sets shows that LSSVM MKL has comparable performance as the conventional SVM MKL algorithms. Moreover, large scale numerical experiments indicate that when cast as semi-infinite programming, LSSVM MKL can be solved more efficiently than SVM MKL. Availability The MATLAB code of algorithms implemented in this paper is downloadable from http://homes.esat.kuleuven.be/~sistawww/bioi/syu/l2lssvm.html. PMID:20529363

X-ray photoelectron spectroscopic analysis of rice kernels and flours: Measurement of surface chemical composition.

PubMed

Nawaz, Malik A; Gaiani, Claire; Fukai, Shu; Bhandari, Bhesh

2016-12-01

The objectives of this study were to evaluate the ability of X-ray photoelectron spectroscopy (XPS) to differentiate rice macromolecules and to calculate the surface composition of rice kernels and flours. The uncooked kernels and flours surface composition of the two selected rice varieties, Thadokkham-11 (TDK11) and Doongara (DG) demonstrated an over-expression of lipids and proteins and an under-expression of starch compared to the bulk composition. The results of the study showed that XPS was able to differentiate rice polysaccharides (mainly starch), proteins and lipids in uncooked rice kernels and flours. Nevertheless, it was unable to distinguish components in cooked rice samples possibly due to complex interactions between gelatinized starch, denatured proteins and lipids. High resolution imaging methods (Scanning Electron Microscopy and Confocal Laser Scanning Microscopy) were employed to obtain complementary information about the properties and location of starch, proteins and lipids in rice kernels and flours. Copyright © 2016. Published by Elsevier Ltd.

Optimized data fusion for K-means Laplacian clustering

PubMed Central

Yu, Shi; Liu, Xinhai; Tranchevent, Léon-Charles; Glänzel, Wolfgang; Suykens, Johan A. K.; De Moor, Bart; Moreau, Yves

2011-01-01

Motivation: We propose a novel algorithm to combine multiple kernels and Laplacians for clustering analysis. The new algorithm is formulated on a Rayleigh quotient objective function and is solved as a bi-level alternating minimization procedure. Using the proposed algorithm, the coefficients of kernels and Laplacians can be optimized automatically. Results: Three variants of the algorithm are proposed. The performance is systematically validated on two real-life data fusion applications. The proposed Optimized Kernel Laplacian Clustering (OKLC) algorithms perform significantly better than other methods. Moreover, the coefficients of kernels and Laplacians optimized by OKLC show some correlation with the rank of performance of individual data source. Though in our evaluation the K values are predefined, in practical studies, the optimal cluster number can be consistently estimated from the eigenspectrum of the combined kernel Laplacian matrix. Availability: The MATLAB code of algorithms implemented in this paper is downloadable from http://homes.esat.kuleuven.be/~sistawww/bioi/syu/oklc.html. Contact: shiyu@uchicago.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:20980271

On the interpretation of kernels - Computer simulation of responses to impulse pairs

NASA Technical Reports Server (NTRS)

Hung, G.; Stark, L.; Eykhoff, P.

1983-01-01

A method is presented for the use of a unit impulse response and responses to impulse pairs of variable separation in the calculation of the second-degree kernels of a quadratic system. A quadratic system may be built from simple linear terms of known dynamics and a multiplier. Computer simulation results on quadratic systems with building elements of various time constants indicate reasonably that the larger time constant term before multiplication dominates in the envelope of the off-diagonal kernel curves as these move perpendicular to and away from the main diagonal. The smaller time constant term before multiplication combines with the effect of the time constant after multiplication to dominate in the kernel curves in the direction of the second-degree impulse response, i.e., parallel to the main diagonal. Such types of insight may be helpful in recognizing essential aspects of (second-degree) kernels; they may be used in simplifying the model structure and, perhaps, add to the physical/physiological understanding of the underlying processes.

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.

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.

[Research on the methods for multi-class kernel CSP-based feature extraction].

PubMed

Wang, Jinjia; Zhang, Lingzhi; Hu, Bei

2012-04-01

To relax the presumption of strictly linear patterns in the common spatial patterns (CSP), we studied the kernel CSP (KCSP). A new multi-class KCSP (MKCSP) approach was proposed in this paper, which combines the kernel approach with multi-class CSP technique. In this approach, we used kernel spatial patterns for each class against all others, and extracted signal components specific to one condition from EEG data sets of multiple conditions. Then we performed classification using the Logistic linear classifier. Brain computer interface (BCI) competition III_3a was used in the experiment. Through the experiment, it can be proved that this approach could decompose the raw EEG singles into spatial patterns extracted from multi-class of single trial EEG, and could obtain good classification results.

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

Schreiner, S.; Paschal, C.B.; Galloway, R.L.

Four methods of producing maximum intensity projection (MIP) images were studied and compared. Three of the projection methods differ in the interpolation kernel used for ray tracing. The interpolation kernels include nearest neighbor interpolation, linear interpolation, and cubic convolution interpolation. The fourth projection method is a voxel projection method that is not explicitly a ray-tracing technique. The four algorithms` performance was evaluated using a computer-generated model of a vessel and using real MR angiography data. The evaluation centered around how well an algorithm transferred an object`s width to the projection plane. The voxel projection algorithm does not suffer from artifactsmore » associated with the nearest neighbor algorithm. Also, a speed-up in the calculation of the projection is seen with the voxel projection method. Linear interpolation dramatically improves the transfer of width information from the 3D MRA data set over both nearest neighbor and voxel projection methods. Even though the cubic convolution interpolation kernel is theoretically superior to the linear kernel, it did not project widths more accurately than linear interpolation. A possible advantage to the nearest neighbor interpolation is that the size of small vessels tends to be exaggerated in the projection plane, thereby increasing their visibility. The results confirm that the way in which an MIP image is constructed has a dramatic effect on information contained in the projection. The construction method must be chosen with the knowledge that the clinical information in the 2D projections in general will be different from that contained in the original 3D data volume. 27 refs., 16 figs., 2 tabs.« less

Classifying four-category visual objects using multiple ERP components in single-trial ERP.

PubMed

Qin, Yu; Zhan, Yu; Wang, Changming; Zhang, Jiacai; Yao, Li; Guo, Xiaojuan; Wu, Xia; Hu, Bin

2016-08-01

Object categorization using single-trial electroencephalography (EEG) data measured while participants view images has been studied intensively. In previous studies, multiple event-related potential (ERP) components (e.g., P1, N1, P2, and P3) were used to improve the performance of object categorization of visual stimuli. In this study, we introduce a novel method that uses multiple-kernel support vector machine to fuse multiple ERP component features. We investigate whether fusing the potential complementary information of different ERP components (e.g., P1, N1, P2a, and P2b) can improve the performance of four-category visual object classification in single-trial EEGs. We also compare the classification accuracy of different ERP component fusion methods. Our experimental results indicate that the classification accuracy increases through multiple ERP fusion. Additional comparative analyses indicate that the multiple-kernel fusion method can achieve a mean classification accuracy higher than 72 %, which is substantially better than that achieved with any single ERP component feature (55.07 % for the best single ERP component, N1). We compare the classification results with those of other fusion methods and determine that the accuracy of the multiple-kernel fusion method is 5.47, 4.06, and 16.90 % higher than those of feature concatenation, feature extraction, and decision fusion, respectively. Our study shows that our multiple-kernel fusion method outperforms other fusion methods and thus provides a means to improve the classification performance of single-trial ERPs in brain-computer interface research.

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

Lung nodule detection by microdose CT versus chest radiography (standard and dual-energy subtracted).

PubMed

Ebner, Lukas; Bütikofer, Yanik; Ott, Daniel; Huber, Adrian; Landau, Julia; Roos, Justus E; Heverhagen, Johannes T; Christe, Andreas

2015-04-01

The purpose of this study was to investigate the feasibility of microdose CT using a comparable dose as for conventional chest radiographs in two planes including dual-energy subtraction for lung nodule assessment. We investigated 65 chest phantoms with 141 lung nodules, using an anthropomorphic chest phantom with artificial lung nodules. Microdose CT parameters were 80 kV and 6 mAs, with pitch of 2.2. Iterative reconstruction algorithms and an integrated circuit detector system (Stellar, Siemens Healthcare) were applied for maximum dose reduction. Maximum intensity projections (MIPs) were reconstructed. Chest radiographs were acquired in two projections with bone suppression. Four blinded radiologists interpreted the images in random order. A soft-tissue CT kernel (I30f) delivered better sensitivities in a pilot study than a hard kernel (I70f), with respective mean (SD) sensitivities of 91.1%±2.2% versus 85.6%±5.6% (p=0.041). Nodule size was measured accurately for all kernels. Mean clustered nodule sensitivity with chest radiography was 45.7%±8.1% (with bone suppression, 46.1%±8%; p=0.94); for microdose CT, nodule sensitivity was 83.6%±9% without MIP (with additional MIP, 92.5%±6%; p<10(-3)). Individual sensitivities of microdose CT for readers 1, 2, 3, and 4 were 84.3%, 90.7%, 68.6%, and 45.0%, respectively. Sensitivities with chest radiography for readers 1, 2, 3, and 4 were 42.9%, 58.6%, 36.4%, and 90.7%, respectively. In the per-phantom analysis, respective sensitivities of microdose CT versus chest radiography were 96.2% and 75% (p<10(-6)). The effective dose for chest radiography including dual-energy subtraction was 0.242 mSv; for microdose CT, the applied dose was 0.1323 mSv. Microdose CT is better than the combination of chest radiography and dual-energy subtraction for the detection of solid nodules between 5 and 12 mm at a lower dose level of 0.13 mSv. Soft-tissue kernels allow better sensitivities. These preliminary results indicate that microdose CT has the potential to replace conventional chest radiography for lung nodule detection.

Classification accuracy on the family planning participation status using kernel discriminant analysis

NASA Astrophysics Data System (ADS)

Kurniawan, Dian; Suparti; Sugito

2018-05-01

Population growth in Indonesia has increased every year. According to the population census conducted by the Central Bureau of Statistics (BPS) in 2010, the population of Indonesia has reached 237.6 million people. Therefore, to control the population growth rate, the government hold Family Planning or Keluarga Berencana (KB) program for couples of childbearing age. The purpose of this program is to improve the health of mothers and children in order to manifest prosperous society by controlling births while ensuring control of population growth. The data used in this study is the updated family data of Semarang city in 2016 that conducted by National Family Planning Coordinating Board (BKKBN). From these data, classifiers with kernel discriminant analysis will be obtained, and also classification accuracy will be obtained from that method. The result of the analysis showed that normal kernel discriminant analysis gives 71.05 % classification accuracy with 28.95 % classification error. Whereas triweight kernel discriminant analysis gives 73.68 % classification accuracy with 26.32 % classification error. Using triweight kernel discriminant for data preprocessing of family planning participation of childbearing age couples in Semarang City of 2016 can be stated better than with normal kernel discriminant.

Towards Seismic Tomography Based Upon Adjoint Methods

NASA Astrophysics Data System (ADS)

Tromp, J.; Liu, Q.; Tape, C.; Maggi, A.

2006-12-01

We outline the theory behind tomographic inversions based on 3D reference models, fully numerical 3D wave propagation, and adjoint methods. Our approach involves computing the Fréchet derivatives for tomographic inversions via the interaction between a forward wavefield, propagating from the source to the receivers, and an `adjoint' wavefield, propagating from the receivers back to the source. The forward wavefield is computed using a spectral-element method (SEM) and a heterogeneous wave-speed model, and stored as synthetic seismograms at particular receivers for which there is data. We specify an objective or misfit function that defines a measure of misfit between data and synthetics. For a given receiver, the differences between the data and the synthetics are time reversed and used as the source of the adjoint wavefield. For each earthquake, the interaction between the regular and adjoint wavefields is used to construct finite-frequency sensitivity kernels, which we call event kernel. These kernels may be thought of as weighted sums of measurement-specific banana-donut kernels, with weights determined by the measurements. The overall sensitivity is simply the sum of event kernels, which defines the misfit kernel. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, i.e., the Fréchet derivatives. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, i.e., the Fréchet derivatives. A conjugate gradient algorithm is used to iteratively improve the model while reducing the misfit function. Using 2D examples for Rayleigh wave phase-speed maps of southern California, we illustrate the construction of the gradient and the minimization algorithm, and consider various tomographic experiments, including source inversions, structural inversions, and joint source-structure inversions. We also illustrate the characteristics of these 3D finite-frequency kernels based upon adjoint simulations for a variety of global arrivals, e.g., Pdiff, P'P', and SKS, and we illustrate how the approach may be used to investigate body- and surface-wave anisotropy. In adjoint tomography any time segment in which the data and synthetics match reasonably well is suitable for measurement, and this implies a much greater number of phases per seismogram can be used compared to classical tomography in which the sensitivity of the measurements is determined analytically for specific arrivals, e.g., P. We use an automated picking algorithm based upon short-term/long-term averages and strict phase and amplitude anomaly criteria to determine arrivals and time windows suitable for measurement. For shallow global events the algorithm typically identifies of the order of 1000~windows suitable for measurement, whereas for a deep event the number can reach 4000. For southern California earthquakes the number of phases is of the order of 100 for a magnitude 4.0 event and up to 450 for a magnitude 5.0 event. We will show examples of event kernels for both global and regional earthquakes. These event kernels form the basis of adjoint tomography.

An Efficient Method Coupling Kernel Principal Component Analysis with Adjoint-Based Optimal Control and Its Goal-Oriented Extensions

NASA Astrophysics Data System (ADS)

Thimmisetty, C.; Talbot, C.; Tong, C. H.; Chen, X.

2016-12-01

The representativeness of available data poses a significant fundamental challenge to the quantification of uncertainty in geophysical systems. Furthermore, the successful application of machine learning methods to geophysical problems involving data assimilation is inherently constrained by the extent to which obtainable data represent the problem considered. We show how the adjoint method, coupled with optimization based on methods of machine learning, can facilitate the minimization of an objective function defined on a space of significantly reduced dimension. By considering uncertain parameters as constituting a stochastic process, the Karhunen-Loeve expansion and its nonlinear extensions furnish an optimal basis with respect to which optimization using L-BFGS can be carried out. In particular, we demonstrate that kernel PCA can be coupled with adjoint-based optimal control methods to successfully determine the distribution of material parameter values for problems in the context of channelized deformable media governed by the equations of linear elasticity. Since certain subsets of the original data are characterized by different features, the convergence rate of the method in part depends on, and may be limited by, the observations used to furnish the kernel principal component basis. By determining appropriate weights for realizations of the stochastic random field, then, one may accelerate the convergence of the method. To this end, we present a formulation of Weighted PCA combined with a gradient-based means using automatic differentiation to iteratively re-weight observations concurrent with the determination of an optimal reduced set control variables in the feature space. We demonstrate how improvements in the accuracy and computational efficiency of the weighted linear method can be achieved over existing unweighted kernel methods, and discuss nonlinear extensions of the algorithm.

General heat kernel coefficients for massless free spin-3/2 Rarita-Schwinger field

NASA Astrophysics Data System (ADS)

Karan, Sudip; Kumar, Shashank; Panda, Binata

2018-04-01

We review the general heat kernel method for the Dirac spinor field as an elementary example in any arbitrary background. We, then compute the first three Seeley-DeWitt coefficients for the massless free spin-3/2 Rarita-Schwinger field without imposing any limitations on the background geometry.

Hollow microspheres with a tungsten carbide kernel for PEMFC application.

PubMed

d'Arbigny, Julien Bernard; Taillades, Gilles; Marrony, Mathieu; Jones, Deborah J; Rozière, Jacques

2011-07-28

Tungsten carbide microspheres comprising an outer shell and a compact kernel prepared by a simple hydrothermal method exhibit very high surface area promoting a high dispersion of platinum nanoparticles, and an exceptionally high electrochemically active surface area (EAS) stability compared to the usual Pt/C electrocatalysts used for PEMFC application.