Miracle-dz/UniFAR-FTUs huggingface dataset:
A first-principles pseudopotential investigation of ferroelectricity in barium titanate

Abstract We have investigated the adiabatic energy surface of BaTiO3 using a first-principles molecular dynamics approach. High quality pseudopotentials were generated for barium, titanium and oxygen using a recently developed ultra-soft pseudopotential scheme. The wave-functions were expanded in a plane-wave basis set, and adequate convergence was achieved with a 25 Ry cutoff. We show that the method gives a good description of the ferroelectric properties of BaTiO3 and agrees well with recent first-principles calculations performed using the full-potential linear-augmented-plane-wave method.
Comments on multilinear PLS

Recently, Bro published a paper on multilinear PLS (J. Chemometrics, 10, 47–61 (1996)) in which he proposed a generalization of PLS to multiway situations, called multilinear PLS, which is a mixture of a trilinear model (PARAFAC) and PLS. However, Bro does not give the equations for the prediction step. In this paper these prediction equations are given in both their full and closed forms. The least squares properties of the proposed multilinear PLS are established and a more comprehensive notation is given. Using this notation, it is clear that some other multiway analysis methods such as PARAFAC and Tucker1 models can be combined with PLS. Multiway methods such as Tucker2 and Tucker3 need a different approach. A framework is given for general two‐block multiway models. © 1997 John Wiley & Sons, Ltd.
Principal component analysis of International Ultraviolet Explorer galaxy spectra

We analyse the UV spectral energy distribution of a sample of normal galaxies listed in the IUE INES Guide No. 2-Normal Galaxies (Formiggini & Brosch, 2000) using a Principal Component Analysis. The sample consists of the IUE-SW spectra of the central regions of 118 galaxies, where the IUE aperture included more than 1 per cent of the galaxy size. The principal components are associated with the main components observed in the UV spectra of galaxies. The first component, accounting for the largest source of diversity, can be associated with the UV continuum emission. The second component represents the UV contribution of an underlying evolved stellar population. The third component is sensitive to the amount of activity in the central regions of galaxies and measures the strength of star formation events. In all the samples analysed here the principal component representative of starforming activity accounts for a significant percentage of the variance. The fractional contribution to the SED by the evolved stars and by the young population are similar. Projecting the SEDs onto their eigenspectra, we find that none of the coefficients of the principal components can outline an internal correlation or can correlate with the optical morphological types. In a sub-sample of 43 galaxies, consisting of almost only compact and BCD galaxies, the third principal component defines a sequence related to the degree of starburst activity of the galaxy.
An Imbalance SVM for MicroRNA Target Genes Prediction

Imbalance miRNA target sample data bring about the lower prediction accuracy of SVM(Support Vector Machine). This paper proposes an SVM algorithm to predict the target genes based on biased discriminant idea. This paper selects an optimal feature sets as input data, and constructs a kernel optimization objective function based on the biased discriminant analysis criteria in the empirical feature space. The conformal transformation of a kernel is utilized to gradually optimize the kernel matrix. Through the comparative analysis of the experimental results of human, mouse and rat, the imbalance SVM with biased discriminant has higher specificity, sensitivity and prediction accuracy, which proves that it has stronger generalization ability and better robustness.
Preliminary Bone Imaging on 05B1-1 Beamline at the Canadian Light Source: Exploration of Diffraction Enhanced Imaging

The bending magnet line (05B1-1) of the BioMedical Imaging and Therapy (BMIT) facility of the Canadian Light Source saw initial research application (Figure 1) during commissioning which began in December 2008 and continued intermittently through May 2010. Following an initial run based upon letters of intent (June-Dec. 2010), the bending magnet line is now available for regular user access. The mandate to advance research related to human and animal health, combined with an active bone imaging community at the University of Saskatchewan, has resulted in a strong representation of skeletal imaging during initial experiments at BMIT. To date, specific manifestations of bone imaging have ranged from micro-CT imaging of human cortical bone samples to in vitro diffraction enhanced imaging (DEI) of rat and pig bones and, ultimately, to in vivo DEI of bones within young chickens. In this article we focus on the diffraction enhanced imaging capabilities of BMIT and describe our efforts to apply this technology to human trabecular bone microarchitecture – a potential clinical application in the future.
THE SCALE OF THE UNIVERSE: A CURTAIN-RAISER IN FOUR ACTS AND FOUR MORALS

This concise and highly selective introduction to the distance-scale debate, from antiquity to Hubble's paper of 1924 on the distance to M31, provides some key quotations and references. The first section describes the early Greek determinations of the distances of the sun and moon. The second part discusses the distances to the stars, from Copernicus to Huygens. Section 3 skips to the early twentieth-century ideas on the scale of the Milky Way, especially the work of Shapley. The final section describes how Hubble's discovery of distances to galaxies was first announced.
Vertical Exchange Measurements in the Lower Troposphere Using ThB (Pb-212) and Radon (Ru-222)

Abstract Various methods of determining vertical eddy diffusion coefficients in the planetary boundary layer from two natural radioactive tracers, radon (Rn-222) and ThB (Pb-212), are presented and discussed. In all cases, it is more pertinent to measure vertical exchanges in the lower atmosphere using ThB (10.6 hr half-life) than radon (3.8 days half-life). About 30 vertical profiles of Rn and ThB in the lower troposphere (100–3000 m) are determined over a 12-month period. Vertical eddy coefficient values are calculated according to the various methods discussed. The variation range, between 10−1 and several 100 m2 sec−1, is large and closely related to the vertical temperature gradient variation. Low values (10−2 to 10−1 m2 sec−1) of the exchange coefficients determined in the inversion layer which frequently exists at the top of the planetary boundary layer show that vertical turbulent fluxes toward the free atmosphere are relatively small.
The Influence of Rounding Errors on Some Nonparametric Estimators of a Density and its Derivatives

All “continuous” data is rounded to some extent, and this rounding introduces errors into the estimation of the parent density and its derivatives. In this paper we examine the influence of rounding errors on the two most popular types of nonparametric density estimator—those based on kernels and those based on generalized Fourier series. Our results lead directly to several important conclusions which are very relevant to the practical problems of density estimation.
Study of the hadronic photon structure function with the DELPHI detector at LEP

The photon structure function F γ 2 has been studied at Q 2 from 3 GeV/c to 2600 GeV/c. The data correspond to an integrated luminosity of 78 pb at LEP1 and 548 pb at LEP2, collected by the DELPHI detector during the 1994-1995 and 1996-2000 LEP runs respectively. Experimental distributions are compared with the predictions of various models. The procedure of F γ 2 extraction from the data and its uncertainty are discussed. The F γ 2 estimated from the fit of models to the data are compared with theoretical expectations based on different models. A result for the Q evolution of the photon structure function in different x intervals is presented. Contributed Paper for ICHEP 2002 (Amsterdam)
Virtual HUD using an HMD

As part of risk reduction activities for the development of next-generation fighter cockpits, Lockheed-Martin Aeronautics Company is using the USAF Variable-stability In- flight Simulation Test Aircraft F-16 and its programmable display system for the demonstration and evaluation of a Virtual Head-Up Display (HUD) concept. The Virtual HUD concept promises a significant improvement in next- generation fighter cockpits by eliminating the HUD yet projecting the Primary Flight Reference symbology, formerly displayed in the HUD, on the pilot's Helmet-Mounted Display. The Virtual HUD is presented in an aircraft-stabilized position where the HUD combining glass would normally be located in today's fighters. This change provides a cost and weight reduction, and clears invaluable instrument panel space for larger displays with less clutter and discontinuity in displayed information. The Virtual HUD flight trials also studied the use of voice recognition in flight. Voice was used to control all aspects of the test and in-cockpit sound measurements were taken to understand the impact of cockpit noise on recognition performance.
Double processes in e-- He collisions

Different electron-helium collision processes which can lead to a joint change of state of both target electrons are reviewed. They are examined with the help of a deliberately simplified plane wave Born series model. Certain terms which are second order in the interaction potentials are shown to correspond to contributions obtainable in first order models using distorted wave descriptions of the projetile and/or wavefunctions for twoelectron subsystems which take account of the Coulomb interaction between the electrons. The remaining terms are related to double-hit mechanisms where the projectile interacts first with one and then with the other target electron. Applications to double excitation (autoionization), ionization with excitation and double ionization
PERMUTATION TESTS FOR LEAST ABSOLUTE DEVIATION REGRESSION

A permutation test based on proportionate reduction in sums of absolute deviations when passing from reduced to full parameter models is developed for testing hypotheses about least absolute deviation (LAD) estimates of conditional medians in linear regression models. Sampling simulations demonstrated that the permutation test on full model LAD estimates had greater relative power (1.06-1.43) than normal theory tests on least squares estimates for asymmetric, chi-square error distributions and symmetric, double exponential error distributions for models with one (n = 35 and n = 63) and three (n 63) independent variables. Relative power was . 77 -. 84 for normal error distributions. Power simulations demonstrated the low sensitivity of LAD estimates and permutation tests to outlier contamination and heteroscedasticity that was a linear function of X, and increased sensitivity to heteroscedasticity that was a function of X2 for simple regression models. Three permutation procedures for testing partial models in multiple regression were compared: permuting residuals from the reduced model, permuting residuals from the full model, and permuting the dependent variable. Permuting residuals from the reduced model maintained nominal error rates best under the null hypothesis for all error distributions and for correlated and uncorrelated independent variables. Power under the alternative hypotheses for this partial testing procedure was similar to full LAD regression model tests. Four example applications of LAD regression are provided.
Suboptimal Exponential Approximations

Prony’s method of approximate exponential interpolation and Bellman’s method of differential approximation are compared as tools for constructing suboptimal exponential approximations. While Prony’s method is not generally stable, a stability property can be proved for differential approximation. Theorems on the localization of the frequencies of the suboptimal exponential approximations to certain classes of functions are derived. A series of analytical and numerical examples illuminates both the results and the open problems.
Systolic arrays for matrix over-relaxation methods

This paper presents the systolic designs for the Jacobi Overrelaxation (J.O.R.), Successive Overrelaxation (S.O.R.), Accelerated Overrelaxation (A.O.R.), stationary and non-stationary second order Richardson methods for the iterative solution of large linear systems. The linear systems are obtained from the discretisation of a two and three dimensional Laplace equation by the finite difference method and the coefficient matrices are sparse symmetric and positive definite. We investigate the hardware implementation of a linear systolic array to achieve a low cost and optimal area efficient VLSI solution.
On a Theorem of V. M. Zolotarev

Let $\xi = \eta = \zeta $, where $\eta $ and $\zeta $ are independent random variables, $\eta $ has the probability density (7) and ${\bf E}\exp ({\zeta / 2}) = K m - 1$) (16) are satisfied. An application to the random variable (1), a weighted sum of independent $\chi ^2 $ random variables, implies a result of V. M. Zolotarev [1].
Ground Zero: A bibliometric analysis of L2 vocabulary research 1986-1990

This paper uses a co-citation analysis to examine the research on vocabulary acquisition that was published in 1990. Two analyses are presented. The first is a detailed account of the 1990 research on its own terms. The second analysis places this work in a larger context by looking at research published in a five-year window covering 1986-1990.
Marginal logistic regression with a cure fraction in a cluster design: An application in dental traumatology

Logistic regression model is the first option to deal with binary outcomes in cross-sectional health studies. However, some conditions, such as the presence of a cure fraction, characterized when an unknown portion of the population is no longer at risk of developing the event of interest, can lead to the non-adequacy of the model. Therefore, the presence of a cure fraction requires an extension in the standard form of the logistic regression model or the use of an alternative one. The present work aims to identify risk factors for the presence of External Inflammatory Root Resorption (EIRR) using a real application. The data set consisted in replanted permanent teeth referred to treatment at the Dental Trauma Clinic of the School of Dentistry from the Federal University of Minas Gerais (DTC-SD-UFMG) after emergency care at the Metropolitan Hospital Odilon Beherns in Belo Horizonte, Brazil. A logistic regression type model is considered to study the association between clinical and radiographic factors and the presence/absence of EIRR, measured radiographically at the first patient appointment at DTC-SD-UFMG. Considering that EIRR is only expected in those cases where the root canal become infected following pulp necrosis, those teeth whose pulp healing is favorable are not at risk of developing EIRR. However, pulpal status usually can only be defined in the long term, such that information is not available at the time of data collection, characterizing the presence of a latent cure fraction. Moreover, in the present sample some patients contributed with more than one replanted tooth, forming clusters of correlated measurements. In the present work we followed the methodology proposed by Hall & Zhang (2004) in which they used an adaption of the EM (expectation-maximization) algorithm, called ES (Expectation-Solution) algorithm combined with GEE (Generalized Estimation Equations) to accommodate the cluster (individual) multivariate response in a logistic cure fraction model.
Excitons in spatially separated electron–hole systems: A quantum Monte Carlo study

Variational and diffusion quantum Monte Carlo simulations of excitons in the type‐II semiconductor quantum well system In1−xGaxAs/GaSb1−yAsy are performed for a wide range of composition (0,0)≤(x,y)≤(0.62,0.64) and well width 25 A ≤L≤200 A. The exciton binding energy is found to increase with the decrease of the layer thickness and with the increase of the composition. The calculated results suggest that a novel semiconductor–excitonic insulator (Bose condensate)–semimetal transition should be observable in this system.
The Prediction of Pediatric Outpatient No-Show Visits by Employing Machine Learning Framework

—Patient no-show for a booked medical appointment is a significant problem that negatively impacts healthcare resource utilization, cost, efficiency, quality, and patient outcomes. This paper developed a machine learning framework to predict pediatric patients' no-shows to medical appointments accurately. Thirty months of outpatient visits data were extracted from data warehouse from January 2017 to July 2019 of the Ministry of National Guard Health Affairs (MNGHA), Saudi Arabia. The researchers retrieved the data from all healthcare facilities in the central region, and more than 100 attributes were generated. The data includes over 100,000 pediatric patients and more than 3.7 million visits. Five machine learning algorithms were deployed, where Gradient Boosting (GB) algorithm outperformed the other four machine learning algorithms: decision tree, random forest, logistic regression, and neural network. The study evaluated and compared the performance of the five models based on five evaluations criteria. GB achieved a Receiver Operating Characteristic (ROC) score of 97.1%. Furthermore, this research paper identified the factors that have massive potential for effecting patients' adherence to scheduled appointments.
The opto-mechanical design of HARMONI: a first light integral field spectrograph for the E-ELT

HARMONI is a visible and near-IR integral field spectrograph, providing the E-ELT's spectroscopic capability at first light. It obtains simultaneous spectra of 32000 spaxels, at a range of resolving powers from R~4000 to R~20000, covering the wavelength range from 0.47 to 2.45 μm. The 256 × 128 spaxel field of view has four different plate scales, with the coarsest scale (40 mas) providing a 5″ × 10″ FoV, while the finest scale is a factor of 10 finer (4mas). We describe the opto-mechanical design of HARMONI, prior to the start of preliminary design, including the main subsystems - namely the image de-rotator, the scale-changing optics, the splitting and slicing optics, and the spectrographs. We also present the secondary guiding system, the pupil imaging optics, the field and pupil stops, the natural guide star wavefront sensor, and the calibration unit.
Observations of Comet P/Faye 1991 XXI with the Planetary Camera of the Hubble Space Telescope

Abstract Comet P/Faye 1991 XXI (1991 n) was observed with the planetary camera (PC) of the Hubble Space Telescope (HST) between October 29 and November 21, 1991, when its geocentric distance was in the range 0.62–0.67 AU. The resulting high resolution—a single PC pixel projected to a distance of ∼20 km at the comet—made it possible to clearly discriminate the nucleus and to study the dust coma within ∼100 km from the nucleus. The spherical aberration which affected the early operation of the HST has severely complicated the analysis and image restoration using the Richardson–Lucy method has failed to give satisfactory results. The coma is dominated by the point spread function (PSF) of the nucleus up to a radial distance of ∼100 km and cannot be recovered. Beyond, it is affected by the spherical aberration up to approximately 750 km and was analyzed by comparison with a grid of models convolved with appropriate PSFs. Beyond 750 km, it remains unaffected and can be studied directly. From the outer to the innermost regions, the coma presents an elongated shape which may be explained either by an active source on the nucleus or, more likely, by a projection effect of the dust tail. If this second interpretation is correct, then the temporal evolution of the comet is very slow and smooth, suggesting an extended source of dust on the nucleus. The dust production rate, corrected for the projection effect of the tail, amounts to 125 kg sec −1 .
Scale and Rotation Invariant Local Feature Usi n g Harris Laplace Detector in Color Textured Images

In this article, we propose a new detection function for interest points and a new characterization of such points. The detection function extends the Harris Laplace method. Our function extracts features invariant to rotation and scale from color images. For that we define a new measurement from the component of the Taylor expansion of luminance. Then we use the second moment as a basis of corner decision. Around each feature point we compute a texture descriptor using the Gabor filter. As an evaluation of this new class of interest points, we have implemented a recognition method of 3D objects by indexing a data base on object views; this method is similar to the Lowe method, except SIFT features and descriptors are replaced by the ones proposed in our approach. This recognition method exploits a KNN classifier to match interest points from their descriptors, and then a Hough transform to cluster reliable point matches, voting for a consistent similarity transform:. Results are presented on classical images of the COIL data base.
Evaluation of indocyanine-mediated photodynamic therapy cytotoxicity in human osteoblast-like cells: an in vitro study.

INTRODUCTION Antimicrobial photodynamic therapy (aPDT) is an adjunctive non-invasive procedure for the management of periodontal tissue infection and deep periodontal pocket decontamination. However, the effects of this procedure on periodontal cells like osteoblasts that play a role in periodontal tissue repair and regeneration is not yet clear.
Socio-Demographic Determinants of Fast-Food Consumption in Malaysian Young Adults

Fast-food is the fastest-growing food category in the world, offering young adults a quick, affordable, and readily available alternative to home-cooked meals. The objective of this study was to determine the socio-demographic determinants of the most frequent fast-food consumption among young adults in Malaysia. This cross-sectional study involved 405 Malaysian young adults aged 18 to 29 who participated in an online survey. This self-administered online questionnaire of habitual fast-food consumption was evaluated using a modified Fast-food Frequency Questionnaire comprised of 30 food items, while the socio-demographic profile was determined by age, gender, ethnicity, monthly household income, marital status, residence, and educational level. IBM SPSS Statistics version 25 (SPSS IBM, New York, USA) was used to analyse the data. The results indicated that the most frequently consumed fast-foods were fried chicken (77.6% of habitual consumption), ice cream (41.3%), and burgers (40%). A chi-square independence test revealed a statistically significant association between urban and rural residence and high fast-food consumption (i.e., fried chicken): X2(2, N = 405) = 22.924, p = 0.001. However, there is no association between consumption of fast-food and gender (X2(2, N = 405) = 0.044, p = 0.834), fast-food and age (p = 0.403), or fast-food and educational level (p > 0.05). Taken together, these findings have provided more information on the habitual consumption of fast-food by young adults. The Malaysian government and other health authorities may be able to develop an action plan to reduce obesity rates and other diseases associated with fast-food consumption among young adults.