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At least 991 records · Page 55

Computing the partition function, ensemble averages, and density of states for lattice spin systems by sampling the mean

An algorithm to approximately calculate the partition function (and subsequently ensemble averages) and density of states of lattice spin systems through non-Monte-Carlo random sampling is developed. This algorithm (called the sampling-the-mean algorithm) can be applied to models where the up or down spins at lattice nodes interact to change the spin states of other lattice nodes, especially non-Ising-like models with long-range interactions such as the biological model considered here. Because it is based on the Central Limit Theorem of probability, the sampling-the-mean algorithm also gives estimates of the error in the partition function, ensemble averages, and density of states. Easily implemented parallelization strategies and error minimizing sampling strategies are discussed. The sampling-the-mean method works especially well for relatively small systems, systems with a density of energy states that contains sharp spikes or oscillations, or systems with little a priori knowledge of the density of states.

97 MATHEMATICS AND COMPUTING↗

Building unbiased estimators from non-gaussian likelihoods with application to shear estimation

We develop a general framework for generating estimators of a given quantity which are unbiased to a given order in the difference between the true value of the underlying quantity and the fiducial position in theory space around which we expand the likelihood. We apply this formalism to rederive the optimal quadratic estimator and show how the replacement of the second derivative matrix with the Fisher matrix is a generic way of creating an unbiased estimator (assuming choice of the fiducial model is independent of data). Next we apply the approach to estimation of shear lensing, closely following the work of Bernstein and Armstrong (2014). Our first order estimator reduces to their estimator in the limit of zero shear, but it also naturally allows for the case of non-constant shear and the easy calculation of correlation functions or power spectra using standard methods. Both our first-order estimator and Bernstein and Armstrong’s estimator exhibit a bias which is quadratic in true shear. Our third-order estimator is, at least in the realm of the toy problem of Bernstein and Armstrong, unbiased to 0.1% in relative shear errors Δg/g for shears up to |g| = 0.2.

79 ASTRONOMY AND ASTROPHYSICS↗

The Variable Saturation Hydraulic Conductivity Method for Improving Soil Water Content Simulation in EPIC and APEX Models

Core Ideas We propose VSHC for calculating soil water percolation in continuous models. VSHC relates permeability to daily hydraulic properties to estimate hydraulic conductivity. VSHC performed well at field scale and improved estimates of peak streamflows. Soil water percolation is a key process in the life cycle of water in fields, watersheds, and river basins. The Environmental Policy Integrated Climate (EPIC) and the Agricultural Policy/Environmental eXtender (APEX) are continuous models developed for evaluating the environmental effects of agricultural management. Traditionally, these models have simulated soil water percolation processes using a tipping‐bucket approach, with the rate of flow limited by the saturated hydraulic conductivity. This simple approach often leads to inaccuracy in simulating elevated soil water conditions where soil water content (SWC) levels may remain above field capacity under prolonged wet weather periods or limited drainage. To overcome this deficiency, a new submodel, the variable saturation hydraulic conductivity (VSHC) method, was developed for simulating soil water percolation processes using a nonlinear equation to estimate the effective hydraulic conductivity as a function of the SWC and soil properties. The VSHC method was evaluated at three sites in the United States and two sites in Europe. In addition, a numerical solution of the Richards equation was used as a benchmark for SWC comparison. Results show that the VSHC method substantially improves the accuracy of the SWC simulation in long‐term simulations, particularly during wet periods. At the watershed scale, results on the Riesel Y2 watershed indicate that the VSHC method enhances model performance in the high‐flow regime of channel peak flows because of the improved estimation of SWC, which implies that the improved SWC simulation at the field scale is beneficial to hydrologic modeling at the watershed scale.

Doro, Luca↗

Advanced Laboratory and Field Arrays: Debris Modeling, Detection,& Mitigation (Task 1)

The statement of project objectives for this task was: develop tools, methods and models to assess, and mitigate the risk of damage to MHK infrastructure from woody debris. Develop the capability to detect woody debris using sonar and/or physical methods for purposes of characterizing debris statistics in river (at UAF’s Tanana River Test Site) and near-shore wave (at Yakutat, AK) environments and to activate debris mitigation measures. Develop debris impact risk maps and tables using statistics on debris size, geometry, type, prevalence, mobility and location. Improve and apply the COUPi discrete element method (DEM) to develop models of debris movement and impact on MHK infrastructure to evaluate risk of damage, and interference, to operations from debris. The proposed final deliverable for the task was a set of tools or techniques for providing estimates of the probability of debris impact, and resulting impact forces, on MHK infrastructure as a function of debris size, type, wave regime, and current velocity. Such estimates are required to assess damage risks to operational MHK infrastructure.

13 HYDRO ENERGY↗

LOW-METALLICITY YOUNG CLUSTERS IN THE OUTER GALAXY. II. SH 2-208

We obtained deep near-infrared images of Sh 2-208, one of the lowest-metallicity H ii regions in the Galaxy, [O/H] = −0.8 dex. We detected a young cluster in the center of the H ii region with a limiting magnitude of K = 18.0 mag (10 σ ), which corresponds to a mass detection limit of ∼0.2 M {sub ⊙}. This enables the comparison of star-forming properties under low metallicity with those of the solar neighborhood. We identified 89 cluster members. From the fitting of the K -band luminosity function (KLF), the age and distance of the cluster are estimated to be ∼0.5 Myr and ∼4 kpc, respectively. The estimated young age is consistent with the detection of strong CO emission in the cluster region and the estimated large extinction of cluster members ( A{sub V} ∼ 4–25 mag). The observed KLF suggests that the underlying initial mass function (IMF) of the low-metallicity cluster is not significantly different from canonical IMFs in the solar neighborhood in terms of both high-mass slope and IMF peak (characteristic mass). Despite the very young age, the disk fraction of the cluster is estimated at only 27% ± 6%, which is significantly lower than those in the solar metallicity. Those results are similar to Sh 2-207, which is another star-forming region close to Sh 2-208 with a separation of 12 pc, suggesting that their star-forming activities in low-metallicity environments are essentially identical to those in the solar neighborhood, except for the disk dispersal timescale. From large-scale mid-infrared images, we suggest that sequential star formation is taking place in Sh 2-207, Sh 2-208, and the surrounding region, triggered by an expanding bubble with a ∼30 pc radius.

79 ASTRONOMY AND ASTROPHYSICS↗

Microstructure, optical property, and electronic band structure of cuprous oxide thin films

Cuprous oxide (Cu{sub 2}O) thin films were grown via radio frequency sputtering deposition at various temperatures. The dielectric functions and luminescence properties of the Cu{sub 2}O thin films were measured using spectroscopic ellipsometry and photoluminescence, respectively. High-energy peaks were observed in the photoluminescence spectra. Several critical points (CPs) were found using second derivative spectra of the dielectric functions and the standard critical point model. The electronic band structure and the dielectric functions were calculated using density functional theory, and the CP energies were estimated to compare with the experimental data. We identified the high-energy photoluminescence peaks to quasi-direct transitions which arose from the granular structures of the Cu{sub 2}O thin films.

36 MATERIALS SCIENCE↗

A Class of Sparse Johnson–Lindenstrauss Transforms and Analysis of their Extreme Singular Values

The Johnson–Lindenstrauss (JL) lemma is a powerful tool for dimensionality reduction in modern algorithm design. The lemma states that any set of high-dimensional points in a Euclidean space can be projected into lower dimensions while approximately preserving pairwise Euclidean distances. Random matrices satisfying this lemma are called JL transforms (JLTs). Inspired by existing $s$-hashing JLTs with exactly $s$ nonzero elements on each column, the present work introduces an ensemble of sparse matrices encompassing so-called $s$-hashing-like matrices whose expected number of nonzero elements on each column is $s$. The independence of the sub-Gaussian entries of these matrices and the knowledge of their exact distribution play an important role in their analyses. Using properties of independent sub-Gaussian random variables, these matrices are demonstrated to be JLTs, and their smallest nontrivial singular values and largest singular values are estimated nonasymptotically using a technique from geometric functional analysis. As the dimensions of the matrix grow to infinity, these singular values are proved to converge almost surely to fixed quantities (by using the universal Bai–Yin law) and in distribution to the Gaussian orthogonal ensemble Tracy–Widom law after proper rescalings. Understanding the behaviors of extreme singular values is important in general because they are often used to define a measure of stability of matrix algorithms. For example, JLTs were recently used in derivative-free optimization algorithmic frameworks to select random subspaces in which are constructed random models or poll directions to achieve scalability, and hence estimating their smallest singular value in particular helps determine the dimension of these subspaces.

97 MATHEMATICS AND COMPUTING↗

Optimal Bandwidth for Multitaper Spectrum Estimation

A systematic method for bandwidth parameter selection is desired for Thomson multitaper spectrum estimation. We give a method for determining the optimal bandwidth based on a mean squared error (MSE) criterion. When the true spectrum has a second-order Taylor series expansion, one can express quadratic local bias as a function of the curvature of the spectrum, which can be estimated by using a simple spline approximation. This is combined with a variance estimate, obtained by jackknifing over individual spectrum estimates, to produce an estimated MSE for the log spectrum estimate for each choice of time-bandwidth product. The bandwidth that minimizes the estimated MSE then gives the desired spectrum estimate. Additionally, the bandwidth obtained using our method is also optimal for cepstrum estimates. We give an example of a damped oscillatory (Lorentzian) process in which the approximate optimal bandwidth can be written as a function of the damping parameter. Furthermore, the true optimal bandwidth agrees well with that given by minimizing estimated the MSE in these examples.

97 MATHEMATICS AND COMPUTING↗

SU-E-J-164: Estimation of DVH Variation for PTV Due to Interfraction Organ Motion in Prostate VMAT Using Gaussian Error Function

Purpose: We developed a method to predict the change of DVH for PTV due to interfraction organ motion in prostate VMAT without repeating the CT scan and treatment planning. The method is based on a pre-calculated patient database with DVH curves of PTV modelled by the Gaussian error function (GEF). Methods: For a group of 30 patients with different prostate sizes, their VMAT plans were recalculated by shifting their PTVs 1 cm with 10 increments in the anterior-posterior, left-right and superior-inferior directions. The DVH curve of PTV in each replan was then fitted by the GEF to determine parameters describing the shape of curve. Information of parameters, varying with the DVH change due to prostate motion for different prostate sizes, was analyzed and stored in a database of a program written by MATLAB. Results: To predict a new DVH for PTV due to prostate interfraction motion, prostate size and shift distance with direction were input to the program. Parameters modelling the DVH for PTV were determined based on the pre-calculated patient dataset. From the new parameters, DVH curves of PTVs with and without considering the prostate motion were plotted for comparison. The program was verified with different prostate cases involving interfraction prostate shifts and replans. Conclusion: Variation of DVH for PTV in prostate VMAT can be predicted using a pre-calculated patient database with DVH curve fitting. The computing time is fast because CT rescan and replan are not required. This quick DVH estimation can help radiation staff to determine if the changed PTV coverage due to prostate shift is tolerable in the treatment. However, it should be noted that the program can only consider prostate interfraction motions along three axes, and is restricted to prostate VMAT plan using the same plan script in the treatment planning system.

60 APPLIED LIFE SCIENCES↗

A new, analytic, non-perturbative, gauge-invariant formulation of realistic QCD

This Formulation [1], [2], [3] is New, in the sense that it is less than 3 years old. But it could have been done decades ago, since the input information existed, but was overlooked. It is Analytic in the sense that physically-reasonable approximations can be estimated with paper and pencil; and exact amplitudes can be calculated as Meijer G-functions of various orders. It is Non-Perturbative in the sense that sums over all possible gluon exchanges between any pair of quarks and/or antiquarks, including cubic and quartic gluon interactions, are exactly performed. These multiple gluon exchanges combine into 'Gluon Bundles' (GBs), as sums over Feynman graphs with finite numbers of exchanged gluons are replaced by {sup B}undle Graphs{sup .} In effect, gluons disappear from the formalism, and GBs remain as the effective carrier of all interactions between quark lines. A simple re-arrangement of the Schwinger/Symanzik functional solution for the Generating Functional of QCD - a rearrangement possible in QCD but not in QED - produces a formal statement of Gauge-Invariance, even though the formulation contains gauge-dependent gluon propagators. After the non-perturbative sums produce GBs, one sees explicit cancelation of all gauge-dependent gluon propagators; gauge-invariance is achieved as gauge-independence. A new insight into Realistic QCD appears in the non-perturbative domain, because quarks do not have individual asymptotic states; they are always asymptotically bound, and their transverse coordinates cannot, in principle, be measured exactly. 'Transverse Imprecision' is introduced into the basic Lagrangian, and quark-binding potentials for the construction of mesons and nucleons can then be defined and evaluated. And the greatest surprise of all: A new, non-perturbative property appears, called Effective Locality, with the result that all functional integrals reduce to (a few) sets of ordinary integrals, easy to estimate approximately, or calculate on a desk-top computer. A fantastic simplification{exclamation_point} With the aid of the above techniques, this presentation will describe each of the above paragraphs, with explicit descriptions of gauge-invariance, of the summation of all relevant Feynman graphs, of quark-binding into hadrons, and of nucleon-nucleon binding to form a deuteron. To our knowledge, the latter calculation is the first analytic example of Nuclear Physics obtained directly from basic QCD.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

SymbolFit: Automatic Parametric Modeling with Symbolic Regression

We introduce SymbolFit (API: https://github.com/hftsoi/symbolfit), a framework that automates parametric modeling by using symbolic regression to perform a machine-search for functions that fit the data while simultaneously providing uncertainty estimates in a single run. Traditionally, constructing a parametric model to accurately describe binned data has been a manual and iterative process, requiring an adequate functional form to be determined before the fit can be performed. The main challenge arises when the appropriate functional forms cannot be derived from first principles, especially when there is no underlying true closed-form function for the distribution. In this work, we develop a framework that automates and streamlines the process by utilizing symbolic regression, a machine learning technique that explores a vast space of candidate functions without requiring a predefined functional form because the functional form itself is treated as a trainable parameter, making the process far more efficient and effortless than traditional regression methods. We demonstrate the framework in high-energy physics experiments at the CERN Large Hadron Collider (LHC) using five real proton-proton collision datasets from new physics searches, including background modeling in resonance searches for high-mass dijet, trijet, paired-dijet, diphoton, and dimuon events. We show that our framework can flexibly and efficiently generate a wide range of candidate functions that fit a nontrivial distribution well using a simple fit configuration that varies only by random seed, and that the same fit configuration, which defines a vast function space, can also be applied to distributions of different shapes, whereas achieving a comparable result with traditional methods would have required extensive manual effort.

Tsoi, Ho Fung [Univ. of Pennsylvania, Philadelphia↗

Molecular radiotherapy: The NUKFIT software for calculating the time-integrated activity coefficient

Purpose: Calculation of the time-integrated activity coefficient (residence time) is a crucial step in dosimetry for molecular radiotherapy. However, available software is deficient in that it is either not tailored for the use in molecular radiotherapy and/or does not include all required estimation methods. The aim of this work was therefore the development and programming of an algorithm which allows for an objective and reproducible determination of the time-integrated activity coefficient and its standard error.Methods: The algorithm includes the selection of a set of fitting functions from predefined sums of exponentials and the choice of an error model for the used data. To estimate the values of the adjustable parameters an objective function, depending on the data, the parameters of the error model, the fitting function and (if required and available) Bayesian information, is minimized. To increase reproducibility and user-friendliness the starting values are automatically determined using a combination of curve stripping and random search. Visual inspection, the coefficient of determination, the standard error of the fitted parameters, and the correlation matrix are provided to evaluate the quality of the fit. The functions which are most supported by the data are determined using the corrected Akaike information criterion. The time-integrated activity coefficient is estimated by analytically integrating the fitted functions. Its standard error is determined assuming Gaussian error propagation. The software was implemented using MATLAB.Results: To validate the proper implementation of the objective function and the fit functions, the results of NUKFIT and SAAM numerical, a commercially available software tool, were compared. The automatic search for starting values was successfully tested for reproducibility. The quality criteria applied in conjunction with the Akaike information criterion allowed the selection of suitable functions. Function fit parameters and their standard error estimated by using SAAM numerical and NUKFIT showed differences of <1%. The differences for the time-integrated activity coefficients were also <1% (standard error between 0.4% and 3%). In general, the application of the software is user-friendly and the results are mathematically correct and reproducible. An application of NUKFIT is presented for three different clinical examples.Conclusions: The software tool with its underlying methodology can be employed to objectively and reproducibly estimate the time integrated activity coefficient and its standard error for most time activity data in molecular radiotherapy.

61 RADIATION PROTECTION AND DOSIMETRY↗

Fermi and Swift Observations of GRB 190114C: Tracing the Evolution of High-energy Emission from Prompt to Afterglow

We report on the observations of gamma-ray burst (GRB) 190114C by the Fermi Gamma-ray Space Telescope and the Neil Gehrels Swift Observatory . The prompt gamma-ray emission was detected by the Fermi GRB Monitor (GBM), the Fermi Large Area Telescope (LAT), and the Swift Burst Alert Telescope (BAT) and the long-lived afterglow emission was subsequently observed by the GBM, LAT, Swift X-ray Telescope (XRT), and Swift UV Optical Telescope. The early-time observations reveal multiple emission components that evolve independently, with a delayed power-law component that exhibits significant spectral attenuation above 40 MeV in the first few seconds of the burst. This power-law component transitions to a harder spectrum that is consistent with the afterglow emission observed by the XRT at later times. This afterglow component is clearly identifiable in the GBM and BAT light curves as a slowly fading emission component on which the rest of the prompt emission is superimposed. As a result, we are able to observe the transition from internal-shock- to external-shock-dominated emission. We find that the temporal and spectral evolution of the broadband afterglow emission can be well modeled as synchrotron emission from a forward shock propagating into a wind-like circumstellar environment. We estimate the initial bulk Lorentz factor using the observed high-energy spectral cutoff. Considering the onset of the afterglow component, we constrain the deceleration radius at which this forward shock begins to radiate in order to estimate the maximum synchrotron energy as a function of time. We find that even in the LAT energy range, there exist high-energy photons that are in tension with the theoretical maximum energy that can be achieved through synchrotron emission from a shock. These violations of the maximum synchrotron energy are further compounded by the detection of very high-energy (VHE) emission above 300 GeV by MAGIC concurrent with our observations. We conclude that the observations of VHE photons from GRB 190114C necessitates either an additional emission mechanism at very high energies that is hidden in the synchrotron component in the LAT energy range, an acceleration mechanism that imparts energy to the particles at a rate that is faster than the electron synchrotron energy-loss rate, or revisions of the fundamental assumptions used in estimating the maximum photon energy attainable through the synchrotron process.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantum dynamical study of femtosecond photodesorption of CO from TiO{sub 2}(110)

The photodesorption of CO from TiO{sub 2}(110) by femtosecond pulses is investigated with the Surrogate Hamiltonian approach. The aim of the study is to resolve the relaxation mechanism and forecast the lifetime of the exited state based on a microscopic description of the excitation and relaxation processes. The parameters characterizing the system are obtained from ab initio and Density Functional Theory-calculations with one parameter estimated from physical considerations and convergence studies. Two electronic states are considered and the relaxation is assumed to be due to the interaction of the excited adsorbate with electron hole pairs in the surface. Desorption probabilities and velocity distributions of the desorbing molecules are calculated and an exited state lifetime is predicted. Throughout this paper atomic units, i.e., ℏ = m{sub e} = e = a{sub 0} = 1, have been used unless otherwise stated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Constitutive Model of Radiation Aging Effects in Filled Silicone Elastomers under Strain

Filled silicone elastomers, an essential component in many technological applications, are often subjected to controlled or unintended radiation for a variety of reasons. Radiation exposure can lead to permanent mechanical and structural changes in the material, which is manifested as altered mechanical response, and in some cases, a permanent set. For unfilled elastomers, network theories developed and refined over decades can explain these effects in terms of chain-scission and cross-link formation and a hypothesis involving independent networks formed at different strain levels of the material. In this work, we expose a filled silicone rubber to gamma radiation while being under finite elongational strain and show that the observed mechanical and structural changes can be quantitatively modeled within the same theoretical framework developed for unfilled elastomers as long as nuances associated with the Mullins effect are accounted for in a consistent manner. In this work, we employ Ogden’s incompressible hyperelastic model within the framework of Tobolsky’s two-network scheme to describe the observed permanent set and mechanical modulus changes as a function of radiation dosage. In the process, we conclude that gamma radiation induces both direct cross-linking at chain crossings (H-links) and main-chain-scission followed by cross-linking (Y-links). We provide an estimate of the ratio of chain-scission to cross-linking rates, which is in reasonable agreement with previous experimental estimate from Charlesby–Pinner analysis. We use density functional theory (DFT)-based quantum mechanical calculations to explore the stability of –Si and –SiO radicals that form upon a radiation-induced chain-scission event, which sheds light on the relative rates of Y-linking and H-linking processes.

36 MATERIALS SCIENCE↗

Searching for parity violation in SDSS DR16 Lyman-α forest data

The four-point correlation function is the lowest order correlation function for scalar fields that can be used to probe statistical parity invariance in an isotropic universe. There are intriguing claims of detection of parity violation in the 4-point function of BOSS galaxy clustering data. We apply the same estimator to the public SDSS Data Release 16 Lyman-α forest data. Lyman-α forest data probes a different redshift range and is sensitive to a different density regime using a completely different technique. A detection would therefore be a strong indication of new physics. We identify an accurate covariance matrix as a crucial impediment to performing this measurement accurately, consistent with existing literature on galaxy 4-point function. Here, we discuss several approaches to estimating the covariance matrix, several of which produce spurious detection. Using a robust, but very suboptimal, covariance matrix derived from subsample bootstrapping, we find no evidence for parity violation.

79 ASTRONOMY AND ASTROPHYSICS↗

Tracing the cosmic velocity field at z∼ 0.1 from galaxy luminosities in the SDSS DR7

Spatial modulations in the distribution of observed luminosities (computed using redshifts) of ∼ 5× 10{sup 5} galaxies from the SDSS Data Release 7, probe the cosmic peculiar velocity field out to z∼ 0.1. Allowing for luminosity evolution, the r-band luminosity function, determined via a spline-based estimator, is well represented by a Schechter form with M{sup *}(z)-5 log{sub 10} h = -20.52 -1.6(z-0.1)± 0.05 and α{sup *} = -1.1± 0.03. Bulk flows and higher velocity moments in two redshift bins, 0.02 < z < 0.07 and 0.07 < z < 0.22, agree with the predictions of the ΛCDM model, as obtained from mock galaxy catalogs designed to match the observations. Assuming a ΛCDM model, we estimate σ{sub 8} ≈ 1.1± 0.4 for the amplitude of the linear matter power spectrum, where the low accuracy is due to the limited number of galaxies. While the low z bin is robust against coherent photometric uncertainties, the bias of results from the second bin is consistent with the ∼1% magnitude tilt reported by the SDSS collaboration. The systematics are expected to have a significantly lower impact in future datasets with larger sky coverage and better photometric calibration.

79 ASTRONOMY AND ASTROPHYSICS↗

Testing isotropy in the local Universe

We test the isotropy of the local distribution of galaxies using the 2MASS extended source catalogue. By decomposing the full sky survey into distinct patches and using a combination of photometric and spectroscopic redshift data, we use both parametric and non-parametric methods to obtain the shape of the luminosity function in each patch. We use the shape of the luminosity function to test the statistical isotropy of the underlying galaxy distribution. The parametric estimator shows some evidence of a hemispherical asymmetry in the north/south Galactic plane. However the non-parametric estimator exhibits no significant anisotropy, with the galaxy distribution being consistent with the assumption of isotropy in all regions considered. The parametric asymmetry is attributed to the relatively poor fit of the functional form to the underlying data. When using the non-parametric estimator, we do find a dipole in the shape of the luminosity function, with maximal deviation from isotropy at galactic coordinate (b,l)=(30{sup o},315{sup o}). However we can ascribe no strong statistical significance to this observation.

79 ASTRONOMY AND ASTROPHYSICS↗