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At least 127 records · Page 7

Modeling land use and land cover change: using a hindcast to estimate economic parameters in gcamland v2.0

Abstract. Future changes in land use and cover have important implications for agriculture, energy, water use, and climate. Estimates of future land use and land cover differ significantly across economic models as a result of differences in drivers, model structure, and model parameters; however, these models often rely on heuristics to determine model parameters. In this study, we demonstrate a more systematic and empirically based approach to estimating a few key parameters for an economic model of land use and land cover change, gcamland. Specifically, we generate a large set of model parameter perturbations for the selected parameters and run gcamland simulations with these parameter sets over the historical period in the United States to quantify land use and land cover, determine how well the model reproduces observations, and identify parameter combinations that best replicate observations, assuming other model parameters are fixed. We also test alternate methods for forming expectations about uncertain crop yields and prices, including adaptive, perfect, linear, and hybrid approaches. In particular, we estimate parameters for six parameters used in the formation of expectations and three of seven logit exponents for the USA only. We find that an adaptive expectation approach minimizes the error between simulated outputs and observations, with parameters that suggest that for most crops, landowners put a significant weight on previous information. Interestingly, for corn, where ethanol policies have led to a rapid growth in demand, the resulting parameters show that a larger weight is placed on more recent information. We examine the change in model parameters as the metric of model error changes, finding that the measure of model fitness affects the choice of parameter sets. Finally, we discuss how the methodology and results used in this study could be used for other regions or economic models to improve projections of future land use and land cover change.

54 ENVIRONMENTAL SCIENCES↗

A critical assessment of stellar mass measurement methods

This is the second paper in a series aimed at investigating the main sources of uncertainty in measuring the observable parameters in galaxies from their spectral energy distributions (SEDs). In the first paper we presented a detailed account of the photometric redshift measurements and an error analysis of this process. In this paper we perform a comprehensive study of the main sources of random and systematic error in stellar mass estimates for galaxies, and their relative contributions to the associated error budget. Since there is no prior knowledge of the stellar mass of galaxies (unlike their photometric redshifts), we use mock galaxy catalogs with simulated multi-waveband photometry and known redshift, stellar mass, age and extinction for individual galaxies. The multi-waveband photometry for the simulated galaxies were generated in 13 filters spanning from U-band to mid-infrared wavelengths. Given different parameters affecting stellar mass measurement (photometric signal-to-noise ratios (S/N), SED fitting errors and systematic effects), the inherent degeneracies and correlated errors, we formulated different simulated galaxy catalogs to quantify these effects individually. For comparison, we also generated catalogs based on observed photometric data of real galaxies in the Great Observatories Origins Deep Survey-South field, spanning the same passbands. The simulated and observed catalogs were provided to a number of teams within the Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey collaboration to estimate the stellar masses for individual galaxies. A total of 11 teams participated, with different combinations of stellar mass measurement codes/methods, population synthesis models, star formation histories, extinction and age. For each simulated galaxy, the differences between the input stellar masses, M{sub input}, and those estimated by each team, M{sub est}, is defined as Δlog(M)≡log(M{sub estimated})−log(M{sub input}), and used to identify the most fundamental parameters affecting stellar mass estimate in galaxies, with the following results. (1) No significant bias in Δ log(M) was found among different codes, with all having comparable scatter (σ(Δlog(M))=0.136 dex). The estimated stellar mass values are seriously affected by low photometric S/N, with the rms scatter increasing for galaxies with H{sub AB}>26 mag; (2) A source of error contributing to the scatter in Δ log(M) is found to be due to photometric uncertainties (0.136 dex) and low resolution in age and extinction grids when generating the SED templates; (3) The median of stellar masses among different methods provides a stable measure of the mass associated with any given galaxy (σ(Δlog(M))=0.142 dex); (4) The Δ log(M) values are strongly correlated with deviations in age (defined as the difference between the estimated and expected values), with a weaker correlation with extinction; (5) The rms scatter in the estimated stellar masses due to free parameters (after fixing redshifts and initial mass function) are quantified and found to be σ(Δlog(M))=0.110 dex; (6) Using the observed data, we studied the sensitivity of stellar masses to both the population synthesis codes and inclusion of nebular emission lines and found them to affect the stellar mass by 0.2 and 0.3 dex respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

Advancing earth system model calibration: a diffusion-based method

Understanding of climate impact on ecosystems globally requires site-specific model calibration. Here we introduce a novel diffusion-based uncertainty quantification (DBUQ) method for efficient model calibration. DBUQ is a score-based diffusion model that leverages Monte Carlo simulation to estimate the score function and evaluates a simple neural network to quickly generate samples for approximating parameter posterior distributions. DBUQ is stable, efficient, and can effectively calibrate the model given diverse observations, thereby enabling rapid and site-specific model calibration on a global scale. This capability significantly advances Earth system modeling and our understanding of climate impacts on Earth systems. We demonstrate DBUQ's capability in E3SM land model calibration at the Missouri Ozark AmeriFlux forest site. Both synthetic and real-data applications indicate that DBUQ produces accurate parameter posterior distributions similar to those generated by Markov Chain Monte Carlo sampling but with 30X less computing time. This efficiency marks a significant stride in model calibration, paving the way for more effective and timely climate impact analyses.

Liu, Yanfang↗

Simulation-Based Inference for Neutrino Interaction Model Tuning

This project demonstrates, for the first time, the application of simulation-based inference (SBI) techniques to tune neutrino–nucleus interaction models. Using a mock dataset based on the MicroBooNE tuning of the GENIE event generator, our approach employs a Neural Posterior Estimator (NPE) with Masked Autoregressive Flows (MAF) to infer the posterior distributions of key GENIE parameters directly from simulated histograms. The workflow provides a scalable and amortized framework for performing likelihood-free inference in high-dimensional parameter spaces, offering a pathway to more efficient and uncertainty-aware model tuning for next-generation neutrino experiments such as DUNE and SBND.

Tame-Narvaez, KarlaMaria [Fermi National Accelerat↗

Estimation of beryllium ground state energy by Monte Carlo simulation

Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Impact of Increased Latent Generations on Sensitivity Calculations with SCALE

Analyses of cross section sensitivity data from systems with fissile material allow analysts to associate an importance for each material, nuclide, reaction, and neutron energy by simulating real world criticality scenarios. Although criticality safety validation efforts can be guided by the cross-section sensitivity and uncertainty data generated for a particular system, these calculations can often be computationally expensive and sometimes cumbersome without proper guidance. The TSUNAMI suite within the SCALE code package has several methods for generating sensitivity data, including multigroup and continuous energy (CE) capabilities. The release of SCALE 6.3 has three different CE methods for generating cross section sensitivity data: (1) the Iterated Fission Probability (IFP) method with the KENO Monte Carlo transport solver, (2) the IFP method with the Shift Monte Carlo transport solver, and (3) the Contributon-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) method with the KENO Monte Carlo transport solver. Although the CLUTCH method has additional parameters for generating sensitivity data files relative to the IFP method, all three methods use latent generations, which are the generations between an event (i.e., fission) and the assessment of importance based on the asymptotic population of progeny neutrons. Increasing the number of latent generations in a calculation leads to increased discrimination of the sensitivity coefficients but at the cost of the increased uncertainty associated with those generated values. Analysts must balance the accuracy of the sensitivity calculations and its uncertainty with the associated computational cost involved in generating the values. This paper discusses the impact of adjusting the latent generation parameter for a range of sensitivity values and how these changes compare with the direct perturbation values obtained from a change of ±0.5% Δ k in both benchmark and safety application models. Two benchmarks from the International Handbook of Evaluated Criticality Safety Benchmark Experiments and the MPC-32 dual purpose canister for spent nuclear fuel are used for analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Parameter estimation on gravitational waves from neutron-star binaries with spinning components

Inspiraling binary neutron stars (BNSs) are expected to be one of the most significant sources of gravitational-wave signals for the new generation of advanced ground-based detectors. We investigate how well we could hope to measure properties of these binaries using the Advanced LIGO detectors, which began operation in September 2015. We study an astrophysically motivated population of sources (binary components with masses 1.2 M{sub ⊙}--1.6 M{sub ⊙} and spins of less than 0.05) using the full LIGO analysis pipeline. While this simulated population covers the observed range of potential BNS sources, we do not exclude the possibility of sources with parameters outside these ranges; given the existing uncertainty in distributions of mass and spin, it is critical that analyses account for the full range of possible mass and spin configurations. We find that conservative prior assumptions on neutron-star mass and spin lead to average fractional uncertainties in component masses of ∼16%, with little constraint on spins (the median 90% upper limit on the spin of the more massive component is ∼0.7). Stronger prior constraints on neutron-star spins can further constrain mass estimates but only marginally. However, we find that the sky position and luminosity distance for these sources are not influenced by the inclusion of spin; therefore, if LIGO detects a low-spin population of BNS sources, less computationally expensive results calculated neglecting spin will be sufficient for guiding electromagnetic follow-up.

79 ASTRONOMY AND ASTROPHYSICS↗

Mobile Sensing for Wind Field Estimation in Wind Farms: Preprint

This paper introduces a novel approach for estimating the wind field over an entire wind farm using a mobile sensor to collect limited amounts of data. The proposed method estimates the boundary conditions of a simplified turbine wake model by computing the model sensitivity matrix and using a recursive least-squares algorithm to recover the model parameters from the wind field measurements. To address the fact that it is not practical to take measurements across the entire wind farm, the proposed method classifies each area on the map based on its sensitivity to parameter variations. This classification is then used to generate a suitable path for a mobile sensor, which is charged with collecting data for the recursive least-squares algorithm. The proposed framework can successfully estimate the model boundary conditions using just the measurements collected along the path of the mobile sensor. This preliminary result paves the way for using real-time wind field estimates for the coordinated control of all the turbines within a wind farm.

estimation↗

Monte Carlo simulation based study of a proposed multileaf collimator for a telecobalt machine

Purpose: The objective of the present work was to propose a design of a secondary multileaf collimator (MLC) for a telecobalt machine and optimize its design features through Monte Carlo simulation. Methods: The proposed MLC design consists of 72 leaves (36 leaf pairs) with additional jaws perpendicular to leaf motion having the capability of shaping a maximum square field size of 35 Multiplication-Sign 35 cm{sup 2}. The projected widths at isocenter of each of the central 34 leaf pairs and 2 peripheral leaf pairs are 10 and 5 mm, respectively. The ends of the leaves and the x-jaws were optimized to obtain acceptable values of dosimetric and leakage parameters. Monte Carlo N-Particle code was used for generating beam profiles and depth dose curves and estimating the leakage radiation through the MLC. A water phantom of dimension 50 Multiplication-Sign 50 Multiplication-Sign 40 cm{sup 3} with an array of voxels (4 Multiplication-Sign 0.3 Multiplication-Sign 0.6 cm{sup 3}= 0.72 cm{sup 3}) was used for the study of dosimetric and leakage characteristics of the MLC. Output files generated for beam profiles were exported to the PTW radiation field analyzer software through locally developed software for analysis of beam profiles in order to evaluate radiation field width, beam flatness, symmetry, and beam penumbra. Results: The optimized version of the MLC can define radiation fields of up to 35 Multiplication-Sign 35 cm{sup 2} within the prescribed tolerance values of 2 mm. The flatness and symmetry were found to be well within the acceptable tolerance value of 3%. The penumbra for a 10 Multiplication-Sign 10 cm{sup 2} field size is 10.7 mm which is less than the generally acceptable value of 12 mm for a telecobalt machine. The maximum and average radiation leakage through the MLC were found to be 0.74% and 0.41% which are well below the International Electrotechnical Commission recommended tolerance values of 2% and 0.75%, respectively. The maximum leakage through the leaf ends in closed condition was observed to be 8.6% which is less than the values reported for other MLCs designed for medical linear accelerators. Conclusions: It is concluded that dosimetric parameters and the leakage radiation of the optimized secondary MLC design are well below their recommended tolerance values. The optimized design of the proposed MLC can be integrated into a telecobalt machine by replacing the existing adjustable secondary collimator for conformal radiotherapy treatment of cancer patients.

60 APPLIED LIFE SCIENCES↗

Analysis of DOE's Roof Savings Calculator with Comparison to other Simulation Engines

A web-based Roof Savings Calculator (RSC) has been deployed for the Department of Energy as an industry-consensus tool to help building owners, manufacturers, distributors, contractors and researchers easily run complex roof and attic simulations. This tool employs the latest web technologies and usability design to provide an easy input interface to an annual simulation of hour-by-hour, whole-building performance using the world-class simulation tools DOE-2.1E and AtticSim. Building defaults were assigned based on national averages and can provide estimated annual energy and cost savings after the user selects nothing more than building location. In addition to cool reflective roofs, the RSC tool can simulate multiple roof and attic configurations including different roof slopes, above sheathing ventilation, radiant barriers, low-emittance surfaces, HVAC duct location, duct leakage rates, multiple layers of building materials, ceiling and deck insulation levels, and other parameters. A base case and energy-efficient alternative can be compared side-by-side to generate an energy/cost savings estimate between two buildings. The RSC tool was benchmarked against field data for demonstration homes in Ft. Irwin, CA. However, RSC gives different energy savings estimates than previous cool roof simulation tools so more thorough software and empirical validation proved necessary. This report consolidates much of the preliminary analysis for comparison of RSC s projected energy savings to that from other simulation engines.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Observable proton decay in flipped SU(5)

We explore proton decay in a class of realistic supersymmetric flipped SU(5) models supplemented by a U(1) R symmetry which plays an essential role in implementing hybrid inflation. Two distinct neutrino mass models, based on inverse seesaw and type I seesaw, are identified, with the latter arising from the breaking of U(1) R by nonrenormalizable superpotential terms. Depending on the neutrino mass model an appropriate set of intermediate scale color triplets from the Higgs superfields play a key role in proton decay channels that include p → (e + , μ + ) π 0 , p → (e + , μ + ) K 0 , p → $\bar v$π + , and p → $\bar v$K + . We identify regions of the parameter space that yield proton lifetime estimates which are testable at Hyper-Kamiokande and other next generation experiments. We discuss how gauge coupling unification in the presence of intermediate scale particles is realized, and a Z 4 symmetry is utilized to show how such intermediate scales can arise in flipped SU(5). Finally, we compare our predictions for proton decay with previous work based on SU(5) and flipped SU(5).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Pynta-An Automated Workflow for Calculation of Surface and Gas-Surface Kinetics

Many important industrial processes rely on heterogeneous catalytic systems. However, given all possible catalysts and conditions of interest, it is impractical to optimize most systems experimentally. Automatically generated microkinetic models can be used to efficiently consider many catalysts and conditions. However, these microkinetic models require accurate estimation of many thermochemical and kinetic parameters. Manually calculating these parameters is tedious and error prone, involving many interconnected computations. Here, we present Pynta, a workflow software for automating the calculation of surface and gas–surface reactions. Pynta takes the reactants, products, and atom maps for the reactions of interest, generates sets of initial guesses for all species and saddle points, runs all optimizations, frequency, and IRC calculations, and computes the associated thermochemistry and rate coefficients. It is able to consider all unique adsorption configurations for both adsorbates and saddle points, allowing it to handle high index surfaces and bidentate species. Pynta implements a new saddle point guess generation method called harmonically forced saddle point searching (HFSP). HFSP defines harmonic potentials based on the optimized adsorbate geometries and which bonds are breaking and forming that allow initial placements to be optimized using the GFN1-xTB semiempirical method to create reliable saddle point guesses. This method is reaction class agnostic and fast, allowing Pynta to consider all possible adsorbate site placements efficiently. We demonstrate Pynta on 11 diverse reactions involving monodenate, bidentate, and gas-phase species, many distinct reaction classes, and both a low and a high index facet of Cu. Our results suggest that it is very important to consider reactions between adsorbates adsorbed in all unique configurations for interadsorbate group transfers and reactions on high index surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Roles of Dynamic State Estimation in Power System Modeling, Monitoring and Operation

—Power system dynamic state estimation (DSE) remains an active research area. This is driven by the absence of accurate models, the increasing availability of fast-sampled, time synchronized measurements, and the advances in the capability, scalability, and affordability of computing and communications. This paper discusses the advantages of DSE as compared to static state estimation, and the implementation differences between the two, including the measurement configuration, modeling framework and support software features. The important roles of DSE are discussed from modeling, monitoring and operation aspects for today’s synchronous machine dominated systems and the future power electronics-interfaced generation systems. Several examples are presented to demonstrate the benefits of DSE on enhancing the operational robustness and resilience of 21st century power system through time critical applications. Future research directions are identified and discussed, paving the way for developing the next generation of energy management systems.

Zhao, Junbo↗

Stochastic Approximation for Multi-period Simulation Optimization with Streaming Input Data

We consider a continuous-valued simulation optimization (SO) problem, where a simulator is built to optimize an expected performance measure of a real-world system while parameters of the simulator are estimated from streaming data collected periodically from the system. At each period, a new batch of data is combined with the cumulative data and the parameters are re-estimated with higher precision. The system requires the decision variable to be selected in all periods. Therefore, it is sensible for the decision-maker to update the decision variable at each period by solving a more precise SO problem with the updated parameter estimate to reduce the performance loss with respect to the target system. We define this decision-making process as the multi-period SO problem and introduce a multi-period stochastic approximation (SA) framework that generates a sequence of solutions. Two algorithms are proposed: Re-start SA (ReSA) reinitializes the stepsize sequence in each period, whereas Warm-start SA (WaSA) carefully tunes the stepsizes, taking both fewer and shorter gradient-descent steps in later periods as parameter estimates become increasingly more precise. We show that under suitable strong convexity and regularity conditions, ReSA and WaSA achieve the best possible convergence rate in expected sub-optimality either when an unbiased or a simultaneous perturbation gradient estimator is employed, while WaSA accrues significantly lower computational cost as the number of periods increases. In addition, we present the regularized ReSA, which obviates the need to know the strong convexity constant and achieves the same convergence rate at the expense of additional computation.

Computer Science↗

A Novel Statistical Method for Measuring the Temperature–Density Relation in the IGM Using the b – N Hi Distribution of Absorbers in the Ly α Forest

We propose a new method for determining the thermal state of the intergalactic medium based on Voigt profile decomposition of the Lyα forest. The distribution of Doppler parameter and column density (b–N H i distribution) is sensitive to the temperature–density relation T = T 0 (ρ/ρ 0 ) γ-1 , and previous work has inferred T 0 and γ by fitting its low-b cutoff. This approach discards the majority of available data and is susceptible to systematics related to cutoff determination. We introduce an approach that exploits all information encoded in the b – N H i distribution by modeling its entire shape. We apply kernel density estimation to discrete absorption lines to generate model probability density functions, and then we use principal component decomposition to create an emulator that can be evaluated anywhere in thermal parameter space. We introduce a Bayesian likelihood based on these models enabling parameter inference via Markov Chain Monte Carlo. The method's robustness is tested by applying it to a large grid of thermal history simulations. By conducting 160 mock measurements, we establish that our approach delivers unbiased estimates and valid uncertainties for a 2D ( T 0 , γ) measurement. Furthermore, we conduct a pilot study applying this methodology to real observational data at z = 2. Using 200 absorbers, equivalent in path length to a single Lya forest spectrum, we measure $\mathrm{log}{T}_{0}={4.092}_{-0.055}^{+0.050}$ and $\gamma ={1.49}_{-0.074}^{+0.073}$ in excellent agreement with cutoff fitting determinations using the same data. Our method is far more sensitive than cutoff fitting, enabling measurements of log T 0 and γ with precision on $\mathrm{log}{T}_{0}$ (γ) nearly two (three) times higher for current data set sizes.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantitative modeling of ICRF antennas with integrated time domain RF sheath and plasma physics

Significant efforts have been made to quantitatively benchmark the sheath sub-grid model used in our time-domain simulations of plasma-immersed antenna near fields, which includes highly detailed three-dimensional geometry, the presence of the slow wave, and the non-linear evolution of the sheath potential. We present both our quantitative benchmarking strategy, and results for the ITER antenna configuration, including detailed maps of electric field, and sheath potential along the entire antenna structure. Our method is based upon a time-domain linear plasma model, using the finite-difference electromagnetic Vorpal/Vsim software. This model has been augmented with a non-linear rf-sheath sub-grid model, which provides a self-consistent boundary condition for plasma current where it exists in proximity to metallic surfaces. Very early, this algorithm was designed and demonstrated to work on very complicated three-dimensional geometry, derived from CAD or other complex description of actual hardware, including ITER antennas. Initial work with the simulation model has also provided a confirmation of the existence of propagating slow waves in the low density edge region, which can significantly impact the strength of the rf-sheath potential, which is thought to contribute to impurity generation. Our sheath algorithm is based upon per-point lumped-circuit parameters for which we have estimates and general understanding, but which allow for some tuning and fitting. We are now engaged in a careful benchmarking of the algorithm against known analytic models and existing computational techniques to insure that the predictions of rf-sheath voltage are quantitatively consistent and believable, especially where slow waves share in the field with the fast wave. Currently in progress, an addition to the plasma force response accounting for the sheath potential, should enable the modeling of sheath plasma waves, a predicted additional root to the dispersion, existing at the plasma-metal interface. Our model is presently restricted to plasma in the vicinity of metallic (highly conducting) surfaces, however we report on a new effort to include thin and thick dielectric (poorly conducting) surfaces, which are of interest to both fusion devices and to industrial plasmas, where dielectric, or dielectric-coated vessels and geometry are heavily used.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Schottky Anomalies in the Low-Temperature Specific Heat of YBa{sub 2}Cu{sub 3}O{sub y} HTSC

The evolution of the Schottky anomalies in the temperature dependence of the specific heat (in the temperature range T = 2–10 K and the magnetic field range H = 0–9 T) of polycrystalline YBa{sub 2}Cu{sub 3}O{sub y} HTSCs is studied when the oxygen content in coarse-crystalline samples changes and when the degree of structural disordering in optimally doped fine-crystalline samples of the same compound changes. The number of paramagnetic centers with uncompensated spin moments, which generate the Schottky anomalies, and the splitting of the lower energy levels are estimated. A correlation between these parameters and both the number of oxygen vacancies in chain planes and the method of oxygen ordering in chains is found. The experimental data are compared with the results of studying the magnetic susceptibility at T > T{sub c} in the same samples. Based on this comparison, we can conclude that the nature of the Schottky centers is related to the formation of paramagnetic centers at breaks in the Cu1–O4 copper–oxygen chains in the basal planes of the crystal structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗