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At least 1,441 records · Page 80

Use of Inverse Reinforcement Learning for Identity Prediction

We adopt Markov Decision Processes (MDP) to model sequential decision problems, which have the characteristic that the current decision made by a human decision maker has an uncertain impact on future opportunity. We hypothesize that the individuality of decision makers can be modeled as differences in the reward function under a common MDP model. A machine learning technique, Inverse Reinforcement Learning (IRL), was used to learn an individual's reward function based on limited observation of his or her decision choices. This work serves as an initial investigation for using IRL to analyze decision making, conducted through a human experiment in a cyber shopping environment. Specifically, the ability to determine the demographic identity of users is conducted through prediction analysis and supervised learning. The results show that IRL can be used to correctly identify participants, at a rate of 68% for gender and 66% for one of three college major categories.

Hayes, Roy↗

Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials

Abstract The earlier integration of validated Lennard–Jones (LJ) potentials for 8 fcc metals into materials and biomolecular force fields has advanced multiple research fields, for example, metal–electrolyte interfaces, recognition of biomolecules, colloidal assembly of metal nanostructures, alloys, and catalysis. Here we introduce 12-6 and 9-6 LJ parameters for classical all-atom simulations of 10 further fcc metals (Ac, Ca (α), Ce (γ), Es (β), Fe (γ), Ir, Rh, Sr (α), Th (α), Yb (β)) and stainless steel. The parameters reproduce lattice constants, surface energies, water interfacial energies, and interactions with (bio)organic molecules in 0.1 to 5% agreement with experiment, as well as qualitative mechanical properties under standard conditions. Deviations are reduced up to a factor of one hundred in comparison to earlier Lennard–Jones parameters, embedded atom models, and density functional theory. We also explain a quantitative correlation between atomization energies from experiments and surface energies that supports parameter development. The models are computationally very efficient and applicable to an exponential space of alloys. Compatibility with a wide range of force fields such as the Interface force field (IFF), AMBER, CHARMM, COMPASS, CVFF, DREIDING, OPLS-AA, and PCFF enables reliable simulations of nanostructures up to millions of atoms and microsecond time scales. User-friendly model building and input generation are available in the CHARMM-GUI Nanomaterial Modeler. As a limitation, deviations in mechanical properties vary and are comparable to DFT methods. We discuss the incorporation of reactivity and features of the electronic structure to expand the range of applications and further increase the accuracy.

Kanhaiya, Krishan (ORCID:0000000236222655)↗

An extended moments model of quantum efficiency for metals and semiconductors

The complexity of photocathode designs and detector materials, and the need to model their performance for short pulse durations, response to high frequency photons, presence of coatings and/or thinness of the absorptive layer, necessitates modifications to three-step and moments models of photoemission that are used in simulation codes. Here, methods to include input from computationally intensive approaches, such as density functional theory to model optical properties and transfer matrix approaches to treat emission from the surface or transport past coatings, by means of parametric models are demonstrated. First, a technique to accurately represent optical behavior so as to model reflectivity and penetration depth is given. Second, modifications to bulk models arising from the usage of thin film architectures, and a means to rapidly calculate them, is provided. Third, a parameterization to model the impact of wells associated with coatings and surface layers on the transmission probably is given. In all cases, the methods are computationally efficient and designed to allow for including input from numerically intensive approaches that would otherwise be unavailable for simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Stochastic Trust-Region Algorithm in Random Subspaces with Convergence and Expected Complexity Analyses

Here, this work proposes a framework for large-scale stochastic derivative-free optimization (DFO) by introducing STARS, a trust-region method based on iterative minimization in random subspaces. This framework is both an algorithmic and theoretical extension of a random subspace derivative-free optimization (RSDFO) framework, and an algorithm for stochastic optimization with random models (STORM). Moreover, like RSDFO, STARS achieves scalability by minimizing interpolation models that approximate the objective in low-dimensional affine subspaces, thus significantly reducing per-iteration costs in terms of function evaluations and yielding strong performance on largescale stochastic DFO problems. The user-determined dimension of these subspaces, when the latter are defined, for example, by the columns of so-called Johnson-Lindenstrauss transforms, turns out to be independent of the dimension of the problem. For convergence purposes, inspired by the analyses of RSDFO and STORM, both a particular quality of the subspace and the accuracies of random function estimates and models are required to hold with sufficiently high, but fixed, probabilities. Using martingale theory under the latter assumptions, an almost sure global convergence of STARS to a first-order stationary point is shown, and the expected number of iterations required to reach a desired first-order accuracy is proved to be similar to that of STORM and other stochastic DFO algorithms, up to constants.

97 MATHEMATICS AND COMPUTING↗

Extended Lyapunov stability criterion using a nonlinear algebraic relation with application to adaptive control

A new nonlinear stability criterion is developed by use of a class of Lyapunov functionals for model-reference adaptive systems (MRAS). Results are compared with traditional results, and a comparative design technique is used to illustrate its function in improving the transient response of an MRAS controller. For a particular system structure and class of input signals, the new stability criterion is shown to include traditional sufficiency stability conditions as a special case. An example is cited to illustrate the use of the nonlinear criterion and its definite advantages in helping improve the adaptive error transient response of a system. Analysis of results is effected by use of a linearization technique on the resulting adaptive equations.

Colburn, B. K.↗

Study of Analytic Statistical Model for Decay of Light and Medium Mass Nuclei in Nuclear Fragmentation

The angular momentum independent statistical decay model is often applied using a Monte-Carlo simulation to describe the decay of prefragment nuclei in heavy ion reactions. This paper presents an analytical approach to the decay problem of nuclei with mass number less than 60, which is important for galactic cosmic ray (GCR) studies. This decay problem of nuclei with mass number less than 60 incorporates well-known levels of the lightest nuclei (A less than 11) to improve convergence and accuracy. A sensitivity study of the model level density function is used to determine the impact on mass and charge distributions in nuclear fragmentation. This angular momentum independent statistical decay model also describes the momentum and energy distribution of emitted particles (n, p, d, t, h, and a) from a prefragment nucleus.

Cucinotta, Francis A.↗

Application of the Convolution Formalism to the Ocean Tide Potential: Results from the Gravity and Recovery and Climate Experiment (GRACE)

A computationally efficient approach to reducing omission errors in ocean tide potential models is derived and evaluated using data from the Gravity Recovery and Climate Experiment (GRACE) mission. Ocean tide height models are usually explicitly available at a few frequencies, and a smooth unit response is assumed to infer the response across the tidal spectrum. The convolution formalism of Munk and Cartwright (1966) models this response function with a Fourier series. This allows the total ocean tide height, and therefore the total ocean tide potential, to be modeled as a weighted sum of past, present, and future values of the tide-generating potential. Previous applications of the convolution formalism have usually been limited to tide height models, but we extend it to ocean tide potential models. We use luni-solar ephemerides to derive the required tide-generating potential so that the complete spectrum of the ocean tide potential is efficiently represented. In contrast, the traditionally adopted harmonic model of the ocean tide potential requires the explicit sum of the contributions from individual tidal frequencies. It is therefore subject to omission errors from neglected frequencies and is computationally more intensive. Intersatellite range rate data from the GRACE mission are used to compare convolution and harmonic models of the ocean tide potential. The monthly range rate residual variance is smaller by 4-5%, and the daily residual variance is smaller by as much as 15% when using the convolution model than when using a harmonic model that is defined by twice the number of parameters.

models↗

Integrating Large Scale Data Sets to Develop Predictive Hypotheses of Low-Dose Radiation-Induced Health Effects

Over one hundred years of radiation biology research has revealed much about the DNA damages induced by the deposition of energy from exposure to ionizing radiation and the subsequent cellular responses. However, there are still significant gaps in our understanding of how these might lead to detrimental health effects, particularly at low doses (100 mGy (milligray)). Recent advances in high throughput omics technologies enable interrogation of induced radiation effects at the genomic, proteomic and metabolomic levels. These include changes in gene expression, protein modifications, e.g., phosphorylation, acetylation, and methylation, and metabolic changes. We will discuss the integration of data obtained from multiple omics platforms to understand radiation dose, and dose rate effects in a complex human tissue model as a function of time. We will use as an example our results on the low dose responses in a 3D human skin model.

ionizing radiation↗

Excitation spectra of quantum matter without quasiparticles. II. Random t - J models

Here, we present numerical solutions of the spectral functions of large dimension t -J models with random nearest neighbor exchange and global SU(M) spin rotation symmetry. The solutions are obtained from the saddle-point equations of the large dimension limit, followed by the large M limit. The same saddle point equations also apply to the model with all-to-all and random hopping and exchange. Such a t -J model realizes a deconfined critical state proposed as a model for the optimally doped cuprates. The large M theory involves Green’s functions for fractionalized spinons and holons carrying emergent U(1) gauge charges, obeying relations similar to those of the Sachdev-Ye-Kitaev (SYK) models. The low frequency spectral functions are compared with an analytic analysis of the operator scaling dimensions with good agreement. We also compute the low frequency and temperature behavior of experimentally observable gauge-invariant observables: the electron Green’s function, the local spin susceptibility and the optical conductivity, along with the temperature dependence of the d.c. resistivity. The time reparameterization soft mode (equivalent to the boundary graviton in holographically dual models of two-dimensional quantum gravity) makes important contributions to all observables and provides a linear-in-temperature contribution to the d.c. resistivity.

36 MATERIALS SCIENCE↗

Simple algorithms for remote determination of mineral abundances and particle sizes from reflectance spectra

Algorithms were developed, based on Hapke's (1981) equations, for remote determinations of mineral abundances and particle sizes from reflectance spectra. In this method, spectra are modeled as a function of end-member abundances and illumination/viewing geometry. The method was tested on a laboratory data set. It is emphasized that, although there exist more sophisticated models, the present algorithms are particularly suited for remotely sensed data, where little opportunity exists to independently measure reflectance versus article size and phase function.

Johnson, Paul E.↗

Toward first principles-based simulations of dense hydrogen

Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g., planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement fusion. There exists experimental data for the equation of state, conductivity, and Thomson scattering spectra. However, the analysis of the measurements at extreme pressures and temperatures typically involves additional model assumptions, which makes it difficult to assess the accuracy of the experimental data rigorously. On the other hand, theory and modeling have produced extensive collections of data. They originate from a very large variety of models and simulations including path integral Monte Carlo (PIMC) simulations, density functional theory (DFT), chemical models, machine-learned models, and combinations thereof. At the same time, each of these methods has fundamental limitations (fermion sign problem in PIMC, approximate exchange–correlation functionals of DFT, inconsistent interaction energy contributions in chemical models, etc.), so for some parameter ranges accurate predictions are difficult. Recently, a number of breakthroughs in first principles PIMC as well as in DFT simulations were achieved which are discussed in this review. Here we use these results to benchmark different simulation methods. We present an update of the hydrogen phase diagram at high pressures, the expected phase transitions, and thermodynamic properties including the equation of state and momentum distribution. Furthermore, we discuss available dynamic results for warm dense hydrogen, including the conductivity, dynamic structure factor, plasmon dispersion, imaginary-time structure, and density response functions. We conclude by outlining strategies to combine different simulations to achieve accurate theoretical predictions that are based on first principles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Comparative Study of Some Dynamic Stall Models

Three semi-empirical aerodynamic stall models are compared with respect to their lift and moment hysteresis loop prediction, limit cycle behavior, easy implementation, and feasibility in developing the parameters required for stall flutter prediction of advanced turbines. For the comparison of aeroelastic response prediction including stall, a typical section model and a plate structural model are considered. The response analysis includes both plunging and pitching motions of the blades. In model A, a correction to the angle of attack is applied when the angle of attack exceeds the static stall angle. In model B, a synthesis procedure is used for angles of attack above static stall angles and the time history effects are accounted through the Wagner function. In both models the life and moment coefficients for angle of attack below stall are obtained from tabular data for a given Mach number and angle of attack. In model C, referred to an the ONERA model, the life and moment coefficients are given in the form of two differential equations, one for angles below stall, and the other for angles above stall. The parameters of those equations are nonlinear functions of the angle of attack.

Reddy, T. S. R.↗

A pulsation phase-dependent dust shell model of OH 26.5 + 0.6

The spectral energy distribution of the radio-luminous OH/IR star 26.5 + 0.6 was modeled as a function of pulsation phase, using standard radiative-transfer techniques but with more self-consistent input parameters based partly on pulsation model calculations. The changes in spectral shape and overall intensity are easily explained in terms of the radial movement of the dust condensation radius with the changing luminosity of the star. The derived amplitude of the bolometric light curve is only 1.2 mag, considerably less than expected.

Suh, Kyung-Won↗

Simulation of period doubling of recurrent solar wind structures

Based on satellite observations of a recurrent solar wind structure conducted in 1974, an MHD simulation model, and input functions generated from plasma and magnetic field data, the continuing evolution of the solar wind structure outside 5 AU is studied. The model uses the Rankine-Hugoniot relations to describe the jumps in flow properties across the shocks, and it treats shocks as surfaces of discontinuity with zero thickness. Two interaction processes (the collision and the merging of shocks) play important roles in restructuring the solar wind in the outer heliosphere. The simulation result shows that period doubling occurs between 5 and 10 AU. The recurrent solar wind appears to be a persistent new structure between 10 and 20 AU, and it consists of one merged interaction region per solar rotation.

Whang, Y. C.↗

Model Effects on GLAS-Based Regional Estimates of Forest Biomass and Carbon

Ice, Cloud, and land Elevation Satellite (ICESat) / Geosciences Laser Altimeter System (GLAS) waveform data are used to estimate biomass and carbon on a 1.27 X 10(exp 6) square km study area in the Province of Quebec, Canada, below the tree line. The same input datasets and sampling design are used in conjunction with four different predictive models to estimate total aboveground dry forest biomass and forest carbon. The four models include non-stratified and stratified versions of a multiple linear model where either biomass or (biomass)(exp 0.5) serves as the dependent variable. The use of different models in Quebec introduces differences in Provincial dry biomass estimates of up to 0.35 G, with a range of 4.94 +/- 0.28 Gt to 5.29 +/-0.36 Gt. The differences among model estimates are statistically non-significant, however, and the results demonstrate the degree to which carbon estimates vary strictly as a function of the model used to estimate regional biomass. Results also indicate that GLAS measurements become problematic with respect to height and biomass retrievals in the boreal forest when biomass values fall below 20 t/ha and when GLAS 75th percentile heights fall below 7 m.

Nelson, Ross F.↗

Update on the NASA GEOS-5 Aerosol Forecasting and Data Assimilation System

GEOS-5 is the Goddard Earth Observing System model. GEOS-5 is maintained by the NASA Global Modeling and Assimilation Office. Core development is within GMAO,Goddard Atmospheric Chemistry and Dynamics Laboratory, and with external partners. Primary GEOS-5 functions: Earth system model for studying climate variability and change, provide research quality reanalyses for supporting NASA instrument teams and scientific community, provide near-real time forecasts of meteorology,aerosols, and other atmospheric constituents to support NASA airborne campaigns.

GEOS-5↗

Markovian Statistical Model of Cloud Optical Thickness. Part I: Theory and Examples

We present a generalization of the binary-value Markovian model previously used for statistical characterization of cloud masks to a continuous-value model describing 1D fields of cloud optical thickness (COT). This model has simple functional expressions and is specified by four parameters: the cloud fraction, the autocorrelation (scale) length, and the two parameters of the normalized probability density function of (non-zero) COT values (this PDF is assumed to have gamma-distribution form). Cloud masks derived from this model by separation between the values above and below some threshold in COT appear to have the same statistical properties as in binary-value model described in our previous publications. We demonstrate the ability of our model to generate examples of various cloud-field types by using it to statistically imitate actual cloud observations made by the Research Scanning Polarimeter (RSP) during two field experiments.

binary-value Markovian model↗