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Results for “Bayesian estimation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Updated universal relations for tidal deformabilities of neutron stars from phenomenological equations of state

Equation of state (EOS) insensitive relations, so-called universal relations, between the neutron star (NS) compactness, its multipolar tidal deformability coefficients, and between the tidal parameters for binary systems are essential to break degeneracies in gravitational wave data analysis. Here, we validate and recalibrate these universal relations using a large set of almost 2 million phenomenological EOSs that are consistent with current observations. In doing so, we extend universal relations to a larger region of the EOS parameter space, most notably to softer EOSs and larger compactnesses. We show that waveform models that neglect higher-than-leading-order tidal deformations of the NSs accumulate as much as 3.5 radians of dephasing from 20Hz to merger. Further, we also perform a full Bayesian parameter estimation of the GW170817 data, and we compare the NS radius constraints produced using universal relations from the literature and the updated fits we propose here. We find that the new fits yield a NS radius that is smaller by about 500 meters. This difference is less than the statistical uncertainty on the radius at the signal-to-noise-ratio of GW170817, but it is significantly larger than the precision anticipated for next-generation detectors.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Detectability of QCD phase transitions in binary neutron star mergers: Bayesian inference with the next generation gravitational wave detectors

We study the detectability of postmerger QCD phase transitions in neutron star binaries with next-generation gravitational-wave detectors Cosmic Explorer and Einstein Telescope. We perform numerical relativity simulations of neutron star mergers with equations of state that include a quark deconfinement phase transition through either a Gibbs or Maxwell construction. These are followed by Bayesian parameter estimation of the associated gravitational-wave signals using the nrpmw waveform model, with priors inferred from the analysis of the inspiral signal. We assess the ability of the model to measure the postmerger peak frequency $f$$^{peak}_{2}$ and identify aspects that should be improved in the model. We show that, even at postmerger signal to noise ratios as low as 10, the model can distinguish (at the 90% level) $f$$^{peak}_{2}$ between binaries with and without a phase transition in most cases. Phase-transition induced deviations in the $f$$^{peak}_{2}$ from the predictions of equation-of-state insensitive relations can also be detected if they exceed 1.6⁢σ. Our results suggest that next-generation gravitational wave detectors can measure phase transition effects in binary neutron star mergers. Furthermore, unless the phase transition is “strong,” disentangling it from other hadronic physics uncertainties will require significant theory improvements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

HPC Network Simulation Tuning via Automatic Extraction of Hardware Parameters

Popular HPC network interconnection simulators such as SST/macro provide a variety of configurable parameters to explore the design space of hardware components such as network interface cards (NIC), switches, and links among them. While such knobs provide flexibility to explore design trade-offs for novel hardware, manually configuring simulations for matching configurations of the existing hardware to focus on topology exploration can be cumbersome and error-prone, leading to widely inaccurate simulations. This challenge is compounded when specifications of various (proprietary) technologies are not readily available or intentionally omitted. In this work, we propose a framework to autotune the multiple network models’ simulation configurations within SST/macro using Tree-structured Parzen Estimator-based Bayesian optimization to observe the effect on simulation accuracy across different message regimes. These regimes consist of small to large message sizes and latency to bandwidth-bound messages. We provide a detailed analysis of the simulation error for four representative HPC systems. Our Bayesian optimization based autotuning framework for network models achieves a maximum of 5x improvement in accuracy over best-effort manual configurations based on available hardware specifications.

Simulation, autotuning↗
DOE OSTI2021

Effects of a nuclear disturbed environment on a quantum free space optical link

This manuscript investigates the potential effect of a nuclear-disturbed atmospheric environment on the signal attenuation of a ground/satellite transmitter/receiver system for both classical optical and quantum communications applications. Attenuation of a signal transmitted through the rising nuclear cloud and the subsequently transported debris is modeled climatologically for surface-level detonations of 10 kt, 100 kt, and 1 Mt. Attenuation statistics were collected as a function of time after detonation. These loss terms were compared to normal loss sources such as clouds, smoke from fires, and clear sky operation. Finally, the loss was related to the degradation of transmitted entanglement derived from Bayesian mean estimation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

"Sintering" Models and In-Situ Experiments: Data Assimilation for Microstructure Prediction in SLS Additive Manufacturing of Nylon Components

Selective laser sintering methods are workhorses for additively manufacturing polymer-based components. The ease of rapid prototyping also means it is easy to produce illicit components. It is necessary to have a data-calibrated in-situ physical model of the build process in order to predict expected and defective microstructure characteristics that inform component provenance. Toward this end, sintering models are calibrated and characteristics such as component defects are explored. This is accomplished by assimilating multiple data streams, imaging analysis, and computational model predictions in an adaptive Bayesian parameter estimation algorithm. From these data sources, along with a phase-field model, bulk porosity distributions are inferred. Model parameters are constrained to physically-relevant search directions by sensitivity analysis, and then matched to predictions using adaptive sampling. Using this feedback loop, data-constrained estimates of sintering model parameters along with uncertainty bounds are obtained.

3D printing, Additive Manufacturing, polymer, sint↗
DOE OSTI2025

Improving the Parameterization of Cloud and Rain Microphysics in E3SM using Novel Observationally-Constrained Bayesian Approach (Final Technical Report)

In this project, we sought to develop new cloud and rain microphysics frameworks within the Energy Exascale Earth System Model (E3SM). This work encompassed two primary avenues of research: 1) Further development of a Bayesian-based scheme called BOSS (Bayesian Observationally-constrained Statistical-physical Scheme) to represent cloud and rain microphysics, testing it in realistic high-resolution cloud models, and implementing it in E3SM; 2) Development of a methodology utilizing machine learning to enable computationally tractable use of tractable use of Markov chain Monte Carlo sampling for Bayesian parameter estimation in Earth system and cloud models. In this project, we adapted the BOSS microphysics scheme, originally formulated for rain-only, to include all liquid-phase microphysical processes for cloud and rain, in particular the processes that mediate between these two categories, for example the conversion from cloud to rain through collision and coalescence of drops. We constrained the scheme via comparison and testing against a detailed model that explicitly represents the evolution of cloud and rain particles, called a bin microphysics scheme.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A Physical Model for Understanding the Activation of MoS 2 Basal-plane Sulfur Atoms for the Hydrogen Evolution Reaction

All the DFT calculations are done with the Vienna Ab Initio Simulation Package (VASP) using the projector augmented wave method. The Bayesian error estimation exchange-correlation functionals (BEEF) with van der Waals interactions are employed. A plane-wave cutoff energy of 400 eV is used together with PAW-PBE potentials where semi core p states are treated as valence. All the calculations allow for spin-polarization. The structures are relaxed until the force is converged to < 0.01 eV/Å. The lattice parameter of MoS 2 unit cell, optimized with this functional, is 3.19 Å. A (4×4) supercell is used to model all the transition metal doped MoS 2 systems studied here, including those with S vacancies. For calculations in the initial dopant structure exploration, the Brillouin zone is sampled with a 3x3x1 Monkhorst-Pack k-point mesh. A 6×6×1 Monkhorst-Pack k-point mesh is used for the H binding energy and density of states calculations. In all calculations, the vacuum layer is set as 15 Å to eliminate periodic interaction perpendicular to the basal plane.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

A Comparison of Three Ways to Measure Time-Dependent Densities With Quantum Simulators

Quantum algorithms are touted as a way around some classically intractable problems such as the simulation of quantum mechanics. At the end of all quantum algorithms is a quantum measurement whereby classical data is extracted and utilized. In fact, many of the modern hybrid-classical approaches are essentially quantum measurements of states with short quantum circuit descriptions. Here, we compare and examine three methods of extracting the time-dependent one-particle probability density from a quantum simulation: direct Z -measurement, Bayesian phase estimation, and harmonic inversion. We have tested these methods in the context of the potential inversion problem of time-dependent density functional theory. Our test results suggest that direct measurement is the preferable method. We also highlight areas where the other two methods may be useful and report on tests using Rigetti's quantum virtual device. This study provides a starting point for imminent applications of quantum computing.

Yang, Jun↗
DOE OSTI2024

Deriving cloud droplet number concentration from surface-based remote sensors with an emphasis on lidar measurements

Abstract. Given the importance of constraining cloud droplet number concentrations (Nd) in low-level clouds, we explore two methods for retrieving Nd from surface-based remote sensing that emphasize the information content in lidar measurements. Because Nd is the zeroth moment of the droplet size distribution (DSD), and all remote sensing approaches respond to DSD moments that are at least 2 orders of magnitude greater than the zeroth moment, deriving Nd from remote sensing measurements has significant uncertainty. At minimum, such algorithms require the extrapolation of information from two other measurements that respond to different moments of the DSD. Lidar, for instance, is sensitive to the second moment (cross-sectional area) of the DSD, while other measures from microwave sensors respond to higher-order moments. We develop methods using a simple lidar forward model that demonstrates that the depth to the maximum in lidar-attenuated backscatter (Rmax⁡) is strongly sensitive to Nd when some measure of the liquid water content vertical profile is given or assumed. Knowledge of Rmax⁡ to within 5 m can constrain Nd to within several tens of percent. However, operational lidar networks provide vertical resolutions of > 15 m, making a direct calculation of Nd from Rmax⁡ very uncertain. Therefore, we develop a Bayesian optimal estimation algorithm that brings additional information to the inversion such as lidar-derived extinction and radar reflectivity near the cloud top. This statistical approach provides reasonable characterizations of Nd and effective radius (re) to within approximately a factor of 2 and 30 %, respectively. By comparing surface-derived cloud properties with MODIS satellite and aircraft data collected during the MARCUS and CAPRICORN II campaigns, we demonstrate the utility of the methodology.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1978

Estimation from incomplete multinomial data

The vector of multinomial cell probabilities was estimated from incomplete data, incomplete in that it contains partially classified observations. Each such partially classified observation was observed to fall in one of two or more selected categories but was not classified further into a single category. The data were assumed to be incomplete at random. The estimation criterion was minimization of risk for quadratic loss. The estimators were the classical maximum likelihood estimate, the Bayesian posterior mode, and the posterior mean. An approximation was developed for the posterior mean. The Dirichlet, the conjugate prior for the multinomial distribution, was assumed for the prior distribution.

Credeur, K. R.↗
NASA NTRS2002

Hierarchies of Models: Toward Understanding Planetary Nebulae

Stars like our sun (initial masses between 0.8 to 8 solar masses) end their lives as swollen red giants surrounded by cool extended atmospheres. The nuclear reactions in their cores create carbon, nitrogen and oxygen, which are transported by convection to the outer envelope of the stellar atmosphere. As the star finally collapses to become a white dwarf, this envelope is expelled from the star to form a planetary nebula (PN) rich in organic molecules. The physics, dynamics, and chemistry of these nebulae are poorly understood and have implications not only for our understanding of the stellar life cycle but also for organic astrochemistry and the creation of prebiotic molecules in interstellar space. We are working toward generating three-dimensional models of planetary nebulae (PNe), which include the size, orientation, shape, expansion rate and mass distribution of the nebula. Such a reconstruction of a PN is a challenging problem for several reasons. First, the data consist of images obtained over time from the Hubble Space Telescope (HST) and spectra obtained from Kitt Peak National Observatory (KPNO) and Cerro Tololo Inter-American Observatory (CTIO). These images are of course taken from a single viewpoint in space, which amounts to a very challenging tomographic reconstruction. Second, the fact that we have two disparate and orthogonal data types requires that we utilize a method that allows these data to be used together to obtain a solution. To address these first two challenges we employ Bayesian model estimation using a parameterized physical model that incorporates much prior information about the known physics of the PN. In our previous works we have found that the forward problem of the comprehensive model is extremely time consuming. To address this challenge, we explore the use of a set of hierarchical models, which allow us to estimate increasingly more detailed sets of model parameters. These hierarchical models of increasing complexity are akin to scientific theories of increasing sophistication, with each new model/theory being a refinement of a previous one by either incorporating additional prior information or by introducing a new set of parameters to model an entirely new phenomenon. We apply these models to both a simulated and a real ellipsoidal PN to initially estimate the position, angular size, and orientation of the nebula as a two-dimensional object and use these estimates to later examine its three-dimensional properties. The efficiency/accuracy tradeoffs of the techniques are studied to determine the advantages and disadvantages of employing a set of hierarchical models over a single comprehensive model.

Knuth, Kevin H.↗
NASA NTRS2003

Hierarchies of Models: Toward Understanding Planetary Nebulae

Stars like our sun (initial masses between 0.8 to 8 solar masses) end their lives as swollen red giants surrounded by cool extended atmospheres. The nuclear reactions in their cores create carbon, nitrogen and oxygen, which are transported by convection to the outer envelope of the stellar atmosphere. As the star finally collapses to become a white dwarf, this envelope is expelled from the star to form a planetary nebula (PN) rich in organic molecules. The physics, dynamics, and chemistry of these nebulae are poorly understood and have implications not only for our understanding of the stellar life cycle but also for organic astrochemistry and the creation of prebiotic molecules in interstellar space. We are working toward generating three-dimensional models of planetary nebulae (PNe), which include the size, orientation, shape, expansion rate and mass distribution of the nebula. Such a reconstruction of a PN is a challenging problem for several reasons. First, the data consist of images obtained over time from the Hubble Space Telescope (HST) and spectra obtained from Kitt Peak National Observatory (KPNO) and Cerro Tololo Inter-American Observatory (CTIO). These images are of course taken from a single viewpoint in space, which amounts to a very challenging tomographic reconstruction. Second, the fact that we have two disparate and orthogonal data types requires that we utilize a method that allows these data to be used together to obtain a solution. To address these first two challenges we employ Bayesian model estimation using a parameterized physical model that incorporates much prior information about the known physics of the PN. In our previous works we have found that the forward problem of the comprehensive model is extremely time consuming. To address this challenge, we explore the use of a set of hierarchical models, which allow us to estimate increasingly more detailed sets of model parameters. These hierarchical models of increasing complexity are akin to scientific theories of increasing sophistication, with each new model/theory being a refinement of a previous one by either incorporating additional prior information or by introducing a new set of parameters to model an entirely new phenomenon. We apply these models to both a simulated and a real ellipsoidal PN to initially estimate the position, angular size, and orientation of the nebula as a two-dimensional object and use these estimates to later examine its three-dimensional properties. The efficiency/accuracy tradeoffs of the techniques are studied to determine the advantages and disadvantages of employing a set of hierarchical models over a single comprehensive model.

Knuth, Kevin H.↗
NASA NTRS2004

Discovering Planetary Nebula Geometries: Explorations with a Hierarchy of Models

Astronomical objects known as planetary nebulae (PNe) consist of a shell of gas expelled by an aging medium-sized star as it makes its transition from a red giant to a white dwarf. In many cases this gas shell can be approximately described as a prolate ellipsoid. Knowledge of the physics of ionization processes in this gaseous shell enables us to construct a model in three dimensions (3D) called the Ionization-Bounded Prolate Ellipsoidal Shell model (IBPES model). Using this model we can generate synthetic nebular images, which can be used in conjunction with Hubble Space Telescope (HST) images of actual PNe to perform Bayesian model estimation. Since the IBPES model is characterized by thirteen parameters, model estimation requires the search of a 13-dimensional parameter space. The 'curse of dimensionality,' compounded by a computationally intense forward problem, makes forward searches extremely time-consuming and frequently causes them to become trapped in local solutions. We find that both the speed and of the search can be improved by judiciously reducing the dimensionality of the search space. Our basic approach employs a hierarchy of models of increasing complexity that converges to the IBPES model. Earlier studies establish that a hierarchical sequence converges more quickly, and to a better solution, than a search relying only on the most complex model. Here we report results for a hierarchy of five models. The first three models treat the nebula as a 2D image, while the last two models explore its characteristics as a 3D object and enable us to characterize the physics of the nebula. This five-model hierarchy is applied to HST images of ellipsoidal PNe to estimate their geometric properties and gas density profiles.

Huyser, Karen A.↗
NASA NTRS2016

A Comparison of Metamodeling Techniques via Numerical Experiments

This paper presents a comparative analysis of a few metamodeling techniques using numerical experiments for the single input-single output case. These experiments enable comparing the models' predictions with the phenomenon they are aiming to describe as more data is made available. These techniques include (i) prediction intervals associated with a least squares parameter estimate, (ii) Bayesian credible intervals, (iii) Gaussian process models, and (iv) interval predictor models. Aspects being compared are computational complexity, accuracy (i.e., the degree to which the resulting prediction conforms to the actual Data Generating Mechanism), reliability (i.e., the probability that new observations will fall inside the predicted interval), sensitivity to outliers, extrapolation properties, ease of use, and asymptotic behavior. The numerical experiments describe typical application scenarios that challenge the underlying assumptions supporting most metamodeling techniques.

Crespo, Luis G.↗
NASA NTRS2018

A Singular Value Decomposition Framework for Retrievals with Vertical Distribution Information from Greenhouse Gas Column Absorption Spectroscopy Measurements

We review the singular value decomposition (SVD) framework and use it for quantifying and discerning vertical information in greenhouse gas retrievals from column integrated absorption measurements. While the commonly used traditional Bayesian optimal estimation (OE) assumes a prior distribution in order to regularize the inversion problem, the SVD approach identifies principal components that can be retrieved from the measurement without explicitly specifying a prior mean and prior covariance matrix. We review the SVD method, explicitly recognize the use of an uninformative prior and show it to incur no bias from the choice of the prior. We also make the connection between the SVD method and the pseudo-inverse, which makes it more intuitive and easy to understand. We illustrate the use of the SVD method on an integrated path differential absorption CO2 lidar measurement model and verify our derivations and bias-free properties versus optimal estimation using numerical simulations. In contrast, traditional OE retrievals exhibit bias when the prior mean used in the retrieval differs from the true mean. Hence, the SVD method is particularly useful for situations in which knowledge of the prior mean and prior covariance of the true state (e.g., greenhouse gas profiles) is inadequate.

Ramanathan, Anand K.↗