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At least 919 records · Page 51

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DOE OSTI2020

A light weight regularization for wave function parameter gradients in quantum Monte Carlo

The parameter derivative of the expectation value of the energy, ∂E/∂p, is a key ingredient in variational Monte Carlo (VMC) wave function optimization methods. In some cases, a naïve estimate of this derivative suffers from an infinite variance, which inhibits the efficiency of optimization methods that rely on a stable estimate of the derivative. In this work, we derive a simple regularization of the naïve estimator, which is trivial to implement in existing VMC codes, has finite variance, and a negligible bias, which can be extrapolated to zero bias with no extra cost. We use this estimator to construct an unbiased, finite variance estimation of ∂E/∂p for a multi-Slater–Jastrow trial wave function on the LiH molecule and in the optimization of a multi-Slater–Jastrow trial wave function on the CuO molecule. This regularized estimator is a simple and efficient estimator of ∂E/∂p for VMC optimization techniques.

36 MATERIALS SCIENCE↗

NASA NTRS2019

A Comparative Study on Computation of Cumulative Distribution Function in Predicting Time of Failure of Engineering Systems

Estimating accurate Time-of-Failure (ToF) of a system is key in making the decisions that impact operational safety and optimize cost. In this context, it is interesting to note that different approaches have been explored to tackle the problem of estimating ToF. The difference is in part characterized by different definitions of the hazard zones. The conventional definition for the cumulative distribution function (CDF) calculation is assumed to have well-defined hazard zones, that is, hazard zones defined as a function of the system state trajectory. An alternate method suggests the use of hazard zones defined as a function of the system state at time , instead of hazard zones defined as a function of system state up to and including time k (Acuna and Orchard 2018, 2017). This paper explores these differences and their impact on ToF estimation. Results for the conventional CDF definition indicated that, (i) the cumulative distribution function is always an increasing function of time, even when realizations of the degradation process are not monotonic, (ii) the sum of all probabilities is always 1 and does not need to be normalized, and (iii) all probabilities are positive and less than or equal to 1. Similar results are not observed for CDF calculation with hazard zones defined as a function only of the system state at time . Results for ToF estimation using Acuna's definition differ, suggesting that there is an underlying assumption of independence in the hazard zone definition. Therefore, we present an alternate definition of hazard zone which guarantees the properties of a well-defined CDF with a more straightforward ToF definition.

Hazard Zone↗

DOE OSTI2024

Random insights into the complexity of two-dimensional tensor network calculations

Projected entangled pair states (PEPS) offer memory-efficient representations of some quantum many-body states that obey an entanglement area law and are the basis for classical simulations of ground states in two-dimensional (2d) condensed matter systems. However, rigorous results show that exactly computing observables from a 2d PEPS state is generically a computationally hard problem. Yet approximation schemes for computing properties of 2d PEPS are regularly used, and empirically seen to succeed, for a large subclass of (“not too entangled”) condensed matter ground states. Adopting the philosophy of random matrix theory, in this work, we analyze the complexity of approximately contracting a 2d random PEPS by exploiting an analytic mapping to an effective replicated statistical mechanics model that permits a controlled analysis at a large bond dimension. Through this statistical-mechanics lens, we argue that (i) although approximately sampling wave-function amplitudes of random PEPS faces a computational-complexity phase transition above a critical bond dimension, and (ii) one can generically efficiently estimate the norm and correlation functions for any finite bond dimension. Furthermore, these results are supported numerically for various bond-dimension regimes. It is an important open question whether the above results for random PEPS apply more generally also to PEPS representing physically relevant ground states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1986

An estimator-predictor approach to PLL loop filter design

An approach to the design of digital phase locked loops (DPLLs), using estimation theory concepts in the selection of a loop filter, is presented. The key concept is that the DPLL closed-loop transfer function is decomposed into an estimator and a predictor. The estimator provides recursive estimates of phase, frequency, and higher order derivatives, while the predictor compensates for the transport lag inherent in the loop. This decomposition results in a straightforward loop filter design procedure, enabling use of techniques from optimal and sub-optimal estimation theory. A design example for a particular choice of estimator is presented, followed by analysis of the associated bandwidth, gain margin, and steady state errors caused by unmodeled dynamics. This approach is under consideration for the design of the Deep Space Network (DSN) Advanced Receiver Carrier DPLL.

Statman, J. I.↗

NASA NTRS2011

Intelligent Control for Drag Reduction on the X-48B Vehicle

This paper focuses on the development of an intelligent control technology for in-flight drag reduction. The system is integrated with and demonstrated on the full X-48B nonlinear simulation. The intelligent control system utilizes a peak-seeking control method implemented with a time-varying Kalman filter. Performance functional coordinate and magnitude measurements, or independent and dependent parameters respectively, are used by the Kalman filter to provide the system with gradient estimates of the designed performance function which is used to drive the system toward a local minimum in a steepestdescent approach. To ensure ease of integration and algorithm performance, a single-input single-output approach was chosen. The framework, specific implementation considerations, simulation results, and flight feasibility issues related to this platform are discussed.

Griffin, Brian Joseph↗

DOE OSTI2025

Computational Optimization of 133m Xe Production via Neutron Irradiation in a TRIGA Reactor

Here, the Comprehensive Nuclear-Test-Ban Treaty bans all nuclear tests worldwide. As part of treaty compliance, the concentration of radioactive nuclides in the atmosphere is monitored to detect nuclear weapons tests. Radioactive noble gas fission products, specifically radioxenon, can vent into the atmosphere after a nuclear weapons test, even if the test is well contained underground or underwater. Radioxenon thus serves as a signal for nuclear weapons tests. All atmospheric monitoring systems require samples of radioxenon isotopes for detector calibration, quality control, and certification. Here, we present a novel, improved method for creating samples of 133m Xe via neutron irradiation of 132 Xe in the Washington State University TRIGA reactor. 132 Xe neutron absorption results in either 133 Xe or 133m Xe—thermal neutron absorption results in 133m Xe 12% of the time, while fast neutron absorption (above ~1 MeV) results in 133m Xe ~50% of the time. To optimize the production of 133m Xe via neutron absorption in 132 Xe in the thermal TRIGA reactor, spectral tuning using an irradiation chamber is required to maximize the fraction of fast neutrons being absorbed and minimize the number of thermal neutrons interacting with the 132 Xe. We used MCNP to tally 132 Xe absorptions with the isotopic tally function, flux tallies and neutron attenuation to estimate the number of neutrons reaching the 132 Xe through the irradiation chamber, and the adjoint importance function to improve the source strength estimate. Additionally, we performed a heat transfer analysis for safety considerations. It was determined that the use of a 96% enriched 10 B boron carbide chamber, placed next to the fuel elements in reactor position D8, increases the 133m Xe/ 133 Xe activity ratio from a baseline value of 0.3 to 1.0, a 233% increase. Additionally, it was determined that the alpha heating produced in the boron does not become an unmanageable problem in the Washington State University reactor.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

DOE OSTI2022

Update of the Nuclear Criticality Slide Rule: Review of the Estimation of the Number of Fissions

IRSN (France), LLNL (USA) and ORNL (USA) began a long-term collaboration effort in 2015 to update the nuclear criticality Slide Rule (https://ncsp.llnl.gov/analytical-methods/criticality-sliderule) for the emergency response to a nuclear criticality accident. The Slide Rule permits the estimation of neutron and gamma dose rates and integrated doses based upon estimated fission yields, as a function of distance from the fission source, and time after criticality accidents for different critical systems. This paper presents the review of the section “estimation of the number of fissions”, named “fission yield” in the Slide Rule document. This estimation is important because the other information provided by the Slide Rule is directly proportional to the number of fissions. The previous models, based on Hansen and Barbry formulae, will be presented with their associated assumptions and limitations. Then, new proposals will be presented with a comparison to past criticality accidents and experimental data. The new formulae, based on the heat energy equation, cover many types of criticality accidents (solution, dry or low-moderated powder, rods/assemblies in water and dry metal) and require limited information in an emergency situation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1985

Radiation pressure-driven shocks in winds from hot stars

The dynamical theory of radiation-pressure-driven shocks in winds from early-type stars is outlined. After the principal parameters needed for a description of these shocks are isolated (speeds relative to incoming material and their column densities), the shocks' principal properties as functions of these parameters are estimated. The special case of time-steady shocks is examined, and calculations are given for density, ionization state, temperature, and flow velocity as functions of position; also calculated are X-ray emissivity, UV line emissivity, and total radiation force as functions of shock velocity and postshock column density.

Krolik, J. H.↗

NASA NTRS1994

Performance of a 2-micrometer coherent Doppler lidar for wind measurements

Measurements of boundary layer winds are presented using a 2-micrometer coherent Doppler lidar and the optimal performance of the maximum likelihood estimator. The systematic error for single-shot estimates was estimated as 3.6 cm/s using measurements from a stationary hard target. The estimation error for measurements of the radial component of the wind field was determined, as well as the fraction of the estimates that are randomly distributed over the velocity search space, when the signal power is low and speckle fading is important. The results from actual data are compared with the results from ideal simulations. The first direct estimation of the spatial structure function of the radial wind field and of the energy dissipation rate is presented for both horizontal and vertical directions of propagation. The rms estimation error of the velocity estimates is found to be within 30% of ideal performance based on simulation.

Frehlich, Rod↗

NASA NTRS2011

Polarimetric, Two-Color, Photon-Counting Laser Altimeter Measurements of Forest Canopy Structure

Laser altimeter measurements of forest stands with distinct structures and compositions have been acquired at 532 nm (green) and 1064 nm (near-infrared) wavelengths and parallel and perpendicular polarization states using the Slope Imaging Multi-polarization Photon Counting Lidar (SIMPL). The micropulse, single photon ranging measurement approach employed by SIMPL provides canopy structure measurements with high vertical and spatial resolution. Using a height distribution analysis method adapted from conventional, 1064 nm, full-waveform lidar remote sensing, the sensitivity of two parameters commonly used for above-ground biomass estimation are compared as a function of wavelength. The results for the height of median energy (HOME) and canopy cover are for the most part very similar, indicating biomass estimations using lidars operating at green and near-infrared wavelengths will yield comparable estimates. The expected detection of increasing depolarization with depth into the canopies due to volume multiple-scattering was not observed, possibly due to the small laser footprint and the small detector field of view used in the SIMPL instrument. The results of this work provide pathfinder information for NASA's ICESat-2 mission that will employ a 532 nm, micropulse, photon counting laser altimeter.

Harding, David J.↗

NASA NTRS1989

An investigation of using an RQP based method to calculate parameter sensitivity derivatives

Estimation of the sensitivity of problem functions with respect to problem variables forms the basis for many of our modern day algorithms for engineering optimization. The most common application of problem sensitivities has been in the calculation of objective function and constraint partial derivatives for determining search directions and optimality conditions. A second form of sensitivity analysis, parameter sensitivity, has also become an important topic in recent years. By parameter sensitivity, researchers refer to the estimation of changes in the modeling functions and current design point due to small changes in the fixed parameters of the formulation. Methods for calculating these derivatives have been proposed by several authors (Armacost and Fiacco 1974, Sobieski et al 1981, Schmit and Chang 1984, and Vanderplaats and Yoshida 1985). Two drawbacks to estimating parameter sensitivities by current methods have been: (1) the need for second order information about the Lagrangian at the current point, and (2) the estimates assume no change in the active set of constraints. The first of these two problems is addressed here and a new algorithm is proposed that does not require explicit calculation of second order information.

Beltracchi, Todd J.↗

NASA NTRS2007

Noncoherent DTTLs for Symbol Synchronization

Noncoherent data-transition tracking loops (DTTLs) have been proposed for use as symbol synchronizers in digital communication receivers. [Communication- receiver subsystems that can perform their assigned functions in the absence of synchronization with the phases of their carrier signals ( carrier synchronization ) are denoted by the term noncoherent, while receiver subsystems that cannot function without carrier synchronization are said to be coherent. ] The proposal applies, more specifically, to receivers of binary phase-shift-keying (BPSK) signals generated by directly phase-modulating binary non-return-to-zero (NRZ) data streams onto carrier signals having known frequencies but unknown phases. The proposed noncoherent DTTLs would be modified versions of traditional DTTLs, which are coherent. The symbol-synchronization problem is essentially the problem of recovering symbol timing from a received signal. In the traditional, coherent approach to symbol synchronization, it is necessary to establish carrier synchronization in order to recover symbol timing. A traditional DTTL effects an iterative process in which it first generates an estimate of the carrier phase in the absence of symbol-synchronization information, then uses the carrier-phase estimate to obtain an estimate of the symbol-synchronization information, then feeds the symbol-synchronization estimate back to the carrier-phase-estimation subprocess. In a noncoherent symbol-synchronization process, there is no need for carrier synchronization and, hence, no need for iteration between carrier-synchronization and symbol- synchronization subprocesses. The proposed noncoherent symbolsynchronization process is justified theoretically by a mathematical derivation that starts from a maximum a posteriori (MAP) method of estimation of symbol timing utilized in traditional, coherent DTTLs. In that MAP method, one chooses the value of a variable of interest (in this case, the offset in the estimated symbol timing) that causes a likelihood function of symbol estimates over some number of symbol periods to assume a maximum value. In terms that are necessarily oversimplified to fit within the space available for this article, it can be said that the mathematical derivation involves a modified interpretation of the likelihood function that lends itself to noncoherent DTTLs. The proposal encompasses both linear and nonlinear noncoherent DTTLs. The performances of both have been computationally simulated; for comparison, the performances of linear and nonlinear coherent DTTLs have also been computationally simulated. The results of these simulations show that, among other things, the expected mean-square timing errors of coherent and noncoherent DTTLs are relatively insensitive to window width. The results also show that at high signal-to-noise ratios (SNRs), the performances of the noncoherent DTTLs approach those of their coherent counterparts at, while at low SNRs, the noncoherent DTTLs incur penalties of the order of 1.5 to 2 dB.

Simon, Marvin↗

DOE OSTI2019

Inverse regression for ridge recovery: a data-driven approach for parameter reduction in computer experiments

Parameter reduction can enable otherwise infeasible design and uncertainty studies with modern computational science models that contain several input parameters. In statistical regression, techniques for sufficient dimension reduction (SDR) use data to reduce the predictor dimension of a regression problem. A computational scientist hoping to use SDR for parameter reduction encounters a problem: a computer prediction is best represented by a deterministic function of the inputs, so data comprised of computer simulation queries fail to satisfy the SDR assumptions. To address this problem, here we interpret SDR methods sliced inverse regression (SIR) and sliced average variance estimation (SAVE) as estimating the directions of a ridge function, which is a composition of a low-dimensional linear transformation with a nonlinear function. Within this interpretation, SIR and SAVE estimate matrices of integrals whose column spaces are contained in the ridge directions’ span; we analyze and numerically verify convergence of these column spaces as the number of computer model queries increases. Moreover, we show example functions that are not ridge functions but whose inverse conditional moment matrices are low-rank. Consequently, the computational scientist should beware when using SIR and SAVE for parameter reduction, since SIR and SAVE may mistakenly suggest that truly important directions are unimportant.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Maximum Likelihood Estimation: Some Basics

The maximum likelihood estimation is a general estimation procedure. It is often compared to estimation procedures like the ordinary least squares regression or generalized method of moments, to name a few. We discuss some basics about the maximum likelihood estimation, its advantages and disadvantages, and provide an example application to a gamma distribution function.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Maximum Likelihood Estimation: Some Basics

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1996

Evaluation of high temperature superconductive thermal bridges for space borne cryogenic detectors

Infrared sensor satellites are used to monitor the conditions in the earth's upper atmosphere. In these systems, the electronic links connecting the cryogenically cooled infrared detectors to the significantly warmer amplification electronics act as thermal bridges and, consequently, the mission lifetimes of the satellites are limited due to cryogenic evaporation. High-temperature superconductor (HTS) materials have been proposed by researchers at the National Aeronautics and Space Administration Langley's Research Center (NASA-LaRC) as an alternative to the currently used manganin wires for electrical connection. The potential for using HTS films as thermal bridges has provided the motivation for the design and the analysis of a spaceflight experiment to evaluate the performance of this superconductive technology in the space environment. The initial efforts were focused on the preliminary design of the experimental system which allows for the quantitative comparison of superconductive leads with manganin leads, and on the thermal conduction modeling of the proposed system. Most of the HTS materials were indicated to be potential replacements for the manganin wires. In the continuation of this multi-year research, the objectives of this study were to evaluate the sources of heat transfer on the thermal bridges that have been neglected in the preliminary conductive model and then to develop a methodology for the estimation of the thermal conductivities of the HTS thermal bridges in space. The Joule heating created by the electrical current through the manganin wires was incorporated as a volumetric heat source into the manganin conductive model. The radiative heat source on the HTS thermal bridges was determined by performing a separate radiant interchange analysis within a high-T(sub c) superconductor housing area. Both heat sources indicated no significant contribution on the cryogenic heat load, which validates the results obtained in the preliminary conduction model. A methodology was presented for the estimation of the thermal conductivities of the individual HTS thermal bridge materials and the effective thermal conductivities of the composite HTS thermal bridges as functions of temperature. This methodology included a sensitivity analysis and the demonstration of the estimation procedure using simulated data with added random errors. The thermal conductivities could not be estimated as functions of temperature; thus the effective thermal conductivities of the HTS thermal bridges were analyzed as constants.

Scott, Elaine P.↗

NASA NTRS1986

Determination of lift and drag characteristics of Space Shuttle Orbiter using maximum likelihood estimation technique

This paper presents the technique and results of maximum likelihood estimation used to determine lift and drag characteristics of the Space Shuttle Orbiter. Maximum likelihood estimation uses measurable parameters to estimate nonmeasurable parameters. The nonmeasurable parameters for this case are elements of a nonlinear, dynamic model of the orbiter. The estimated parameters are used to evaluate a cost function that computes the differences between the measured and estimated longitudinal parameters. The case presented is a dynamic analysis. This places less restriction on pitching motion and can provide additional information about the orbiter such as lift and drag characteristics at conditions other than trim, instrument biases, and pitching moment characteristics. In addition, an output of the analysis is an estimate of the values for the individual components of lift and drag that contribute to the total lift and drag. The results show that maximum likelihood estimation is a useful tool for analysis of Space Shuttle Orbiter performance and is also applicable to parameter analysis of other types of aircraft.

Trujillo, B. M.↗

NASA NTRS1998

Transfer function analysis of dynamic cerebral autoregulation in humans

To test the hypothesis that spontaneous changes in cerebral blood flow are primarily induced by changes in arterial pressure and that cerebral autoregulation is a frequency-dependent phenomenon, we measured mean arterial pressure in the finger and mean blood flow velocity in the middle cerebral artery (VMCA) during supine rest and acute hypotension induced by thigh cuff deflation in 10 healthy subjects. Transfer function gain, phase, and coherence function between changes in arterial pressure and VMCA were estimated using the Welch method. The impulse response function, calculated as the inverse Fourier transform of this transfer function, enabled the calculation of transient changes in VMCA during acute hypotension, which was compared with the directly measured change in VMCA during thigh cuff deflation. Beat-to-beat changes in VMCA occurred simultaneously with changes in arterial pressure, and the autospectrum of VMCA showed characteristics similar to arterial pressure. Transfer gain increased substantially with increasing frequency from 0.07 to 0.20 Hz in association with a gradual decrease in phase. The coherence function was > 0.5 in the frequency range of 0.07-0.30 Hz and < 0.5 at < 0.07 Hz. Furthermore, the predicted change in VMCA was similar to the measured VMCA during thigh cuff deflation. These data suggest that spontaneous changes in VMCA that occur at the frequency range of 0.07-0.30 Hz are related strongly to changes in arterial pressure and, furthermore, that short-term regulation of cerebral blood flow in response to changes in arterial pressure can be modeled by a transfer function with the quality of a high-pass filter in the frequency range of 0.07-0.30 Hz.

NASA Discipline Cardiopulmonary↗