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All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Estimation of Model Error Variances During Data Assimilation

Data assimilation is all about understanding the error characteristics of the data and models that are used in the assimilation process. Reliable error estimates are needed to implement observational quality control, bias correction of observations and model fields, and intelligent data selection. Meaningful covariance specifications are obviously required for the analysis as well, since the impact of any single observation strongly depends on the assumed structure of the background errors. Operational atmospheric data assimilation systems still rely primarily on climatological background error covariances. To obtain error estimates that reflect both the character of the flow and the current state of the observing system, it is necessary to solve three problems: (1) how to account for the short-term evolution of errors in the initial conditions; (2) how to estimate the additional component of error caused by model defects; and (3) how to compute the error reduction in the analysis due to observational information. Various approaches are now available that provide approximate solutions to the first and third of these problems. However, the useful accuracy of these solutions very much depends on the size and character of the model errors and the ability to account for them. Model errors represent the real-world forcing of the error evolution in a data assimilation system. Clearly, meaningful model error estimates and/or statistics must be based on information external to the model itself. The most obvious information source is observational, and since the volume of available geophysical data is growing rapidly, there is some hope that a purely statistical approach to model error estimation can be viable. This requires that the observation errors themselves are well understood and quantifiable. We will discuss some of these challenges and present a new sequential scheme for estimating model error variances from observations in the context of an atmospheric data assimilation system.

Dee, Dick↗
DOE OSTI2016

Minimizing treatment planning errors in proton therapy using failure mode and effects analysis

Purpose: Failure mode and effects analysis (FMEA) is a widely used tool to evaluate safety or reliability in conventional photon radiation therapy. However, reports about FMEA application in proton therapy are scarce. The purpose of this study is to apply FMEA in safety improvement of proton treatment planning at their center. Methods: The authors performed an FMEA analysis of their proton therapy treatment planning process using uniform scanning proton beams. The authors identified possible failure modes in various planning processes, including image fusion, contouring, beam arrangement, dose calculation, plan export, documents, billing, and so on. For each error, the authors estimated the frequency of occurrence, the likelihood of being undetected, and the severity of the error if it went undetected and calculated the risk priority number (RPN). The FMEA results were used to design their quality management program. In addition, the authors created a database to track the identified dosimetric errors. Periodically, the authors reevaluated the risk of errors by reviewing the internal error database and improved their quality assurance program as needed. Results: In total, the authors identified over 36 possible treatment planning related failure modes and estimated the associated occurrence, detectability, and severity to calculate the overall risk priority number. Based on the FMEA, the authors implemented various safety improvement procedures into their practice, such as education, peer review, and automatic check tools. The ongoing error tracking database provided realistic data on the frequency of occurrence with which to reevaluate the RPNs for various failure modes. Conclusions: The FMEA technique provides a systematic method for identifying and evaluating potential errors in proton treatment planning before they result in an error in patient dose delivery. The application of FMEA framework and the implementation of an ongoing error tracking system at their clinic have proven to be useful in error reduction in proton treatment planning, thus improving the effectiveness and safety of proton therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Monte Carlo MP2-F12 for Noncovalent Interactions: The C 60 Dimer

A scalable stochastic algorithm is presented that can evaluate explicitly correlated (F12) second-order many-body perturbation (MP2) energies of weak, noncovalent, intermolecular interactions. It first transforms the formulas of the MP2 and F12 energy differences into a short sum of high-dimensional integrals of Green’s functions in real space and imaginary time. Furthermore, these integrals are then evaluated by the Monte Carlo method augmented by parallel execution, redundant-walker convergence acceleration, direct-sampling autocorrelation elimination, and control-variate error reduction. By sharing electron-pair walkers across the supermolecule and its subsystems spanned by the joint basis set, the statistical uncertainty is reduced by one to 2 orders of magnitude in the MP2 binding energy corrected for the basis-set incompleteness and superposition errors. The method predicts the MP2-F12/aug-cc-pVDZ binding energy of 19.1 ± 4.0 kcal mol –1 for the C 60 dimer at the center distance of 9.748 Å.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

Additive Runge-Kutta Schemes for Convection-Diffusion-Reaction Equations

Additive Runge-Kutta (ARK) methods are investigated for application to the spatially discretized one-dimensional convection-diffusion-reaction (CDR) equations. First, accuracy, stability, conservation, and dense output are considered for the general case when N different Runge-Kutta methods are grouped into a single composite method. Then, implicit-explicit, N = 2, additive Runge-Kutta ARK2 methods from third- to fifth-order are presented that allow for integration of stiff terms by an L-stable, stiffly-accurate explicit, singly diagonally implicit Runge-Kutta (ESDIRK) method while the nonstiff terms are integrated with a traditional explicit Runge-Kutta method (ERK). Coupling error terms are of equal order to those of the elemental methods. Derived ARK2 methods have vanishing stability functions for very large values of the stiff scaled eigenvalue, z(exp [I]) goes to infinity, and retain high stability efficiency in the absence of stiffness, z(exp [I]) goes to zero. Extrapolation-type stage-value predictors are provided based on dense-output formulae. Optimized methods minimize both leading order ARK2 error terms and Butcher coefficient magnitudes as well as maximize conservation properties. Numerical tests of the new schemes on a CDR problem show negligible stiffness leakage and near classical order convergence rates. However, tests on three simple singular-perturbation problems reveal generally predictable order reduction. Error control is best managed with a PID-controller. While results for the fifth-order method are disappointing, both the new third- and fourth-order methods are at least as efficient as existing ARK2 methods while offering error control and stage-value predictors.

Kennedy, Christopher A.↗
NASA NTRS2002

Additive Runge-Kutta Schemes for Convection-Diffusion-Reaction Equations

Additive Runge-Kutta (ARK) methods are investigated for application to the spatially discretized one- dimensional convection-diffusion-reaction (CDR) equations. Accuracy, stability, conservation, and dense-output are first considered for the general case when N different Runge-Kutta methods are grouped into a single composite method. Then, implicit-explicit, (N = 2), additive Runge-Kutta (ARK(sub 2)) methods from third- to fifth-order are presented that allow for integration of stiff terms by an L-stable, stiffly-accurate explicit, singly diagonally implicit Runge-Kutta (ESDIRK) method while the nonstiff terms are integrated with a traditional explicit Runge-Kutta method (ERK). Coupling error terms of the partitioned method are of equal order to those of the elemental methods. Derived ARK(sub 2) methods have vanishing stability functions for very large values of the stiff scaled eigenvalue, z['] yields -infinity, and retain high stability efficiency in the absence of stiffness, z['] yield 0. Extrapolation-type stage- value predictors are provided based on dense-output formulae. Optimized methods minimize both leading order ARK(sub 2) error terms and Butcher coefficient magnitudes as well as maximize conservation properties. Numerical tests of the new schemes on a CDR problem show negligible stiffness leakage and near classical order convergence rates. However, tests on three simple singular-perturbation problems reveal generally predictable order reduction. Error control is best managed with a PID-controller. While results for the fifth-order method are disappointing, both the new third- and fourth-order methods are at least as efficient as existing ARK(sub 2) methods.

Kennedy, Christopher A.↗
DOE OSTI2024

Gluon moment and parton distribution function of the pion from 𝑁 𝑓 = 2 +1 +1 lattice QCD

We present the first calculation of the pion gluon moment from lattice QCD in the continuum-physical limit. The calculation is done using clover fermions for the valence action with three pion masses, 220, 310 and 690 MeV, and three lattice spacings, 0.09, 0.12, and 0.15 fm, using ensembles generated by MILC Collaboration with 2+1+1 flavors of highly improved staggered quarks (HISQ). On the lattice, we nonperturbatively renormalize the gluon operator in RI/MOM scheme using the cluster-decomposition error reduction (CDER) technique to enhance the signal-to-noise ratio of the renormalization constant. We extrapolate the pion gluon moment to the continuum-physical limit and obtain ⟨𝑥⟩ 𝑔 = 0.394⁢(58) stat+NPR ⁢(39) mixing in the $\overline{MS}$ scheme at 2 GeV, with first error being the statistical error and uncertainties in nonperturbative renormalization, and the second being a systematic uncertainty estimating the effect of ignoring quark mixing. Our pion gluon momentum fraction has a central value lower than two recent single-ensemble lattice-QCD results near physical pion mass but is consistent with the recent global fits by JAM and xFitter and with most QCD-model estimates.

Astronomy & Astrophysics↗
DOE OSTI2021

Extending quantum probabilistic error cancellation by noise scaling

Here, we propose a general framework for quantum error mitigation that combines and generalizes two techniques: probabilistic error cancellation (PEC) and zero-noise extrapolation (ZNE). Similar to PEC, the proposed method represents ideal operations as linear combinations of noisy operations that are implementable on hardware. However, instead of assuming a fixed level of hardware noise, we extend the set of implementable operations by noise scaling. By construction, this method encompasses both PEC and ZNE as particular cases and allows us to investigate a larger set of hybrid techniques. For example, gate extrapolation can be used to implement PEC without requiring knowledge of the device’s noise model, e.g., avoiding gate-set tomography. Alternatively, probabilistic error reduction can be used to estimate expectation values at intermediate virtual noise strengths (below the hardware level), leading to partially mitigated results at a lower sampling cost. Moreover, multiple results obtained with different noise-reduction factors can be further postprocessed with ZNE to better approximate the zero-noise limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Importance of Geosat orbit and tidal errors in the estimation of large-scale Indian Ocean variations

To improve the estimate accuracy of large-scale meridional sea-level variations, Geosat ERM data on the Indian Ocean for a 26-month period were processed using two different techniques of orbit error reduction. The first technique removes an along-track polynomial of degree 1 over about 5000 km and the second technique removes an along-track once-per-revolution sine wave about 40,000 km. Results obtained show that the polynomial technique produces stronger attenuation of both the tidal error and the large-scale oceanic signal. After filtering, the residual difference between the two methods represents 44 percent of the total variance and 23 percent of the annual variance. The sine-wave method yields a larger estimate of annual and interannual meridional variations.

Perigaud, Claire↗
NASA NTRS2019

Assessing the Impact of Observations in a Multi-Year Reanalysis

Operational and quasi-operational weather prediction centers have been routinely assessing the contribution from various observing systems to reducing errors in short-range forecasts for a number of years now. The original technique, Forecast Sensitivity Observation Impact (FSOI), involves definition of a forecast error measure and evaluation of sensitivities with respect to changes in the observing system that require adjoint operators of both the underlying tangent linear model and corresponding analysis technique. The present work applies FSOI to Reanalysis and aims at providing an expanded view of the contribution of various observing systems over nearly 40 years of assimilation. Specifically, this study uses MERRA-2 given that its supporting software includes all ingredients necessary to calculate FSOI. Part of this work shows how the quality of forecasts improves over the course of the reanalysis, and examines forecast sensitivities relevant to FSOI. The assessment here finds, for example, that: conventional observations are a major player in reducing forecast error throughout the 40 years of reanalysis, even when their volume reduces from 45% in the earlier periods to about 5% in the modern era; satellite radiances, especially microwave instruments are major contributors to error reduction from the early single platform TIROS-N days to the current multi-platform scenario; infrared instruments play a secondary role to microwave but are significant still, with the peculiar result of fractional impacts contribution from modern hyperspectral instruments being roughly similar to those from early infrared instruments. The dependence of results on the chosen error measure is emphasized throughout.

Fabio L R Diniz↗
DOE OSTI2021

Error mitigation with Clifford quantum-circuit data

Achieving near-term quantum observables despite significant hardware noise. For this purpose, we propose a novel, scalable error-mitigation method that applies to gate-based quantum computers. The method generates training data { X i noisy , X i exact } via quantum circuits composed largely of Clifford gates, which can be efficiently simulated classically, where X i noisy and X i exact are noisy and noiseless observables respectively. Fitting a linear ansatz to this data then allows for the prediction of noise-free observables for arbitrary circuits. We analyze the performance of our method versus the number of qubits, circuit depth, and number of non-Clifford gates. Here, we obtain an order-of-magnitude error reduction for a ground-state energy problem on 16 qubits in an IBMQ quantum computer and on a 64-qubit noisy simulator.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Human factors of advanced technology (glass cockpit) transport aircraft

A three-year study of airline crews at two U.S. airlines who were flying an advanced technology aircraft, the Boeing 757 is discussed. The opinions and experiences of these pilots as they view the advanced, automated features of this aircraft, and contrast them with previous models they have flown are discussed. Training for advanced automation; (2) cockpit errors and error reduction; (3) management of cockpit workload; and (4) general attitudes toward cockpit automation are emphasized. The limitations of the air traffic control (ATC) system on the ability to utilize the advanced features of the new aircraft are discussed. In general the pilots are enthusiastic about flying an advanced technology aircraft, but they express mixed feelings about the impact of automation on workload, crew errors, and ability to manage the flight.

Wiener, Earl L.↗
DOE OSTI2026

What do physics-informed DeepONets learn? Understanding and improving training for scientific computing applications

Physics-informed deep operator networks (DeepONets) have emerged as a promising approach toward numerically approximating the solution of partial differential equations (PDEs). In this work, we aim to develop further understanding of what is being learned by physics-informed DeepONets by assessing the universality of the extracted basis functions and demonstrating their potential toward model reduction with spectral methods. Results provide clarity about measuring the performance of a physics-informed DeepONet through the decays of singular values and expansion coefficients. In addition, we propose a transfer learning approach for improving training for physics-informed DeepONets between parameters of the same PDE as well as across different, but related, PDEs where these models struggle to train well. This approach results in significant error reduction and learned basis functions that are more effective in representing the solution of a PDE.

Deep operator networks↗
DOE OSTI2023

Nonperturbatively renormalized nucleon gluon momentum fraction in the continuum limit of N f = 2 + 1 + 1 lattice QCD

We present the nonperturbatively renormalized nucleon gluon momentum fraction using ensembles with 2+1+1 flavors of highly improved staggered quarks (HISQ), generated by the MILC Collaboration. The calculation is done using clover fermions for the valence action with three pion masses, 220, 310, and 690 MeV, and three lattice spacings, 0.09, 0.12, and 0.15 fm. The renormalization is done using RI/MOM nonperturbative renormalization and using cluster-decomposition error reduction (CDER) to enhance the signal-to-noise ratio of the renormalization constant. We find the CDER technique is particularly important to improve the signal at the finer lattice ensembles where the lattice volume is larger. We extrapolate the gluon momentum fraction to the continuum-physical limit and obtain $\langle{x}\rangle$ g = 0.502⁢(53) stat+NPR ⁢(50) mixing in the $\overline{MS}$ scheme at 2 GeV, where first error includes the statistical error and uncertainties in nonperturbative renormalization, while the latter systematic error accounts for ignoring quark mixing. Our gluon momentum fraction is consistent with other recent lattice-QCD results at physical pion mass.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

A practical approach to determining the uncertainty of a pressure measurement system

The pressure measurement systems located at three propulsion component test stands at the Marshall Space Flight Center (MSFC) were evaluated for their specific measurement uncertainty levels. An elemental error source evaluation was performed to provide an analytical estimate of uncertainty. Applied loads tests were also conducted at the different MSFC test sites to derive an empirical estimate of uncertainty for the measurement system process. The analytical results are compared to those obtained empirically. The data from MFSC was also compared to data reported from other comparable test facilities. Methods for acquiring and processing the data from calibration, acquisition, and reduction error sources are also addressed.

Fish, James E.↗
DOE OSTI2025

Fault-tolerant operation and materials science with neutral atom logical qubits

We report on the fault-tolerant operation of logical qubits on a neutral atom quantum computer, with logical performance surpassing physical performance for multiple circuits including Bell state preparation (12x error reduction), random circuits (15x), and a prototype Anderson Impurity Model ground state solver for materials science applications (up to 6x, non-fault-tolerantly). The logical qubits are implemented via the [[4, 2, 2]] code (C 4 ). Our work constitutes the first complete realization of the benchmarking protocol proposed by Gottesman 2016 demonstrating results consistent with fault tolerance. In light of recent advances on applying concatenated C 4 /C 6 detection codes to achieve error correction with high code rates and thresholds, our work can be regarded as a building block towards a practical scheme for fault tolerant quantum computation. Our demonstration of a materials science application with logical qubits particularly demonstrates the immediate value of these techniques on current experiments.

36 MATERIALS SCIENCE↗
NASA NTRS2022

Using OSSEs to Evaluate the Impacts of Geostationary Infrared Sounders

An observing system simulation experiment (OSSE) was performed to assess the impact of assimilating hyperspectral infrared (IR) radiances from geostationary orbit on numerical weather prediction, with a focus on the proposed sounder on board the Geostationary Extended Observations (GeoXO) program’s central satellite. Infrared sounders on a geostationary platform would fill several gaps left by IR sounders on polar-orbiting satellites, and the increased temporal resolution would allow the observation of weather phenomena evolution. The framework for this OSSE was the Global Modeling and Assimilation Office (GMAO) OSSE system, which includes a full suite of meteorological observations. The experiment additionally assimilated four identical IR sounders from geostationary orbit to create a “ring” of vertical profiling observations. Based on the experimentation, assimilation of the IR sounders provided a beneficial impact on the analyzed mass and wind fields, particularly in the tropics, and produced an error reduction in the initial 24–48 h of the subsequent forecasts. Specific attention was paid to the impact of the GeoXO Sounder (GXS) over the contiguous United States (CONUS) as this is a region that is well-observed and as such difficult to improve. The forecast sensitivity to observation impact (FSOI) metric, computed across all four synoptic times over the CONUS, reveals that the GXS had the largest impact on the 24-h forecast error of the assimilated hyperspectral infrared satellite radiances as measured using a moist energy error norm. Based on this analysis, the proposed GXS has the potential to improve numerical weather prediction globally and over the CONUS.

OSSE↗
DOE OSTI2015

WE-G-BRA-01: Patient Safety and Treatment Quality Improvement Through Incident Learning: Experience of a Non-Academic Proton Therapy Center

Purpose: Incident learning has been proven to improve patient safety and treatment quality in conventional radiation therapy. However, its application in proton therapy has not been reported yet to our knowledge. In this study, we report our experience in developing and implementation of an in-house incident learning system. Methods: An incident learning system was developed based on published principles and tailored for our clinical practice and available resource about 18 months ago. The system includes four layers of error detection and report: 1) dosimetry peer review; 2) physicist plan quality assurance (QA); 3) treatment delivery issue on call and record; and 4) other incident report. The first two layers of QA and report were mandatory for each treatment plan through easy-to-use spreadsheets that are only accessible by the dosimetry and physicist departments. The treatment delivery issues were recorded case by case by the on call physicist. All other incidents were reported through an online incident report system, which can be anonymous. The incident report includes near misses on planning and delivery, process deviation, machine issues, work flow and documentation. Periodic incident reviews were performed. Results: In total, about 116 errors were reported through dosimetry review, 137 errors through plan QA, 83 treatment issues through physics on call record, and 30 through the online incident report. Only 8 incidents (2.2%) were considered to have a clinical impact to patients, and the rest of errors were either detected before reaching patients or had negligible dosimetric impact (<5% dose variance). Personnel training & process improvements were implemented upon periodic incident review. Conclusion: An incident learning system can be helpful in personnel training, error reduction, and patient safety and treatment quality improvement. The system needs to be catered for each clinic’s practice and available resources. Incident and knowledge sharing among proton centers are encouraged.

60 APPLIED LIFE SCIENCES↗