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DOE OSTI2025

Computational Performance Bounds Prediction in Quantum Computing With Unstable Noise

Quantum computing has significantly advanced in recent years, boasting devices with hundreds of quantum bits (qubits), hinting at its potential quantum advantage over classical computing. Yet, noise in quantum devices poses significant barriers to realizing this supremacy. Understanding noise’s impact is crucial for reproducibility and application reuse; moreover, the next-generation quantum-centric supercomputing essentially requires efficient and accurate noise characterization to support system management (e.g., job scheduling), where ensuring correct functional performance (i.e., fidelity) of jobs on available quantum devices can even be higher-priority than traditional objectives. However, noise fluctuates over time, even on the same quantum device, which makes predicting the computational bounds for on-the-fly noise is vital. Noisy quantum simulation can offer insights but faces efficiency and scalability issues. Here, in this work, we propose a data-driven workflow, namely QuBound, to predict computational performance bounds. It decomposes historical performance traces to isolate noise sources and devises a novel encoder to embed circuit and noise information processed by a Long Short-Term Memory (LSTM) network. For evaluation, we compare QuBound with a state-of-the-art learning-based predictor, which only generates a single performance value instead of a bound. Experimental results show that the result of the existing approach falls outside of performance bounds, while all predictions from our QuBound with the assistance of performance decomposition better fit the bounds. Moreover, QuBound can efficiently produce practical bounds for various circuits with over 106 speedup over simulation; in addition, the range from QuBound is over 10× narrower than the state-of-the-art analytical approach.

Li, Jinyang [George Mason Univ., Fairfax, VA (Unit↗
NASA NTRS1999

Elevation Change of the Southern Greenland Ice Sheet from Satellite Radar Altimeter Data

Long-term changes in the thickness of the polar ice sheets are important indicators of climate change. Understanding the contributions to the global water mass balance from the accumulation or ablation of grounded ice in Greenland and Antarctica is considered crucial for determining the source of the about 2 mm/yr sea-level rise in the last century. Though the Antarctic ice sheet is much larger than its northern counterpart, the Greenland ice sheet is more likely to undergo dramatic changes in response to a warming trend. This can be attributed to the warmer Greenland climate, as well as a potential for amplification of a global warming trend in the polar regions of the Northern Hemisphere. In collaboration with Drs. Curt Davis and Craig Kluever of the University of Missouri, we are using data from satellite radar altimeters to measure changes in the elevation of the Southern Greenland ice sheet from 1978 to the present. Difficulties with systematic altimeter measurement errors, particularly in intersatellite comparisons, beset earlier studies of the Greenland ice sheet thickness. We use altimeter data collected contemporaneously over the global ocean to establish a reference for correcting ice-sheet data. In addition, the waveform data from the ice-sheet radar returns are reprocessed to better determine the range from the satellite to the ice surface. At JPL, we are focusing our efforts principally on the reduction of orbit errors and range biases in the measurement systems on the various altimeter missions. Our approach emphasizes global characterization and reduction of the long-period orbit errors and range biases using altimeter data from NASA's Ocean Pathfinder program. Along-track sea-height residuals are sequentially filtered and backwards smoothed, and the radial orbit errors are modeled as sinusoids with a wavelength equal to one revolution of the satellite. The amplitudes of the sinusoids are treated as exponentially-correlated noise processes with a time-constant of six days. Measurement errors (e.g., altimeter range bias) are simultaneously recovered as constant parameters. The corrections derived from the global ocean analysis are then applied over the Greenland ice sheet. The orbit error and measurement bias corrections for different missions are developed in a single framework to enable robust linkage of ice-sheet measurements from 1978 to the present. In 1998, we completed our re-evaluation of the 1978 Seasat and 1985-1989 Geosat Exact Repeat Mission data. The estimates of ice thickness over Southern Greenland (south of 72N and above 2000 m) from 1978 to 1988 show large regional variations (+/-18 cm/yr), but yield an overall rate of +1.5 +/- 0.5 cm/yr (one standard error). Accounting for systematic errors, the estimate may not be significantly different from the null growth rate. The average elevation change from 1978 to 1988 is too small to assess whether the Greenland ice sheet is undergoing a long-term change.

Haines, Bruce J.↗
DOE OSTI2021

Accurate frozen core approximation for all-electron density-functional theory

We implement and benchmark the frozen core approximation, a technique commonly adopted in electronic structure theory to reduce the computational cost by means of mathematically fixing the chemically inactive core electron states. The accuracy and efficiency of this approach are well controlled by a single parameter, the number of frozen orbitals. Explicit corrections for the frozen core orbitals and the unfrozen valence orbitals are introduced, safeguarding against seemingly minor numerical deviations from the assumed orthonormality conditions of the basis functions. A speedup of over twofold can be achieved for the diagonalization step in all-electron density-functional theory simulations containing heavy elements, without any accuracy degradation in terms of the electron density, total energy, and atomic forces. This is demonstrated in a benchmark study covering 103 materials across the Periodic Table and a large-scale simulation of CsPbBr3 with 2560 atoms. Our study provides a rigorous benchmark of the precision of the frozen core approximation (sub-meV per atom for frozen core orbitals below −200 eV) for a wide range of test cases and for chemical elements ranging from Li to Po. The algorithms discussed here are implemented in the open-source Electronic Structure Infrastructure software package.

Yu, Victor Wen-zhe↗
DOE OSTI2022

Kinetic simulations of collision-less plasmas in open magnetic geometries

Laboratory plasmas in open magnetic geometries can be found in many different applications such as (a) scrape-of-layer (SOL) and divertor regions in toroidal confinement fusion devices, (b) linear divertor simulators, (c) plasma-based thrusters and (d) magnetic mirrors etc. A common feature of these plasma systems is the need to resolve, in addition to velocity space, at least one physical dimension (e.g. along flux lines) to capture the relevant physics. In general, this requires a kinetic treatment. Fully kinetic particle-in-cell (PIC) simulations can be applied but at the expense of large computational effort. A common way to resolve this is to use a hybrid approach: kinetic ions and fluid electrons. In the present work, the development of a hybrid PIC computational tool suitable for open magnetic geometries is described which includes (a) the effect of non-uniform magnetic fields, (b) finite fully-absorbing boundaries for the particles and (c) volumetric particle sources. Analytical expressions for the momentum transport in the paraxial limit are presented with their underlying assumptions and are used to validate the results from the PIC simulations. A general method is described to construct discrete particle distribution functions in a state of mirror-equilibrium. This method is used to obtain the initial state for the PIC simulation. Collisionless simulations in a mirror geometry are performed. The results show that the effect of magnetic compression is correctly described and momentum is conserved. The self-consistent electric field is calculated and is shown to modify the ion velocity distribution function in a manner consistent with analytic theory. Based on this analysis, the ion distribution function is understood in terms of a loss-cone distribution and an isotropic Maxwell-Boltzmann distribution driven by a volumetric plasma source. Finally, the inclusion of a Monte Carlo based Fokker-Planck collision operator is discussed in the context of future work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Selection of Vadose Zone Flow and Transport Properties with Gravel Fraction Corrections for the Hanford Site Composite Analysis and Cumulative Impact Evaluation

This environmental calculation file (ECF) is a compilation of hydrologic and radiological/chemical properties to be used for the updated Hanford Site Composite Analysis (CA) and Cumulative Impact Evaluation (CIE) vadose zone (VZ) modeling. The CA will provide an all-pathways dose projection to a hypothetical future member of the public from all planned low-level radioactive waste disposal facilities and potential contributions from all other projected end-state sources of radioactive material left at the Hanford Site following site closure. Its primary purpose is to support the decision-making process of the U.S. Department of Energy (DOE) under DOE O 435.1 Chg 1, Radioactive Waste Management, related to managing low-level waste disposal facilities at the Hanford Site. The CIE evaluates the effects of cleanup decisions regarding groundwater quality in the Hanford Site Central Plateau (DOE/RL-2018-69, Cumulative Impact Evaluation Technical Approach Document). Due to the complexity and large number of waste sites in source operable units (OUs), the computational tools used for the CIE must be capable of representing a range of site conditions and source terms in the VZ while also efficiently computing the impact that cleanup decisions have on the underlying aquifer. Waste-site proximity between and within source OUs has resulted in contaminants commingling in the vadose and saturated zones in complex ways. Plume commingling requires cleanup decisions to be evaluated considering the surrounding waste sites and existing groundwater contamination, therefore demonstrating the need to evaluate cumulative impacts from the VZ to groundwater.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Perturbation theory approach to predict the covariance matrices of the galaxy power spectrum and bispectrum in redshift space

In this paper, we predict the covariance matrices of both the power spectrum and the bispectrum, including full non-Gaussian contributions, redshift space distortions, linear bias effects, and shot-noise corrections, using perturbation theory (PT). To quantify the redshift-space distortion effect, we focus mainly on the monopole and quadrupole components of both the power and bispectra. We, for the first time, compute the 5- and 6-point spectra to predict the cross-covariance between the power and bispectra, and the autocovariance of the bispectrum in redshift space. Further, we test the validity of our calculations by comparing them with the covariance matrices measured from the MultiDark-Patchy mock catalogues that are designed to reproduce the galaxy clustering measured from the Baryon Oscillation Spectroscopic Survey Data Release 12. We argue that the simple, leading-order PT works because the shot-noise corrections for the Patchy mocks are more dominant than other higher order terms we ignore. In the meantime, we confirm some discrepancies in the comparison, especially of the cross-covariance. We discuss potential sources of such discrepancies. We also show that our PT model reproduces well the cumulative signal-to-noise ratio of the power spectrum and the bispectrum as a function of maximum wavenumber, implying that our PT model captures successfully essential contributions to the covariance matrices.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

Assimilation of SMAP Observations Over Land Improves the Simulation and Prediction of Tropical Cyclone Idai

This work is focused on the role of soil moisture in the prediction of tropical cyclones (TCs) approaching land and after landfall. Soil moisture conditions can impact the circulation and structure of an existing tropical cyclone (TC) when part or all of the circulation is over land. For example, dry land surface conditions may lead to faster dissipation of a TC over land (often associated with changes in precipitation structure), whereas very wet conditions may help sustain or in rare cases re-intensify a TC. Moreover, the presence of strong soil moisture gradients may affect the symmetry and development of the TC circulation leading to changes in its over-land track. While the link between soil moisture conditions and TC evolution in proximity to land is relatively well understood in theory, applications of these findings in the context of numerical weather prediction (NWP) have been limited. Here we present a case study that explores the potential of improving TC predictions through an improved soil moisture initialization in an NWP framework. Specifically, we examine the impact of assimilating observations from the NASA Soil Moisture Active Passive (SMAP) mission into the NASA Goddard Earth Observing System (GEOS) global weather model on the prediction of South-West Indian Ocean TC Idai (2019). SMAP provides accurate L-band (1.4 GHz) brightness temperatures (Tb) observations that are sensitive to soil moisture globally and at high revisit times of 2-3 days. It has previously been shown that the assimilation of SMAP Tb observations significantly improves modeled land surface states. Thus, it is expected that SMAP can be used to constrain land surface initial conditions and potentially benefit TC forecasts. Here we present two sets of retrospective forecasts of TC Idai that are compared in an Observing System Experiment framework at ¼ degree resolution: (i) forecasts initialized from an analysis that is comparable to the GEOS operational analysis (without SMAP Tb assimilation) and (ii) forecasts initialized from an analysis that additionally assimilates SMAP brightness temperature observations over land using a weakly-coupled land analysis. We find that the assimilation of SMAP meaningfully improves the representation of TC Idai’s structure as well as the prediction of its intensity and track. The analyzed TC size, as measured by the wind speed radius, is improved by up to 18% in the analysis with SMAP assimilation relative to the control run. The forecast intensity error, measured against the observed intensity, is reduced by up to 23%. At the 1/4-degree resolution used here, GEOS unavoidably under-estimates TC intensity and over-estimates TC size. The SMAP assimilation therefore corrects the model in the right direction, leading to a storm that is more energetic and more compact. Furthermore, we find that the along-track forecast error is reduced by up to 34%, indicating a more accurate propagation speed, which is consistent with the fact that TC speed over land is strongly affected by surface processes. The impact of SMAP assimilation on the forecast cross-track error is neutral. Across the TC forecast skill metrics used here, the improvements from SMAP DA are largest at lead times of 36 to 72 hours, suggesting that the predictability of forecasts at shorter lead times may be dominated by short-term convective processes, while the land and its longer memory gains in importance as a source of predictability on a 2-3 day timescale. We further investigated the underlying mechanisms leading to the skill improvements from SMAP data assimilation by isolating the land areas that directly influence TC Idai using a back trajectory analysis. We find that the assimilation of SMAP leads to wetter soil moisture conditions that cause an increased latent heat flux, which ultimately results in TC analyzed representation that has higher column-integrated total moisture content and total energy compared to the analysis in the control run without SMAP assimilation. Overall, the results highlight that the assimilation of SMAP observations into a global numerical weather prediction model can lead to pronounced improvements of TC predictions. This is a crucial step towards a better mitigation of the socio-economic impact of landfalling TCs and thus safeguarding human lives. Finally, our study presents an event-based approach that assesses the impact of land data assimilation for a particular weather event rather than by globally averaging differences in skill. We argue that global skill assessments – while necessary – can mute the impact of land data assimilation, because the land’s influence on the atmosphere is constrained to certain locations and certain times. Instead, the event-based approach better highlights the true potential of land data assimilation in the context of NWP, especially for extreme events when accurate predictions are critical.

Jana Kolassa↗
NASA NTRSDate not supplied

Assimilation of SMAP Observations Over Land Improves the Simulation and Prediction of Tropical Cyclone Idai

This work is focused on the role of soil moisture in the prediction of tropical cyclones (TCs) approaching land and after landfall. Soil moisture conditions can impact the circulation and structure of an existing tropical cyclone (TC) when part or all of the circulation is over land. For example, dry land surface conditions may lead to faster dissipation of a TC over land (often associated with changes in precipitation structure), whereas very wet conditions may help sustain or in rare cases re-intensify a TC. Moreover, the presence of strong soil moisture gradients may affect the symmetry and development of the TC circulation leading to changes in its over-land track. While the link between soil moisture conditions and TC evolution in proximity to land is relatively well understood in theory, applications of these findings in the context of numerical weather prediction (NWP) have been limited. Here we present a case study that explores the potential of improving TC predictions through an improved soil moisture initialization in an NWP framework. Specifically, we examine the impact of assimilating observations from the NASA Soil Moisture Active Passive (SMAP) mission into the NASA Goddard Earth Observing System (GEOS) global weather model on the prediction of South-West Indian Ocean TC Idai (2019). SMAP provides accurate L-band (1.4 GHz) brightness temperatures (Tb) observations that are sensitive to soil moisture globally and at high revisit times of 2-3 days. It has previously been shown that the assimilation of SMAP Tb observations significantly improves modeled land surface states. Thus, it is expected that SMAP can be used to constrain land surface initial conditions and potentially benefit TC forecasts. Here we present two sets of retrospective forecasts of TC Idai that are compared in an Observing System Experiment framework at ¼ degree resolution: (i) forecasts initialized from an analysis that is comparable to the GEOS operational analysis (without SMAP Tb assimilation) and (ii) forecasts initialized from an analysis that additionally assimilates SMAP brightness temperature observations over land using a weakly-coupled land analysis. We find that the assimilation of SMAP meaningfully improves the representation of TC Idai’s structure as well as the prediction of its intensity and track. The analyzed TC size, as measured by the wind speed radius, is improved by up to 18% in the analysis with SMAP assimilation relative to the control run. The forecast intensity error, measured against the observed intensity, is reduced by up to 23%. At the 1/4-degree resolution used here, GEOS unavoidably under-estimates TC intensity and over-estimates TC size. The SMAP assimilation therefore corrects the model in the right direction, leading to a storm that is more energetic and more compact. Furthermore, we find that the along-track forecast error is reduced by up to 34%, indicating a more accurate propagation speed, which is consistent with the fact that TC speed over land is strongly affected by surface processes. The impact of SMAP assimilation on the forecast cross-track error is neutral. Across the TC forecast skill metrics used here, the improvements from SMAP DA are largest at lead times of 36 to 72 hours, suggesting that the predictability of forecasts at shorter lead times may be dominated by short-term convective processes, while the land and its longer memory gains in importance as a source of predictability on a 2-3 day timescale. We further investigated the underlying mechanisms leading to the skill improvements from SMAP data assimilation by isolating the land areas that directly influence TC Idai using a back trajectory analysis. We find that the assimilation of SMAP leads to wetter soil moisture conditions that cause an increased latent heat flux, which ultimately results in TC analyzed representation that has higher column-integrated total moisture content and total energy compared to the analysis in the control run without SMAP assimilation. Overall, the results highlight that the assimilation of SMAP observations into a global numerical weather prediction model can lead to pronounced improvements of TC predictions. This is a crucial step towards a better mitigation of the socio-economic impact of landfalling TCs and thus safeguarding human lives. Finally, our study presents an event-based approach that assesses the impact of land data assimilation for a particular weather event rather than by globally averaging differences in skill. We argue that global skill assessments – while necessary – can mute the impact of land data assimilation, because the land’s influence on the atmosphere is constrained to certain locations and certain times. Instead, the event-based approach better highlights the true potential of land data assimilation in the context of NWP, especially for extreme events when accurate predictions are critical.

Jana Kolassa↗
NASA NTRS1993

A wet-geology and cold-climate Mars model: Punctuation of a slow dynamic approach to equilibrium

It was suggested that Mars may have possessed a relatively warm humid climate and a vigorous hydrological cycle involving meteoric precipitation, oceans, and continental ice sheets. Baker hypothesized that these geologically active conditions may have been repeated several times; each of these dynamic epochs was followed by a collapse of the climate and hydrologic cycle of Mars into essentially current conditions, completing what is termed a 'Baker cycle'. The purpose is to present an endmember possibility that Martian glacial landscapes, including some that were previously considered to have formed under warm climatic conditions, might be explained by processes compatible with an extremely cold surface. Two aspects of hypothesized Martian glacial terrains were cited as favoring a warm climate during Baker cycles: (1) the formation of some landscapes, including possible eskers, tunnel channels, drumlins, and outwash plains, appears to have required liquid water, and (2) a liquid-surfaced ocean was probably necessary to feed the glaciers. The requirement for liquid water, if these features were correctly interpreted, is difficult to avoid; it is entirely possible that a comparatively warm climate was involved, but it is not clear that formation of landforms by wet-based glaciers actually requires a warm climate. Even less certain is the supposed requirement for liquid oceans. Formation of glaciers only requires a source of water or ice to supply an amount of precipitation that exceeds losses due to melting and sublimation. At Martian temperatures precipitation is very low, but so are melting and sublimation, so a large body of ice that is unstable with respect to sublimation may take the role of Earth's oceans in feeding the glaciers. Recent models suggest that even current Martian polar caps, long thought to be static bodies of ice and dust, might actually be slow-moving, cryogenic continental glaciers. Is it possible that subglacial processes beneath cryogenic (but wetbased) ice sheets formed the hypothesized Martian glacial landscapes?

Kargel, J. S.↗
NASA NTRS2011

An Empirical State Error Covariance Matrix for Batch State Estimation

State estimation techniques serve effectively to provide mean state estimates. However, the state error covariance matrices provided as part of these techniques suffer from some degree of lack of confidence in their ability to adequately describe the uncertainty in the estimated states. A specific problem with the traditional form of state error covariance matrices is that they represent only a mapping of the assumed observation error characteristics into the state space. Any errors that arise from other sources (environment modeling, precision, etc.) are not directly represented in a traditional, theoretical state error covariance matrix. Consider that an actual observation contains only measurement error and that an estimated observation contains all other errors, known and unknown. It then follows that a measurement residual (the difference between expected and observed measurements) contains all errors for that measurement. Therefore, a direct and appropriate inclusion of the actual measurement residuals in the state error covariance matrix will result in an empirical state error covariance matrix. This empirical state error covariance matrix will fully account for the error in the state estimate. By way of a literal reinterpretation of the equations involved in the weighted least squares estimation algorithm, it is possible to arrive at an appropriate, and formally correct, empirical state error covariance matrix. The first specific step of the method is to use the average form of the weighted measurement residual variance performance index rather than its usual total weighted residual form. Next it is helpful to interpret the solution to the normal equations as the average of a collection of sample vectors drawn from a hypothetical parent population. From here, using a standard statistical analysis approach, it directly follows as to how to determine the standard empirical state error covariance matrix. This matrix will contain the total uncertainty in the state estimate, regardless as to the source of the uncertainty. Also, in its most straight forward form, the technique only requires supplemental calculations to be added to existing batch algorithms. The generation of this direct, empirical form of the state error covariance matrix is independent of the dimensionality of the observations. Mixed degrees of freedom for an observation set are allowed. As is the case with any simple, empirical sample variance problems, the presented approach offers an opportunity (at least in the case of weighted least squares) to investigate confidence interval estimates for the error covariance matrix elements. The diagonal or variance terms of the error covariance matrix have a particularly simple form to associate with either a multiple degree of freedom chi-square distribution (more approximate) or with a gamma distribution (less approximate). The off diagonal or covariance terms of the matrix are less clear in their statistical behavior. However, the off diagonal covariance matrix elements still lend themselves to standard confidence interval error analysis. The distributional forms associated with the off diagonal terms are more varied and, perhaps, more approximate than those associated with the diagonal terms. Using a simple weighted least squares sample problem, results obtained through use of the proposed technique are presented. The example consists of a simple, two observer, triangulation problem with range only measurements. Variations of this problem reflect an ideal case (perfect knowledge of the range errors) and a mismodeled case (incorrect knowledge of the range errors).

Frisbee, Joseph H., Jr.↗
DOE OSTI2025

Anode sensitivity calibration of photomultiplier tubes used as a readout of the ELOSS detector

We present and discuss the methodology and results for an anode sensitivity calibration of Photomultiplier Tubes (PMTs) that serve as the optical readout of the Energy Loss Optical Scintillation System (ELOSS). The ELOSS detector, under development at the Facility for Rare Isotope Beams (FRIB), is a gaseous Xe scintillation-based detector designed to identify the atomic number (Z) of nuclear reaction fragments by energy-loss measurement. Variation in the anode sensitivity from tube to tube of commercially available PMTs limits ELOSS from reaching its ultimate Z resolution. A methodical approach to calibrating PMT anode sensitivities to a single target value by systematic PMT gain corrections is presented. Although the calibration process is discussed in terms of its impact on ELOSS performance, the presented method is applicable to any optical detector system composed of a large number of PMTs needing anode sensitivity calibration.

Instrumentation for heavy-ion accelerators↗
NASA NTRS2001

Magnetized or Unmagnetized: Ambiguity Persists Following Galileo's Encounters with Io in 1999 and 2000

Magnetometer data from Galileo's close encounters with Io do not establish absolutely either the existence or absence of an internal magnetic moment because the measurements were made in regions where plasma currents contribute sizable magnetic perturbations. Data from an additional encounter where the closest approaches were made beneath Io's south polar regions, were lost. The recent passes enhance our understanding of the interaction of Io and its flux tube with the torus, and narrows the limits on possible internal sources of magnetic fields. Simple field-draping arguments account for some aspects of the observed rotations. Analyses in terms of both a magnetized and an unmagnetized Io are considered. Data from the February 2000 pass disqualify a strongly magnetized Io (surface equatorial field stronger than the background field) but do not disqualify a weakly magnetized Io (surface equatorial field of the order of Ganymede's but smaller than the background field at Io). Models imply that if Io is magnetized, its magnetic moment is not absolutely antialigned with the rotation axis. The inferred tilt is consistent with contributions from an inductive field on the order of those observed at Europa and Callisto. The currents would flow in the outer mantle or aesthenosphere if an induced field is present. Wave perturbations differing on flux tubes that do or do not link directly to Io and its ionosphere suggest the following: (1) the latter flux tubes are almost stagnant in Io's frame; and (2) a unipolar inductor correctly models the currents linking Io to Jupiter's ionosphere.

Kivelson, Margaret G.↗
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 OSTI2026

Assessing shellfish water exposure to fecal bacteria pollution in Salish Sea: three-dimensional modeling and implications for monitoring

Fecal bacteria (FB) contamination poses significant risks to shellfish safety and management in coastal and estuarine waters. Despite extensive pollution identification and correction efforts, FB contamination in shellfish-growing areas persists in the Salish Sea, highlighting the need to identify overlooked sources and better understand FB transport from riverine and shoreline inputs to shellfish beds. To address this, a high-resolution three-dimensional hydrodynamic model coupled with FB kinetics was developed and applied to a case study site in Salish Sea—Portage Bay—to simulate freshwater plume circulation, flushing dynamics, and bacterial transport. Daily FB loading from the major freshwater inflow—Nooksack River was generated by both linear interpolation and integrating a machine learning approach (XGBoost), trained on historical hydrological and meteorological data. The model successfully reproduced both the magnitude and seasonal variation of FB concentrations in Portage Bay for the year of 2021, demonstrating that simplified FB kinetics with first-order decay due to mortality was effective in this dynamic coastal environment with short flushing time. Model results identified the Nooksack River as the dominant far-field FB source, while scenario simulations showed that near-field coastal stormwater outfalls elevated local FB levels following rainfall, particularly under low-flow conditions. The XGBoost prediction provided comparable or superior accuracy to linear interpolation, particularly during periods of missing observational data, by capturing short-term variability and event-driven loading more effectively. Integrating data-driven riverine FB inputs with mechanistic coastal numerical modeling provides a robust framework for operational forecasting of shellfish bed exposure risk and supports adaptive monitoring and management of shellfish growing areas in the Salish Sea and similar coastal systems.

Salish Sea↗
NASA NTRS2019

A Systematic Approach to Isolating the Causes and Impacts of Climate Model Bias Employing Analysis Increments

One of the most promising approaches to isolating the causes and understanding the impacts of climate model formulation errors is through the utilization of information contained in short-term forecast errors. The underlying assumption being that by capturing the errors at the very early stages of growth (before nonlinearities develop), we should be able to associate those errors with specific deficiencies in the model's formulation of the relevant physical processes. Here, we provide an example of utilizing the long-term mean of the 6-hourly analysis increments (first guess forecast minus analysis) produced by MERRA-2 to correct the NASA/GEOS AGCM over well-defined regions, thereby allowing us to quantify how the reduced tendency errors in these regions manifest themselves both locally and remotely through large-scale teleconnections to reduce the model's climatological biases. We extend previous work (focused on boreal summer) to address the full annual cycle of model bias. A key result is the large seasonality of the errors over the Tibet region and their impacts on the Northern Hemisphere jet biases, and related precipitation and temperature biases over North American. Attempts to correct the phase and amplitude errors of the climatological boreal winter ridge over western North America (a likely key requirement for improving winter climate forecasts over North America) reveal a surprising complexity in the sources of the errors in what is otherwise manifest as a rather simple PNA-like bias structure.

Schubert, S.↗
NASA NTRS2013

Characterization and Correction of Aquarius Long Term Calibration Drift Using On-Earth Brightness Temperature Refernces

The Aquarius/SAC-D mission was launched on June 10, 2011 from Vandenberg Air Force Base. Aquarius consists of an L-band radiometer and scatterometer intended to provide global maps of sea surface salinity. One of the main mission objectives is to provide monthly global salinity maps for climate studies of ocean circulation, surface evaporation and precipitation, air/sea interactions and other processes. Therefore, it is critical that any spatial or temporal systematic biases be characterized and corrected. One of the main mission requirements is to measure salinity with an accuracy of 0.2 psu on montly time scales which requires a brightness temperature stability of about 0.1K, which is a challenging requirement for the radiometer. A secondary use of the Aquarius data is for soil moisture applications, which requires brightness temperature stability at the warmer end of the brightness temperature dynamic range. Soon after launch, time variable drifts were observed in the Aquarius data compared to in-situ data from ARGO and models for the ocean surface salinity. These drifts could arise from a number of sources, including the various components of the retrieval algorithm, such as the correction for direct and reflected galactic emission, or from the instrument brightness temperature calibration. If arising from the brightness temperature calibration, they could have gain and offset components. It is critical that the nature of the drifts be understood before a suitable correction can be implemented. This paper describes the approach that was used to detect and characterize the components of the drift that were in the brightness temperature calibration using on-Earth reference targets that were independent of the ocean model.

Aquarius↗
NASA NTRS2006

NASA Taxonomies for Searching Problem Reports and FMEAs

Many types of hazard and risk analyses are used during the life cycle of complex systems, including Failure Modes and Effects Analysis (FMEA), Hazard Analysis, Fault Tree and Event Tree Analysis, Probabilistic Risk Assessment, Reliability Analysis and analysis of Problem Reporting and Corrective Action (PRACA) databases. The success of these methods depends on the availability of input data and the analysts knowledge. Standard nomenclature can increase the reusability of hazard, risk and problem data. When nomenclature in the source texts is not standard, taxonomies with mapping words (sets of rough synonyms) can be combined with semantic search to identify items and tag them with metadata based on a rich standard nomenclature. Semantic search uses word meanings in the context of parsed phrases to find matches. The NASA taxonomies provide the word meanings. Spacecraft taxonomies and ontologies (generalization hierarchies with attributes and relationships, based on terms meanings) are being developed for types of subsystems, functions, entities, hazards and failures. The ontologies are broad and general, covering hardware, software and human systems. Semantic search of Space Station texts was used to validate and extend the taxonomies. The taxonomies have also been used to extract system connectivity (interaction) models and functions from requirements text. Now the Reconciler semantic search tool and the taxonomies are being applied to improve search in the Space Shuttle PRACA database, to discover recurring patterns of failure. Usual methods of string search and keyword search fall short because the entries are terse and have numerous shortcuts (irregular abbreviations, nonstandard acronyms, cryptic codes) and modifier words cannot be used in sentence context to refine the search. The limited and fixed FMEA categories associated with the entries do not make the fine distinctions needed in the search. The approach assigns PRACA report titles to problem classes in the taxonomy. Each ontology class includes mapping words - near-synonyms naming different manifestations of that problem class. The mapping words for Problems, Entities and Functions are converted to a canonical form plus any of a small set of modifier words (e.g. non-uniformity NOT + UNIFORM.) The report titles are parsed as sentences if possible, or treated as a flat sequence of word tokens if parsing fails. When canonical forms in the title match mapping words, the PRACA entry is associated with the corresponding Problem, Entity or Function in the ontology. The user can search for types of failures associated with types of equipment, clustering by type of problem (e.g., all bearings found with problems of being uneven: rough, irregular, gritty ). The results could also be used for tagging PRACA report entries with rich metadata. This approach could also be applied to searching and tagging failure modes, failure effects and mitigations in FMEAs. In the pilot work, parsing 52K+ truncated titles (the test cases that were available), has resulted in identification of both a type of equipment and type of problem in about 75% of the cases. The results are displayed in a manner analogous to Google search results. The effort has also led to the enrichment of the taxonomy, adding some new categories and many new mapping words. Further work would make enhancements that have been identified for improving the clustering and further reducing the false alarm rate. (In searching for recurring problems, good clustering is more important than reducing false alarms). Searching complete PRACA reports should lead to immediate improvement.

Malin, Jane T.↗
NASA NTRS1989

High speed turboprop aeroacoustic study (single rotation). Volume 1: Model development

A frequency-domain noncompact-source theory for the steady loading and volume-displacement (thickness) noise of high speed propellers has been developed and programmed. Both near field and far field effects have been considered. The code utilizes blade surface pressure distributions obtained from three-dimensional nonlinear aerodynamic flow field analysis programs as input for evaluating the steady loading noise. Simplified mathematical models of the velocity fields induced at the propeller disk by nearby wing and fuselage surfaces and by angle-of-attack operation have been developed to provide estimates of the unsteady loading imposed on the propeller by these potential field type interactions. These unsteady blade loadings have been coupled to a chordwise compact propeller unsteady loading noise model to provide predictions of unsteady loading noise caused by these installation effects. Finally, an analysis to estimate the corrections to be applied to the free-field noise predictions in order to arrive at the measurable fuselage sound pressure levels has been formulated and programmed. This analysis considers the effects of fuselage surface reflection and diffraction together with surface boundary layer refraction. The steady loading and thickness model and the unsteady loading model have been verified using NASA-supplied data for the SR-2 and SR-3 model propfans. In addition, the steady loading and thickness model has been compared with data from the SR-6 model propfan. These theoretical models have been employed in the evaluation of the SR-7 powered Gulfstream aircraft in terms of noise characteristics at representative takeoff, cruise, and approach operating conditions. In all cases, agreement between theory and experiment is encouraging.

Whitfield, C. E.↗