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DOE OSTI2022

Analysis of Integrated Vapor Transport Biases

Abstract High-fidelity analyses and forecasts of integrated vapor transport (VT) are central to the study of Earth’s hydrological cycle as well as high-impact phenomena such as monsoons and atmospheric rivers. The impact of the in-line analysis correction-based additive inflation (ACAI) on IVT biases and forecast errors is examined within the Navy Earth System Prediction Capability (Navy ESPC) global coupled system. The ACAI technique uses atmospheric analysis corrections from the data assimilation system to approximate model bias and as a representation of stochastic model error to simultaneously reduce systematic and random errors and improve ensemble performance. ACAI reduces the global average magnitude of the 7- and 14-day IVT bias by 16%–17% during Northern Hemisphere summer, reaching 70% reductions in some tropical regions. The global average IVT bias reduction is similar to the bias reduction for low-level wind speed bias and considerably smaller than the bias reduction in total precipitable water. The localized regions where ACAI increases IVT bias occur where the control IVT biases change sign and structure with increasing forecast lead time, such as the South Asian monsoon region. Substituting analyzed wind or moisture fields for the forecast fields when calculating the forecast IVT confirms that, on average, wind errors dominate the IVT error calculation in the tropics, although wind and moisture error contributions are comparable in the extratropics. The existence of regions where using either analyzed winds or analyzed moisture increases IVT bias or mean absolute error reveals areas with compensating errors.

Reynolds, Carolyn A.↗

DOE OSTI2022

Toward Forecasting Geomagnetic Storms

We present a selection of attempts to infer geomagnetic storm properties from time series data. Initially, we unsuccessfully attempt to predict the duration of a geomagnetic storm based on data preceding the onset of a geomagnetic storm. Similar techniques are also used to attempt to predict the maximum depth of a geomagnetic storm. Additionally, we present a case study in Gaussian Process regression, where we are able to accurately interpolate between geomagnetic storm parameters, but are unable to predict future storm behavior. Lastly, we describe attempts at using random forest regression with sliding windows to infer geomagnetic storm behavior at future times. These results did not provide robust forecasts of geomagnetic storm behavior, but did occasionally correctly predict a storm within the margin of error. Techniques presented in this paper include machine learning classification and regression, Gaussian Process regression, and machine learning regression with sliding windows. Many of the attempts presented in this document did not result in meaningful predictions of geomagnetic storm behavior. We hope this document can be used as a guide for future readers attempting to predict geomagnetic storm properties.

58 GEOSCIENCES↗

NASA NTRS1999

Constructing Synoptic Maps of Stratospheric Column Ozone from HALOE, SAGE and Balloonsonde Data Using Potential Vorticity Isentropic Coordinate Transformations

In this study we utilize potential vorticity - isentropic (PVI) coordinate transformations as a means of combining ozone data from different sources to construct daily, synthetic three-dimensional ozone fields. This methodology has been used successfully to reconstruct ozone maps in particular regions from aircraft data over the period of the aircraft campaign. We expand this method to create high-resolution daily global maps of profile ozone data, particularly in the lower stratosphere, where high-resolution ozone data are sparse. Ozone climatologies in PVI-space are constructed from satellite-based SAGE II and UARS/HALOE data, both of which-use solar occultation techniques to make high vertical resolution ozone profile measurements, but with low spatial resolution. A climatology from ground-based balloonsonde data is also created. The climatologies are used to establish the relationship between ozone and dynamical variability, which is defined by the potential vorticity (in the form of equivalent latitude) and potential temperature fields. Once a PVI climatology has been created from data taken by one or more instruments, high-resolution daily profile ozone field estimates are constructed based solely on the PVI fields, which are available on a daily basis from NCEP analysis. These profile ozone maps could be used for a variety of applications, including use in conjunction with total ozone maps to create a daily tropospheric ozone product, as input to forecast models, or as a tool for validating independent ozone measurements when correlative data are not available. This technique is limited to regions where the ozone is a long-term tracer and the flow is adiabatic. We evaluate the internal consistency of the technique by transforming the ozone back to physical space and comparing to the original profiles. Biases in the long-term average of the differences are used to identify regions where the technique is consistently introducing errors. Initial results show the technique is useful in the lower stratosphere at most latitudes throughout the year,and in the winter hemisphere in the middle stratosphere. The results are problematic in the summer hemisphere middle stratosphere due to increased ozone photochemistry and weak PV gradients. Alternate techniques in these regions will be discussed. An additional limitation is the quality and resolution of the meteorological data.

Hollandsworth, Stacey M.↗

NASA NTRS2007

Evaluation of Radiation Belt Space Weather Forecasts for Internal Charging Analyses

A variety of static electron radiation belt models, space weather prediction tools, and energetic electron datasets are used by spacecraft designers and operations support personnel as internal charging code inputs to evaluate electrostatic discharge risks in space systems due to exposure to relativistic electron environments. Evaluating the environment inputs is often accomplished by comparing whether the data set or forecast tool reliability predicts measured electron flux (or fluence over a given period) for some chosen period. While this technique is useful as a model metric, it does not provide the information necessary to evaluate whether short term deviances of the predicted flux is important in the charging evaluations. In this paper, we use a 1-D internal charging model to compute electric fields generated in insulating materials as a function of time when exposed to relativistic electrons in the Earth's magnetosphere. The resulting fields are assumed to represent the "true" electric fields and are compared with electric field values computed from relativistic electron environments derived from a variety of space environment and forecast tools. Deviances in predicted fields compared to the "true" fields which depend on insulator charging time constants will be evaluated as a potential metric for determining the importance of predicted and measured relativistic electron flux deviations over a range of time scales.

Minow, Joseph I.↗

DOE OSTI2025

Attention-based functional-group coarse-graining: a deep learning framework for molecular prediction and design

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML training. In this study, we report a data-efficient, deep-learning framework for molecular discovery that integrates a coarse-grained functional-group representation with a self-attention mechanism to capture intricate chemical interactions. Our approach exploits group-contribution concepts to create a graph-based intermediate representation of molecules, serving as a low-dimensional embedding that substantially reduces the data demands typically required for training. Using a self-attention mechanism to learn the subtle but highly relevant chemical context of functional groups, the method proposed here consistently outperforms existing approaches for predictions of multiple thermophysical properties. In a case study focused on adhesive polymer monomers, we train on a limited dataset comprising only 6,000 unlabeled and 600 labeled monomers. The resulting chemistry prediction model achieves over 92% accuracy in forecasting properties directly from SMILES strings, exceeding the performance of current state-of-the-art techniques. Furthermore, the latent molecular embedding is invertible, enabling the design pipeline to automatically generate new monomers from the learned chemical subspace. We illustrate this functionality by targeting several properties, including high and low glass transition temperatures (Tg), and demonstrate that our model can identify new candidates with values that surpass those in the training set. The ease with which the proposed framework navigates both chemical diversity and data scarcity offers a promising route to accelerate and broaden the search for functional materials.

Han, Ming [Univ. of Chicago, IL (United States)]↗

NASA NTRS1984

Operational numerical weather prediction on the CYBER 205 at the National Meteorological Center

The Development Division of the National Meteorological Center (NMC), having the responsibility of maintaining and developing the numerical weather forecasting systems of the center, is discussed. Because of the mission of NMC data products must be produced reliably and on time twice daily free of surprises for forecasters. Personnel of Development Division are in a rather unique situation. They must develop new advanced techniques for numerical analysis and prediction utilizing current state-of-the-art techniques, and implement them in an operational fashion without damaging the operations of the center. With the computational speeds and resources now available from the CYBER 205, Development Division Personnel will be able to introduce advanced analysis and prediction techniques into the operational job suite without disrupting the daily schedule. The capabilities of the CYBER 205 are discussed.

Deaven, D.↗

NASA NTRS1983

Short-range quantitative precipitation forecasts using a divergent initialization

Data simulations and real data tests indicate that the treatment of the initial divergence field in a mesoscale weather prediction model strongly influences the quality of the first 6 hours of a rainfall forecast. Of the procedures tested for determining the initial divergence field for the predictions, the best technique is found to be the Tarbell et al. (1981) diagnostic procedure, where a diabatic form of the omega equation is used to obtain a three-dimensional vertical motion field that in turn can be used in conjunction with a continuity equation to obtain the horizontal divergence fields.

Salmon, E. M.↗

NASA NTRS1993

Emerging technologies for the changing global market

This project served to define an appropriate methodology for effective prioritization of technology efforts required to develop replacement technologies mandated by imposed and forecast legislation. The methodology used is a semi-quantative approach derived from quality function deployment techniques (QFD Matrix). This methodology aims to weight the full environmental, cost, safety, reliability, and programmatic implications of replacement technology development to allow appropriate identification of viable candidates and programmatic alternatives. The results will be implemented as a guideline for consideration for current NASA propulsion systems.

Cruit, Wendy↗

NASA NTRS2018

Effects of Version 2 of the International Sunspot Number on Naive Predictions of Solar Cycle 25

The recalibration of the International Sunspot Number brings new challenges to predictions of Solar Cycle 25. One is that the list of extrema for the original series is no longer usable because the values of all maxima and minima are different for the new version of the sunspot number. Timings of extrema are less sensitive to the recalibration but are a natural result of the calculation. Predictions of Solar Cycle 25 published before 2016 must be converted to the new version of the sunspot number. Any prediction method that looks across the entire time span will have to be reconsidered because values in the nineteenth century were corrected by a larger factor than those in the twentieth century. We report a list of solar maxima and minima values and timings based on the recalibrated sunspot number. Naïve forecasts that depend only on the current values of the time series are common in economic studies. Several naïve predictions of Solar Cycle 25, the climatological average (180 ± 60), two versions of the inertial forecast, and two versions of the even-odd forecast, are derived from that table. The climatological average forecast is the baseline for more accurate predictions and the initial forecast in assimilative models of the Sun. It also provides the error estimate for Monte Carlo techniques that anticipate the long-term effects on the terrestrial environment. The other four predictions are shown to be statistically insignificant.

Pesnell, W. Dean↗

NASA NTRS1977

Deriving mesoscale temperature and moisture fields from satellite radiance measurements over the United States

The ability to provide mesoscale temperature and moisture fields from operational satellite infrared sounding radiances over the United States is explored. High-resolution sounding information for mesoscale analysis and forecasting is shown to be obtainable in mostly clear areas. An iterative retrieval algorithm applied to NOAA-VTPR radiances uses a mean radiosonde sounding as a best initial-guess profile. Temperature soundings are then retrieved at a horizontal resolution of about 70 km, as is an indication of the precipitable water content of the vertical sounding columns. Derived temperature values may be biased in general by the initial-guess sounding or in certain areas by the cloud correction technique, but the resulting relative temperature changes across the field when not contaminated by clouds will be useful for mesoscale forecasting and models. The derived moisture, affected only by high clouds, proves to be reliable to within 0.5 cm of precipitable water and contains valuable horizontal information. Present-day applications from polar-orbiting satellites as well as possibilities from upcoming temperature and moisture sounders on geostationary satellites are noted.

Hillger, D. W.↗

NASA NTRS2004

Exploring New Pathways in Precipitation Assimilation

Precipitation assimilation poses a special challenge in that the forward model for rain in a global forecast system is based on parameterized physics, which can have large systematic errors that must be rectified to use precipitation data effectively within a standard statistical analysis framework. We examine some key issues in precipitation assimilation and describe several exploratory studies in assimilating rainfall and latent heating information in NASA's global data assimilation systems using the forecast model as a weak constraint. We present results from two research activities. The first is the assimilation of surface rainfall data using a time-continuous variational assimilation based on a column model of the full moist physics. The second is the assimilation of convective and stratiform latent heating retrievals from microwave sensors using a variational technique with physical parameters in the moist physics schemes as a control variable. We will show the impact of assimilating these data on analyses and forecasts. Among the lessons learned are (1) that the time-continuous application of moisture/temperature tendency corrections to mitigate model deficiencies offers an effective strategy for assimilating precipitation information, and (2) that the model prognostic variables must be allowed to directly respond to an improved rain and latent heating field within an analysis cycle to reap the full benefit of assimilating precipitation information. of microwave radiances versus retrieval information in raining areas, and initial efforts in developing ensemble techniques such as Kalman filter/smoother for precipitation assimilation. Looking to the future, we discuss new research directions including the assimilation

Hou, Arthur↗

DOE OSTI2024

xesn: Echo state networks powered by Xarray and Dask

Xesn is a Python package that allows scientists to easily design Echo State Networks (ESNs) for forecasting problems. ESNs are a Recurrent Neural Network architecture introduced by Jaeger (2001) that are part of a class of techniques termed Reservoir Computing. One defining characteristic of these techniques is that all internal weights are determined by a handful of global, scalar parameters, thereby avoiding problems during backpropagation and reducing training time significantly. Because this architecture is conceptually simple, many scientists implement ESNs from scratch, leading to questions about computational performance. Xesn offers a straightforward, standard implementation of ESNs that operates efficiently on CPU and GPU hardware. The package leverages optimization tools to automate the parameter selection process, so that scientists can reduce the time finding a good architecture and focus on using ESNs for their domain application. Importantly, the package flexibly handles forecasting tasks for out-of-core, multi-dimensional datasets, eliminating the need to write parallel programming code. Xesn was initially developed to handle the problem of forecasting weather dynamics, and so it integrates naturally with Python packages that have become familiar to weather and climate scientists such as Xarray (Hoyer & Hamman, 2017). However, the software is ultimately general enough to be utilized in other domains where ESNs have been useful, such as in signal processing (Jaeger & Haas, 2004).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

AI/ML-Enhanced Wind Forecasts for Reducing Uncertainty in Prescribed Fire Planning

Prescribed fire is a vital tool for ecosystem management and wildfire risk reduction but its escalation is constrained by overly conservative burn windows because of uncertainties, for instance, in wind forecasts. This review describes the state of the art in weather product use by fire/smoke models and identifies three priority research gaps that artificial intelligence/machine learning (AI/ML) is well positioned to address: (1) spatial and temporal downscaling to meter-scale, sub-hourly wind fields; (2) bias correction for systematic model errors in complex terrain; and (3) robust uncertainty quantification to inform ensemble-based simulations. Emerging AI/ML techniques offer promising frameworks to address all three challenges. By providing high-resolution, bias-corrected, and probabilistic wind fields, AI/ML-enhanced forecasts will allow for expanded burn windows, improved ignition strategy design and a reduced reliance on expert intuition, especially when a prescribed fire is introduced into new areas.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2014

Integration of the Total Lightning Jump Algorithm into Current Operational Warning Environment Conceptual Models

The presence and rates of total lightning are both correlated to and physically dependent upon storm updraft strength, mixed phase precipitation volume and the size of the charging zone. The updraft modulates the ingredients necessary for electrification within a thunderstorm, while the updraft also plays a critical role in the development of severe and hazardous weather. Therefore utilizing this relationship, the monitoring of lightning rates and jumps provides an additional piece of information on the evolution of a thunderstorm, more often than not, at higher temporal resolution than current operational radar systems. This correlation is the basis for the total lightning jump algorithm that has been developed in recent years. Currently, the lightning jump algorithm is being tested in two separate but important efforts. Schultz et al. (2014; AMS 10th Satellite Symposium) is exploring the transition of the algorithm from its research based formulation to a fully objective algorithm that includes storm tracking, Geostationary Lightning Mapper (GLM) Proxy data and the lightning jump algorithm. Chronis et al. (2014; this conference) provides context for the transition to current operational forecasting using lightning mapping array based products. However, what remains is an end to end physical and dynamical basis for relating lightning rates to severe storm manifestation, so the forecaster has a reason beyond simple correlation to utilize the lightning jump algorithm within their severe storm conceptual models. Therefore, the physical basis for the lightning jump algorithm in relation to severe storm dynamics and microphysics is a key component that must be further explored. Many radar studies have examined flash rates and their relation to updraft strength, updraft volume, precipitation‐sized ice mass, etc.; however, relation specifically to lightning jumps is fragmented within the literature. Thus the goal of this study is to use multiple Doppler techniques to resolve the physical and dynamical storm characteristics specifically around the time of the lightning jump. This information will help forecasters anticipate lightning jump occurrence, or even be of use to determine future characteristics of a given storm (e.g., development of a mesocyclone, downdraft, or hail signature on radar), providing additional lead time/confidence in the severe storm warning paradigm.

Shultz, Christopher J.↗

NASA NTRS1978

IPS activity observed as a precursor of solar induced terrestrial activity

A radio telescope designed to exploit the interplanetary scintillation (IPS) technique and locate, map, and track solar wind disturbances which result in geomagnetic disturbances, thereby providing a forecast capability, is described. Preliminary results from operation of the telescope include: (1) evidence for a precursor signal in the IPS activity with a 1-2 day lead time with respect to density enhancements which frequently give rise to geomagnetic activity; (2) detection of a spectral broadening signature which also serves as a precursor of geomagnetic activity; (3) out-of-the-ecliptic plasma density enhancements which were not detected by near-Earth, ecliptic plane spacecraft; (4) detection of 12 corotating density enhancements;(5) detection of over 80 sources which give detectable scintillation of which 45 have been used for detailed synoptic analysis and 9 for spectral analysis; and (6) measurement of 0-lag coefficient of 0.56 between density and IPS activity enhancements.

Cronyn, W. M.↗

NASA NTRS1982

Comparative analysis of operational forecasts versus actual weather conditions in airline flight planning, volume 4

The impact of more timely and accurate weather data on airline flight planning with the emphasis on fuel savings is studied. This volume of the report discusses the results of Task 4 of the four major tasks included in the study. Task 4 uses flight plan segment wind and temperature differences as indicators of dates and geographic areas for which significant forecast errors may have occurred. An in-depth analysis is then conducted for the days identified. The analysis show that significant errors occur in the operational forecast on 15 of the 33 arbitrarily selected days included in the study. Wind speeds in an area of maximum winds are underestimated by at least 20 to 25 kts. on 14 of these days. The analysis also show that there is a tendency to repeat the same forecast errors from prog to prog. Also, some perceived forecast errors from the flight plan comparisons could not be verified by visual inspection of the corresponding National Meteorological Center forecast and analyses charts, and it is likely that they are the result of weather data interpolation techniques or some other data processing procedure in the airlines' flight planning systems.

Keitz, J. F.↗

NASA NTRS1991

Automatic analysis of stereoscopic satellite image pairs for determination of cloud-top height and structure

Results are presented on an automatic stereo analysis of cloud-top heights from nearly simultaneous satellite image pairs from the GOES and NOAA satellites, using a massively parallel processor computer. Comparisons of computer-derived height fields and manually analyzed fields show that the automatic analysis technique shows promise for performing routine stereo analysis in a real-time environment, providing a useful forecasting tool by augmenting observational data sets of severe thunderstorms and hurricanes. Simulations using synthetic stereo data show that it is possible to automatically resolve small-scale features such as 4000-m-diam clouds to about 1500 m in the vertical.

Hasler, A. F.↗

NASA NTRSDate not supplied

A New ML-Based Adaptive Thinning Methodology to Improve the Impact of AIRS and CrIS Assimilation on Global Tropical Cyclone Forecasts

This work builds on previous research performed by this team to improve the forecast of Tropical Cyclones (TCs) by assimilating AIRS and CrIS radiances into the NASA Global Earth Observing System (GEOS). Past published work demonstrated that the assimilation of radiances with variable density was beneficial to TC forecasting in the GEOS. In the previous setup, a fixed-size moving square named 'TC domain' was activated by the so-called TC-vitals, an international real-time message accessible to all NWP forecasting centers, that documents the existence of a TC, its estimated position, and its size. The information from TC-vitals activated a switch in the GEOS, which allowed to reduce the distance used for thinning AIRS and CrIS data inside a 15 degrees by 15 degrees moving TC domain centered on the storm, so that more data were assimilated in the vicinity of the TC during its lifetime. The methodology produced improved TC analyses and led to better forecasts, particularly related to intensity, without damaging the global forecast skill. In the new version, the adaptive thinning methodology is based on a machine-learning technique. The technique searches for TCs and creates TC masks by using cloud-top temperatures from all geostationary satellites without the need for additional information. It is being trained against the International Best Track Archive for Climate Stewardship (IBTrACS) data base. Once a TC mask is created, a switch identical to the one used in the previous adaptive thinning method is activated, allowing the GEOS to ingest more data in the TC-shaped size-changing domain that follows the storm. As of today, the team has been able to successfully assimilate data inside the ML-detected TC domains. Future work includes an improved capability of reducing false alarm rates (i.e., cloud systems that are erroneously labeled as TCs).

Oreste Reale↗