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810 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Complexity-calibrated benchmarks for machine learning reveal when prediction algorithms succeed and mislead

Abstract Recurrent neural networks are used to forecast time series in finance, climate, language, and from many other domains. Reservoir computers are a particularly easily trainable form of recurrent neural network. Recently, a “next-generation” reservoir computer was introduced in which the memory trace involves only a finite number of previous symbols. We explore the inherent limitations of finite-past memory traces in this intriguing proposal. A lower bound from Fano’s inequality shows that, on highly non-Markovian processes generated by large probabilistic state machines, next-generation reservoir computers with reasonably long memory traces have an error probability that is at least $$\sim 60\%$$ ∼ 60 % higher than the minimal attainable error probability in predicting the next observation. More generally, it appears that popular recurrent neural networks fall far short of optimally predicting such complex processes. These results highlight the need for a new generation of optimized recurrent neural network architectures. Alongside this finding, we present concentration-of-measure results for randomly-generated but complex processes. One conclusion is that large probabilistic state machines—specifically, large $$\epsilon$$ ϵ -machines—are key to generating challenging and structurally-unbiased stimuli for ground-truthing recurrent neural network architectures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Upstreamness and downstreamness in input–output analysis from local and aggregate information

Abstract Ranking sectors and countries within global value chains is of paramount importance to estimate risks and forecast growth in large economies. However, this task is often non-trivial due to the lack of complete and accurate information on the flows of money and goods between sectors and countries, which are encoded in input–output (I–O) tables. In this work, we show that an accurate estimation of the role played by sectors and countries in supply chain networks can be achieved without full knowledge of the I–O tables, but only relying on local and aggregate information, e.g., the total intermediate demand per sector. Our method, based on a rank-1 approximation to the I–O table, shows consistently good performance in reconstructing rankings (i.e., upstreamness and downstreamness measures for countries and sectors) when tested on empirical data from the world input–output database. Moreover, we connect the accuracy of our approximate framework with the spectral properties of the I–O tables, which ordinarily exhibit relatively large spectral gaps. Our approach provides a fast and analytically tractable framework to rank constituents of a complex economy without the need of matrix inversions and the knowledge of finer intersectorial details.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

Spaceborne Lidar Retrievals of PM2.5 for Air Quality Studies and Applications

Fine particulate matter (PM2.5) substantially contributes to air pollution and negatively affects human health. While many studies have investigated the use of passive column-integrated aerosol optical depth to infer surface PM2.5, the use of lidar observations for air quality characterization is not nearly as extensive. Lidar measurements are critical, however, due to the vertical aerosol information they provide, including near the surface. In this presentation, we first provide an overview of various lidar-based approaches for estimating PM2.5 concentrations and then discuss how lidar measurements can assist other air quality applications. For example, estimates of PM2.5 have been obtained in a physics-based approach through CALIOP near-surface aerosol extinction retrievals, assumptions on the mass extinction efficiency, and incorporating other parameters (an aerosol hygroscopic growth factor and PM2.5/PM10 ratio). Application of this algorithm over the contiguous United States (CONUS) from 2006 to 2018 yielded larger PM2.5 values over the eastern and western CONUS (~10-15 μg/m³) and lower PM2.5 levels in the central CONUS (~5 μg/m³). These spatial patterns were similar to those from gridded PM2.5 concentrations obtained through in situ measurements at ground stations operated by the US Environmental Protection Agency. In another approach, the Cloud Aerosol Transport System (CATS) lidar was used with the Goddard Earth Observing System (GEOS) model in a 1D ensemble-based variational technique to obtain PM2.5 over the US and Europe, and the spatial patterns of the CATS/GEOS based PM2.5 concentrations generally captured those from surface stations (with corresponding hourly EPA PM2.5 vs CATS PM2.5 statistics of R=0.4 and bias=1.5 μg/m³). In our recent work, as part of the Models, In situ, and Remote sensing of Aerosols (MIRA) Working Group, we have applied both the CALIOP and CATS/GEOS based approaches over the highly polluted country of India during the post-monsoon season (September-October 2016). We derived elevated levels of two-month mean PM2.5 (~100 μg/m³) in northern India, especially near New Delhi. These high PM2.5 concentrations in the Indo-Gangetic plain are driven in large part from the seasonal burning of crop residue and meteorological conditions typical at this time of the year, such as low wind speeds and a shallow boundary layer. While the satellite-derived PM2.5 moderately replicates (R = ~0.7-0.9) the spatial variability in the two-month mean of surface in situ PM2.5 from monitoring sites operated by the Central and State Pollution Control Boards, we show results from specific scenes for which there are large deviations between the satellite-derived PM2.5 and in situ measurements. Other current work on this topic focuses on developing PM2.5 estimates using airborne high spectral resolution lidar measurements through machine learning regression algorithms and involves several parameters (e.g., aerosol extinction, color ratio, lidar ratio). Application of this method over major metropolitan areas in the US and Asia have resulted in high correlations (R = 0.93) with surface measurements. This airborne lidar approach can be adapted to spaceborne lidar measurements, and all three of these approaches can be applied to ESA’s EarthCARE Atmospheric Lidar instrument, setting the stage for the future Cloud Aerosol Lidar for Global Scale Observations of the Ocean-Land Atmosphere System (CALIGOLA) mission. Ultimately, beyond estimates of PM2.5, the aerosol vertical distribution from lidars can benefit studies involving passive sensor approaches for PM2.5 proxies (including from geostationary satellites), wildfire smoke plume injection heights, volcanic emissions (e.g., ash height retrievals), and aerosol/air quality model assimilation, evaluation, and forecasts.

Travis D Toth↗
DOE OSTI2024

Using spatio-temporal graph neural networks to estimate fleet-wide photovoltaic performance degradation patterns

Accurate estimation of photovoltaic (PV) system performance is crucial for determining its feasibility as a power generation technology and financial asset. PV-based energy solutions offer a viable alternative to traditional energy resources due to their superior Levelized Cost of Energy (LCOE). A significant challenge in assessing the LCOE of PV systems lies in understanding the Performance Loss Rate (PLR) for large fleets of PV systems. Estimating the PLR of PV systems becomes increasingly important in the rapidly growing PV industry. Precise PLR estimation benefits PV users by providing real-time monitoring of PV module performance, while explainable PLR estimation assists PV manufacturers in studying and enhancing the performance of their products. However, traditional PLR estimation methods based on statistical models have notable drawbacks. Firstly, they require user knowledge and decision-making. Secondly, they fail to leverage spatial coherence for fleet-level analysis. Additionally, these methods inherently assume the linearity of degradation, which is not representative of real world degradation. To overcome these challenges, we propose a novel graph deep learning-based decomposition method called the Spatio-Temporal Graph Neural Network for fleet-level PLR estimation (PV-stGNN-PLR). PV-stGNN-PLR decomposes the power timeseries data into aging and fluctuation components, utilizing the aging component to estimate PLR. PV-stGNN-PLR exploits spatial and temporal coherence to derive PLR estimation for all systems in a fleet and imposes flatness and smoothness regularization in loss function to ensure the successful disentanglement between aging and fluctuation. We have evaluated PV-stGNN-PLR on three simulated PV datasets consisting of 100 inverters from 5 sites. Experimental results show that PV-stGNN-PLR obtains a reduction of 33.9% and 35.1% on average in Mean Absolute Percent Error (MAPE) and Euclidean Distance (ED) in PLR degradation pattern estimation compared to the state-of-the-art PLR estimation methods.

14 SOLAR ENERGY↗
DOE OSTI2022

Forecasting the potential of weak lensing magnification to enhance LSST large-scale structure analyses

ABSTRACT Recent works have shown that weak lensing magnification must be included in upcoming large-scale structure analyses, such as for the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST), to avoid biasing the cosmological results. In this work, we investigate whether including magnification has a positive impact on the precision of the cosmological constraints, as well as being necessary to avoid bias. We forecast this using an LSST mock catalogue and a halo model to calculate the galaxy power spectra. We find that including magnification has little effect on the precision of the cosmological parameter constraints for an LSST galaxy clustering analysis, where the halo model parameters are additionally constrained by the galaxy luminosity function. In particular, we find that for the LSST gold sample (i < 25.3) including weak lensing magnification only improves the galaxy clustering constraint on Ωm by a factor of 1.03, and when using a very deep LSST mock sample (i < 26.5) by a factor of 1.3. Since magnification predominantly contributes to the clustering measurement and provides similar information to that of cosmic shear, this improvement would be reduced for a combined galaxy clustering and shear analysis. We also confirm that not modelling weak lensing magnification will catastrophically bias the cosmological results from LSST. Magnification must therefore be included in LSST large-scale structure analyses even though it does not significantly enhance the precision of the cosmological constraints.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2019

Daily evaluation of 26 precipitation datasets using Stage-IV gauge-radar data for the CONUS

New precipitation (P) datasets are released regularly, following innovations in weather forecasting models, satellite retrieval methods, and multi-source merging techniques. Using the conterminous US as a case study, we evaluated the performance of 26 gridded (sub-)daily P datasets to obtain insight into the merit of these innovations. The evaluation was performed at a daily timescale for the period 2008–2017 using the Kling–Gupta efficiency (KGE), a performance metric combining correlation, bias, and variability. As a reference, we used the high-resolution (4 km) Stage-IV gauge-radar P dataset. Among the three KGE components, the P datasets performed worst overall in terms of correlation (related to event identification). In terms of improving KGE scores for these datasets, improved P totals (affecting the bias score) and improved distribution of P intensity (affecting the variability score) are of secondary importance. Among the 11 gauge-corrected P datasets, the best overall performance was obtained by MSWEP V2.2, underscoring the importance of applying daily gauge corrections and accounting for gauge reporting times. Several uncorrected P datasets outperformed gauge-corrected ones. Among the 15 uncorrected P datasets, the best performance was obtained by the ERA5-HRES fourth-generation reanalysis, reflecting the significant advances in earth system modeling during the last decade. The (re)analyses generally performed better in winter than in summer, while the opposite was the case for the satellite-based datasets. IMERGHH V05 performed substantially better than TMPA-3B42RT V7, attributable to the many improvements implemented in the IMERG satellite P retrieval algorithm. IMERGHH V05 outperformed ERA5-HRES in regions dominated by convective storms, while the opposite was observed in regions of complex terrain. The ERA5-EDA ensemble average exhibited higher correlations than the ERA5-HRES deterministic run, highlighting the value of ensemble modeling. The WRF regional convection-permitting climate model showed considerably more accurate P totals over the mountainous west and performed best among the uncorrected datasets in terms of variability, suggesting there is merit in using high-resolution models to obtain climatological P statistics. Our findings provide some guidance to choose the most suitable P dataset for a particular application.

Hylke E. Beck↗
DOE OSTI2023

First detection of the BAO signal from early DESI data

We present the first detection of the baryon acoustic oscillations (BAOs) signal obtained using unblinded data collected during the initial 2 months of operations of the Stage-IV ground-based Dark Energy Spectroscopic Instrument (DESI). From a selected sample of 261 291 luminous red galaxies spanning the redshift interval 0.4 < z < 1.1 and covering 1651 square degrees with a 57.9 per cent completeness level, we report a ∼5σ level BAO detection and the measurement of the BAO location at a precision of 1.7 per cent. Using a bright galaxy sample of 109 523 galaxies in the redshift range 0.1 < z < 0.5, over 3677 square degrees with a 50.0 per cent completeness, we also detect the BAO feature at ∼3σ significance with a 2.6 per cent precision. These first BAO measurements represent an important milestone, acting as a quality control on the optimal performance of the complex robotically actuated, fibre-fed DESI spectrograph, as well as an early validation of the DESI spectroscopic pipeline and data management system. Based on these first promising results, we forecast that DESI is on target to achieve a high-significance BAO detection at sub-per cent precision with the completed 5-yr survey data, meeting the top-level science requirements on BAO measurements. This exquisite level of precision will set new standards in cosmology and confirm DESI as the most competitive BAO experiment for the remainder of this decade.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2009

The Transition of High-Resolution NASA MODIS Sea Surface Temperatures into the WRF Environmental Modeling System

The NASA Short-term Prediction Research and Transition (SPoRT) Center has developed a Moderate Resolution Imaging Spectroradiometer (MODIS) sea surface temperature (SST) composite at 2-km resolution that has been implemented in version 3 of the National Weather Service (NWS) Weather Research and Forecasting (WRF) Environmental Modeling System (EMS). The WRF EMS is a complete, full physics numerical weather prediction package that incorporates dynamical cores from both the Advanced Research WRF (ARW) and the Non-hydrostatic Mesoscale Model (NMM). The installation, configuration, and execution of either the ARW or NMM models is greatly simplified by the WRF EMS to encourage its use by NWS Weather Forecast Offices (WFOs) and the university community. The WRF EMS is easy to run on most Linux workstations and clusters without the need for compilers. Version 3 of the WRF EMS contains the most recent public release of the WRF-NMM and ARW modeling system (version 3 of the ARW is described in Skamarock et al. 2008), the WRF Pre-processing System (WPS) utilities, and the WRF Post-Processing program. The system is developed and maintained by the NWS National Science Operations Officer Science and Training Resource Coordinator. To initialize the WRF EMS with high-resolution MODIS SSTs, SPoRT developed the composite product consisting of MODIS SSTs over oceans and large lakes with the NCEP Real-Time Global (RTG) filling data over land points. Filling the land points is required due to minor inconsistencies between the WRF land-sea mask and that used to generate the MODIS SST composites. This methodology ensures a continuous field that adequately initializes all appropriate arrays in WRF. MODIS composites covering the Gulf of Mexico, western Atlantic Ocean and the Caribbean are generated daily at 0400, 0700, 1600, and 1900 UTC corresponding to overpass times of the NASA Aqua and Terra polar orbiting satellites. The MODIS SST product is output in gridded binary-1 (GRIB-1) data format for a seamless incorporation into WRF via the WPS utilities. The full-resolution, 1-km MODIS product is sub-sampled to 2-km grid spacing due to limitations in handling very large dimensions in the GRIB-1 data format. The GRIB-1 files are posted online at ftp://ftp.nsstc.org/sstcomp/WRF/, which is directly accessed by the WRF EMS scripts. The MODIS SST composites are also downloaded to the EMS data server, which is accessible by the WRF EMS users and NWS WFOs. The SPoRT MODIS SST composite provides the model with superior detail of the ocean gradients around Florida and surrounding waters, whereas the operational RTG SST typically depicts a relatively smooth field and is not able to capture sharp horizontal gradients in SST. Differences of 2-3 C are common over small horizontal distances, leading to enhanced SST gradients on either side of the Gulf Stream and along the edges of the cooler shelf waters. These sharper gradients can in turn produce atmospheric responses in simulated temperature and wind fields as depicted in LaCasse et al. Differences in atmospheric verification statistics over a several month study were generally small in the vicinity of south Florida; however, the validation of SSTs at specific buoy locations revealed important improvements in the biases and RMS errors, especially in the vicinity of the cooler shelf waters off the east-central Florida coast. A current weakness in the MODIS SST product is the occurrence of occasional discontinuities caused by high latency in SST coverage due to persistent cloud cover. An enhanced method developed by Jedlovec et al. (2009, GHRSST User Symposium) reduces the occurrence of these problems by adding Advanced Microwave Scanning Radiometer -- EOS (AMSR-E) SST data to the compositing process. Enhanced SST composites are produced over the ocean regions surrounding the Continental U.S. at four times each day corresponding to Terra and Aqua equator crossing times. For a given day and overpass time, both MODInd AMSR-E data from the previous seven days form a collection used in the compositing. At each MODIS pixel, cloud-free SST values from the collection are used to form a weighted average based on their latency (number of days from the current day). In this way, recent SST data are given more weight than older data. One of the primary issues involved in incorporating the AMSR-E microwave data in the composites is the tradeoff between the decreased spatial resolution of the AMSR-E data (25 km) and the increased coverage due to its near all-weather capability. Currently, the AMSR-E is given a weight of 20% compared to MODIS data, thereby preserving the spatial structure observed in the MODIS data. Day-time (night-time) AMSR-E SST data from Aqua are used with both Terra and Aqua MODIS day-time (night-time) SST data sets.

Case, Jonathan L.↗
DOE OSTI2023

Predictive performance of multi-model ensemble forecasts of COVID-19 across European nations

Background: Short-term forecasts of infectious disease burden can contribute to situational awareness and aid capacity planning. Based on best practice in other fields and recent insights in infectious disease epidemiology, one can maximise the predictive performance of such forecasts if multiple models are combined into an ensemble. Here, we report on the performance of ensembles in predicting COVID-19 cases and deaths across Europe between 08 March 2021 and 07 March 2022. Methods: We used open-source tools to develop a public European COVID-19 Forecast Hub. We invited groups globally to contribute weekly forecasts for COVID-19 cases and deaths reported by a standardised source for 32 countries over the next 1–4 weeks. Teams submitted forecasts from March 2021 using standardised quantiles of the predictive distribution. Each week we created an ensemble forecast, where each predictive quantile was calculated as the equally-weighted average (initially the mean and then from 26th July the median) of all individual models’ predictive quantiles. We measured the performance of each model using the relative Weighted Interval Score (WIS), comparing models’ forecast accuracy relative to all other models. We retrospectively explored alternative methods for ensemble forecasts, including weighted averages based on models’ past predictive performance. Results: Over 52 weeks, we collected forecasts from 48 unique models. We evaluated 29 models’ forecast scores in comparison to the ensemble model. We found a weekly ensemble had a consistently strong performance across countries over time. Across all horizons and locations, the ensemble performed better on relative WIS than 83% of participating models’ forecasts of incident cases (with a total N=886 predictions from 23 unique models), and 91% of participating models’ forecasts of deaths (N=763 predictions from 20 models). Across a 1–4 week time horizon, ensemble performance declined with longer forecast periods when forecasting cases, but remained stable over 4 weeks for incident death forecasts. In every forecast across 32 countries, the ensemble outperformed most contributing models when forecasting either cases or deaths, frequently outperforming all of its individual component models. Among several choices of ensemble methods we found that the most influential and best choice was to use a median average of models instead of using the mean, regardless of methods of weighting component forecast models. Conclusions: Our results support the use of combining forecasts from individual models into an ensemble in order to improve predictive performance across epidemiological targets and populations during infectious disease epidemics. Our findings further suggest that median ensemble methods yield better predictive performance more than ones based on means. Our findings also highlight that forecast consumers should place more weight on incident death forecasts than incident case forecasts at forecast horizons greater than 2 weeks. Funding: AA, BH, BL, LWa, MMa, PP, SV funded by National Institutes of Health (NIH) Grant 1R01GM109718, NSF BIG DATA Grant IIS-1633028, NSF Grant No.: OAC-1916805, NSF Expeditions in Computing Grant CCF-1918656, CCF-1917819, NSF RAPID CNS-2028004, NSF RAPID OAC-2027541, US Centers for Disease Control and Prevention 75D30119C05935, a grant from Google, University of Virginia Strategic Investment Fund award number SIF160, Defense Threat Reduction Agency (DTRA) under Contract No. HDTRA1-19-D-0007, and respectively Virginia Dept of Health Grant VDH-21-501-0141, VDH-21-501-0143, VDH-21-501-0147, VDH-21-501-0145, VDH-21-501-0146, VDH-21-501-0142, VDH-21-501-0148. AF, AMa, GL funded by SMIGE - Modelli statistici inferenziali per governare l'epidemia, FISR 2020-Covid-19 I Fase, FISR2020IP-00156, Codice Progetto: PRJ-0695. AM, BK, FD, FR, JK, JN, JZ, KN, MG, MR, MS, RB funded by Ministry of Science and Higher Education of Poland with grant 28/WFSN/2021 to the University of Warsaw. BRe, CPe, JLAz funded by Ministerio de Sanidad/ISCIII. BT, PG funded by PERISCOPE European H2020 project, contract number 101016233. CP, DL, EA, MC, SA funded by European Commission - Directorate-General for Communications Networks, Content and Technology through the contract LC-01485746, and Ministerio de Ciencia, Innovacion y Universidades and FEDER, with the project PGC2018-095456-B-I00. DE., MGu funded by Spanish Ministry of Health / REACT-UE (FEDER). DO, GF, IMi, LC funded by Laboratory Directed Research and Development program of Los Alamos National Laboratory (LANL) under project number 20200700ER. DS, ELR, GG, NGR, NW, YW funded by National Institutes of General Medical Sciences (R35GM119582; the content is solely the responsibility of the authors and does not necessarily represent the official views of NIGMS or the National Institutes of Health). FB, FP funded by InPresa, Lombardy Region, Italy. HG, KS funded by European Centre for Disease Prevention and Control. IV funded by Agencia de Qualitat i Avaluacio Sanitaries de Catalunya (AQuAS) through contract 2021-021OE. JDe, SMo, VP funded by Netzwerk Universitatsmedizin (NUM) project egePan (01KX2021). JPB, SH, TH funded by Federal Ministry of Education and Research (BMBF; grant 05M18SIA). KH, MSc, YKh funded by Project SaxoCOV, funded by the German Free State of Saxony. Presentation of data, model results and simulations also funded by the NFDI4Health Task Force COVID-19 ( https://www.nfdi4health.de/task-force-covid-19-2 ) within the framework of a DFG-project (LO-342/17-1). LP, VE funded by Mathematical and Statistical modelling project (MUNI/A/1615/2020), Online platform for real-time monitoring, analysis and management of epidemic situations (MUNI/11/02202001/2020); VE also supported by RECETOX research infrastructure (Ministry of Education, Youth and Sports of the Czech Republic: LM2018121), the CETOCOEN EXCELLENCE (CZ.02.1.01/0.0/0.0/17-043/0009632), RECETOX RI project (CZ.02.1.01/0.0/0.0/16-013/0001761). NIB funded by Health Protection Research Unit (grant code NIHR200908). SAb, SF funded by Wellcome Trust (210758/Z/18/Z).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Assessment of software methods for estimating protein-protein relative binding affinities

A growing number of computational tools have been developed to accurately and rapidly predict the impact of amino acid mutations on protein-protein relative binding affinities. Such tools have many applications, for example, designing new drugs and studying evolutionary mechanisms. In the search for accuracy, many of these methods employ expensive yet rigorous molecular dynamics simulations. By contrast, non-rigorous methods use less exhaustive statistical mechanics, allowing for more efficient calculations. However, it is unclear if such methods retain enough accuracy to replace rigorous methods in binding affinity calculations. This trade-off between accuracy and computational expense makes it difficult to determine the best method for a particular system or study. Here, eight non-rigorous computational methods were assessed using eight antibody-antigen and eight non-antibody-antigen complexes for their ability to accurately predict relative binding affinities (ΔΔG) for 654 single mutations. In addition to assessing accuracy, we analyzed the CPU cost and performance for each method using a variety of physico-chemical structural features. This allowed us to posit scenarios in which each method may be best utilized. Most methods performed worse when applied to antibody-antigen complexes compared to non-antibody-antigen complexes. Rosetta-based JayZ and EasyE methods classified mutations as destabilizing (ΔΔG < -0.5 kcal/mol) with high (83–98%) accuracy and a relatively low computational cost for non-antibody-antigen complexes. Some of the most accurate results for antibody-antigen systems came from combining molecular dynamics with FoldX with a correlation coefficient (r) of 0.46, but this was also the most computationally expensive method. Overall, our results suggest these methods can be used to quickly and accurately predict stabilizing versus destabilizing mutations but are less accurate at predicting actual binding affinities. This study highlights the need for continued development of reliable, accessible, and reproducible methods for predicting binding affinities in antibody-antigen proteins and provides a recipe for using current methods.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Mountain Basin Controls on the Snow-to-Streamflow Signal: An AIC-Weighted Multiple Linear Regression Framework

A regression-based analysis quantifies how basin characteristics modulate the snow-to-streamflow signal. First, we use the ERA5-Land reanalysis gridded product (European Centre for Medium Range Weather Forecasts reanalysis 5 -Land component) for 4,655 hydrologic unit code - 10 (HUC10) mountain basins across the western United States (US) for water years 1987–2024. Linear regressions are performed for peak snow water equivalent (SWE) and annual streamflow for each mountain basin. Models use ordinary least squares in Python’s statsmodels package. After which, an Akaike Information Criterion (AIC)–weighted ensemble multiple linear regression (MLR) framework with 47 watershed traits is used to predict the linear regression coefficient of determination (r-squared) defining the ability of peak SWE to predict annual streamflow across all mountain basin. Predictor sets are constrained to avoid multicollinearity by excluding models with variance inflation factors (VIF) greater than 5. Mountain basin traits included in the MLR include seasonal climate, topography, vegetation type and structure, and bedrock geology. Accepted models are considered if their AIC is within 2.0 of the model with the minimum AIC, or best model. To compare predictor influence across acceptable models, we computed standardized regression coefficients. To evaluate structural redundancy among models, we constructed binary inclusion vectors for each acceptable model, denoting whether a predictor was present (1) or absent (0). Core predictor variables are defined as occurring in at least 67% of the acceptable models. For this regional analysis, only one model was found acceptable, with higher snow-to-streamflow translation (higher r-squared) occurring in colder mountain basins with higher relative winter precipitation, more snow accumulation and a lower fraction of annual precipitation that falls in the spring and summer. The second component of the data package uses previously published, high-resolution output from an integrated hydrological model of the East River watershed using the U.S. Geological Survey Groundwater and Surface water Flow model (GSFLOW, doi:10.15485/1998576). East River MLR expands upon the approach described above to explore the response of five streamflow metrics—annual streamflow, runoff efficiency, 7-day minimum flow, low-flow duration, and non-perennial stream fraction to snow system indicators including peak SWE, snow-covered area, snow disappearance date, and the fraction of basin area characterized by low-to-no snow, as well as seasonal precipitation and temperature, and annual hydrologic variables representing soil moisture, evapotranspiration (ET), the partitioning of incoming precipitation to evapotranspiration (ET/P), groundwater storage, and groundwater inflow to streams. MLR was done on all water years (P0: 1987-2024) and for each period as determined in the split analysis using pooled regression techniques (P1: 1987-2011 and P2: 2012-2024) to evaluate shifting predictor variable emphasis on streamflow generation. Results indicate that since 2012, peak SWE has lost statistical strength in its prediction of annual streamflow and runoff efficiency, and the indirect influence of spring temperature has emerged as critically important. Low-flow metrics remain largely influenced by soil moisture, vegetation water use and groundwater inflows with summer precipitation becoming a direct influence on minimum summer flow. Together, these data and Python-based analysis tools provide a framework for identifying the key watershed characteristics that control how streamflow responds to snow from year to year. The package also helps quantify uncertainty in statistical models and assess how snow–streamflow relationships vary across regions and over time. This dataset contains comma-separated values files (.csv), text files (.txt), python code files (.py), figure files (.png), and shapefiles (.cpg, .dbf, .prj, .sbn, .sbx, .shp, .xml). Further details on file contents and MLR execution can be found in the readme file and the FLMD files. Work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Are light curve classification metrics good proxies for SN Ia cosmological constraining power?

Context. When selecting a light curve classifier for use as part of a photometric supernova Ia (SN Ia) cosmological analysis, it is common to make decisions based on metrics of classification performance, such as the contamination within the photometrically classified SN Ia sample, rather than a measure of cosmological constraining power. If the former is an appropriate proxy for the latter, this practice would eliminate the computational expense of a full cosmology forecast in the analysis pipeline design process. Aims. This study tests the assumption that light curve classification metrics are an appropriate proxy for cosmology metrics. Methods. We emulated photometric SN Ia cosmology light curve samples with controlled contamination rates of individual contaminant classes and evaluated each of them under a set of classification metrics. We then derived cosmological parameter constraints from all samples under two common analysis approaches and quantified the impact of contamination by each contaminant class on the resulting cosmological parameter estimates. Results. We observe that cosmology metrics are sensitive to both the contamination rate and the class of the contaminating population, whereas the classification metrics are shown to be insensitive to the latter. Conclusions. Based on these findings, we discourage any exclusive reliance on light curve classification-based metrics for analysis design decisions, which (counterintuitively) include but are not limited to the classifier choice. Instead, we recommend optimising science analysis pipeline design choices using a metric of the information gained about the physical parameters of interest.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A pre-registered short-term forecasting study of COVID-19 in Germany and Poland during the second wave

Disease modelling has had considerable policy impact during the ongoing COVID-19 pandemic, and it is increasingly acknowledged that combining multiple models can improve the reliability of outputs. Here we report insights from ten weeks of collaborative short-term forecasting of COVID-19 in Germany and Poland (12 October–19 December 2020). The study period covers the onset of the second wave in both countries, with tightening non-pharmaceutical interventions (NPIs) and subsequently a decay (Poland) or plateau and renewed increase (Germany) in reported cases. Thirteen independent teams provided probabilistic real-time forecasts of COVID-19 cases and deaths. These were reported for lead times of one to four weeks, with evaluation focused on one- and two-week horizons, which are less affected by changing NPIs. Heterogeneity between forecasts was considerable both in terms of point predictions and forecast spread. Ensemble forecasts showed good relative performance, in particular in terms of coverage, but did not clearly dominate single-model predictions. The study was preregistered and will be followed up in future phases of the pandemic.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

The miniJPAS survey: White dwarf science with 56 optical filters

We analyze the white dwarf population in miniJPAS, the first square degree observed with 56 medium-band, 145 Å in width optical filters by the Javalambre Physics of the accelerating Universe Astrophysical Survey (J-PAS), to provide a data-based forecast for the white dwarf science with low-resolution ($R$ ~ 50) photo-spectra. We define the sample of the bluest point-like sources in miniJPAS with $r$ < 21.5 mag, a point-like probability larger than 0.5, ($u$ - $r$)< 0.80 mag, and ($g$ - $i$)< 0.25 mag. This sample comprises 33 sources with spectroscopic information: 11 white dwarfs and 22 quasi-stellar objects (QSOs). We estimate the effective temperature ($T$ eff ), the surface gravity, and the composition of the white dwarf population by a Bayesian fitting to the observed photo-spectra. The miniJPAS data are sensitive to the Balmer series and the presence of polluting metals. Our results, combined with those from the Javalambre Photometric Local Universe Survey (J-PLUS) which has a lower spectral resolution but has already observed thousands of white dwarfs, suggest that J-PAS photometry would permit – down to $r$ ~ 21.5 mag and at least for sources with 7000 < $T$ eff < 22 000 K – both the classification of the observed white dwarfs into H-dominated and He-dominated with 99% confidence and the detection of calcium absorption for equivalent widths larger than 15 Å. The effective temperature is estimated with a 2% uncertainty, which is close to the 1% from spectroscopy. A precise estimation of the surface gravity depends on the available parallax information. In addition, the white dwarf population at $T$ eff > 7000 K can be segregated from the bluest extragalactic QSOs, providing a clean sample based on optical photometry alone. The J-PAS low-resolution photo-spectra would produce precise effective temperatures and atmospheric compositions for white dwarfs, complementing the data from Gaia. J-PAS will also detect and characterize new white dwarfs beyond the Gaia magnitude limit, providing faint candidates for spectroscopic follow-up.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Global teleconnections influencing large-scale drought in the United States using SVDI

Understanding recent large-scale drought patterns and the mechanisms producing extreme drought events is vital for future drought forecasts and understanding future drought risks. Increasingly, vapor pressure deficit (VPD) has been used as an important measure of evaporative demand and proxy for drought detection. In this study, VPD is used to calculate the new Standardized VPD Drought Index (SVDI) with NASA North American Land Data Assimilation System (NLDAS) data. Previous studies have shown that SVDI accurately identifies the timing and magnitude short-term droughts in the United States (U.S). In the present study, SVDI is now used to identify large-scale drought patterns between 1980 and 2021 and drought variability driven by selected global teleconnections originating in the Pacific and Atlantic Oceans. Spatial drought characteristics were extracted from SVDI using empirical orthogonal function (EOF) analysis. Then a k-means clustering algorithm was applied to both EOF principal components and primary teleconnections, including the El Nino-Southern Oscillation (ENSO) and Pacific Decadal Oscillation (PDO) to identify drought events driven by the Pacific Ocean. Results show that the SVDI is useful in evaluating large-scale drought variability in the U.S. related to global teleconnections, and that mechanisms influencing summer drought patterns in the Western and Southwestern U.S. are driven by a tropical-extratropical interactions originating in the equatorial Pacific Ocean related to ENSO dynamics with interdecadal variability modulated by PDO. The large-scale droughts in the Central and Southern U.S., like those in 2011 and 2012, on the other hand, are driven by the North Pacific Ocean warm pool during a strong negative PDO, which subsequently influenced variability in the Bermuda-Azores High in the Atlantic Ocean. In summer 2011, the Bermuda-Azores High weakened, reducing the onshore winds and moisture transport along the eastern Gulf of Mexico and contributing to ongoing drought in the region. The Northern Pacific and Atlantic Ocean sea surface temperatures (SSTs) have increased between 1980 and 2021. In conclusion, as SSTs continue to rise in the Northern Pacific Ocean, one consequence of the coupled North Pacific warm pool and atmospheric dynamics, is to increase summer drought variability over a large region in the southern and midwestern U.S. under global warming.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2007

Potential of VIIRS Time Series Data for Aiding the USDA Forest Service Early Warning System for Forest Health Threats: A Gypsy Moth Defoliation Case Study

This report details one of three experiments performed during FY 2007 for the NASA RPC (Rapid Prototyping Capability) at Stennis Space Center. This RPC experiment assesses the potential of VIIRS (Visible/Infrared Imager/Radiometer Suite) and MODIS (Moderate Resolution Imaging Spectroradiometer) data for detecting and monitoring forest defoliation from the non-native Eurasian gypsy moth (Lymantria dispar). The intent of the RPC experiment was to assess the degree to which VIIRS data can provide forest disturbance monitoring information as an input to a forest threat EWS (Early Warning System) as compared to the level of information that can be obtained from MODIS data. The USDA Forest Service (USFS) plans to use MODIS products for generating broad-scaled, regional monitoring products as input to an EWS for forest health threat assessment. NASA SSC is helping the USFS to evaluate and integrate currently available satellite remote sensing technologies and data products for the EWS, including the use of MODIS products for regional monitoring of forest disturbance. Gypsy moth defoliation of the mid-Appalachian highland region was selected as a case study. Gypsy moth is one of eight major forest insect threats listed in the Healthy Forest Restoration Act (HFRA) of 2003; the gypsy moth threatens eastern U.S. hardwood forests, which are also a concern highlighted in the HFRA of 2003. This region was selected for the project because extensive gypsy moth defoliation occurred there over multiple years during the MODIS operational period. This RPC experiment is relevant to several nationally important mapping applications, including agricultural efficiency, coastal management, ecological forecasting, disaster management, and carbon management. In this experiment, MODIS data and VIIRS data simulated from MODIS were assessed for their ability to contribute broad, regional geospatial information on gypsy moth defoliation. Landsat and ASTER (Advanced Spaceborne Thermal Emission and Reflection Radiometer) data were used to assess the quality of gypsy moth defoliation mapping products derived from MODIS data and from simulated VIIRS data. The project focused on use of data from MODIS Terra as opposed to MODIS Aqua mainly because only MODIS Terra data was collected during 2000 and 2001-years with comparatively high amounts of gypsy moth defoliation within the study area. The project assessed the quality of VIIRS data simulation products. Hyperion data was employed to assess the quality of MODIS-based VIIRS simulation datasets using image correlation analysis techniques. The ART (Application Research Toolbox) software was used for data simulation. Correlation analysis between MODIS-simulated VIIRS data and Hyperion-simulated VIIRS data for red, NIR (near-infrared), and NDVI (Normalized Difference Vegetation Index) image data products collectively indicate that useful, effective VIIRS simulations can be produced using Hyperion and MODIS data sources. The r(exp 2) for red, NIR, and NDVI products were 0.56, 0.63, and 0.62, respectively, indicating a moderately high correlation between the 2 data sources. Temporal decorrelation from different data acquisition times and image misregistration may have lowered correlation results. The RPC experiment also generated MODIS-based time series data products using the TSPT (Time Series Product Tool) software. Time series of simulated VIIRS NDVI products were produced at approximately 400-meter resolution GSD (Ground Sampling Distance) at nadir for comparison to MODIS NDVI products at either 250- or 500-meter GSD. The project also computed MODIS (MOD02) NDMI (Normalized Difference Moisture Index) products at 500-meter GSD for comparison to NDVI-based products. For each year during 2000-2006, MODIS and VIIRS (simulated from MOD02) time series were computed during the peak gypsy moth defoliation time frame in the study area (approximately June 10 through July 27). Gypsy moth defoliation mapping products from simated VIIRS and MOD02 time series were produced using multiple methods, including image classification and change detection via image differencing. The latter enabled an automated defoliation detection product computed using percent change in maximum NDVI for a peak defoliation period during 2001 compared to maximum NDVI across the entire 2000-2006 time frame. Final gypsy moth defoliation mapping products were assessed for accuracy using randomly sampled locations found on available geospatial reference data (Landsat and ASTER data in conjunction with defoliation map data from the USFS). Extensive gypsy moth defoliation patches were evident on screen displays of multitemporal color composites derived from MODIS data and from simulated VIIRS vegetation index data. Such defoliation was particularly evident for 2001, although widespread denuded forests were also seen for 2000 and 2003. These visualizations were validated using aforementioned reference data. Defoliation patches were visible on displays of MODIS-based NDVI and NDMI data. The viewing of apparent defoliation patches on all of these products necessitated adoption of a specialized temporal data processing method (e.g., maximum NDVI during the peak defoliation time frame). The frequency of cloud cover necessitated this approach. Multitemporal simulated VIIRS and MODIS Terra data both produced effective general classifications of defoliated forest versus other land cover. For 2001, the MOD02-simulated VIIRS 400-meter NDVI classification produced a similar yet slightly lower overall accuracy (87.28 percent with 0.72 Kappa) than the MOD02 250-meter NDVI classification (88.44 percent with 0.75 Kappa). The MOD13 250-meter NDVI classification had a lower overall accuracy (79.13 percent) and a much lower Kappa (0.46). The report discusses accuracy assessment results in much more detail, comparing overall classification and individual class accuracy statistics for simulated VIIRS 400-meter NDVI, MOD02 250-meter NDVI, MOD02-500 meter NDVI, MOD13 250-meter NDVI, and MOD02 500-meter NDMI classifications. Automated defoliation detection products from simulated VIIRS and MOD02 data for 2001 also yielded similar, relatively high overall classification accuracy (85.55 percent for the VIIRS 400-meter NDVI versus 87.28 percent for the MOD02 250-meter NDVI). In contrast, the USFS aerial sketch map of gypsy moth defoliation showed a lower overall classification accuracy at 73.64 percent. The overall classification Kappa values were also similar for the VIIRS (approximately 0.67 Kappa) versus the MOD02 (approximately 0.72 Kappa) automated defoliation detection product, which were much higher than the values exhibited by the USFS sketch map product (overall Kappa of approximately 0.47). The report provides additional details on the accuracy of automated gypsy moth defoliation detection products compared with USFS sketch maps. The results suggest that VIIRS data can be effectively simulated from MODIS data and that VIIRS data will produce gypsy moth defoliation mapping products that are similar to MODIS-based products. The results of the RPC experiment indicate that VIIRS and MODIS data products have good potential for integration into the forest threat EWS. The accuracy assessment was performed only for 2001 because of time constraints and a relative scarcity of cloud-free Landsat and ASTER data for the peak defoliation period of the other years in the 2000-2006 time series. Additional work should be performed to assess the accuracy of gypsy moth defoliation detection products for additional years.The study area (mid-Appalachian highlands) and application (gypsy moth forest defoliation) are not necessarily representative of all forested regions and of all forest threat disturbance agents. Additional work should be performed on other inland and coastal regions as well as for other major forest threats.

Spruce, Joseph P.↗
NASA NTRS2001

Combining New Satellite Tools and Models to Examine Role of Mesoscale Interactions in Formation and Intensification of Tropical Cyclones

The objective of this research is to start filling the mesoscale gap to improve understanding and probability forecasts of formation and intensity variations of tropical cyclones. Sampling by aircraft equipped to measure mesoscale processes is expensive, thus confined in place and time. Hence we turn to satellite products. This paper reports preliminary results of a tropical cyclone genesis and early intensification study. We explore the role of mesoscale processes using a combination of products from TRMM, QuikSCAT, AMSU, also SSM/I, geosynchronous and model output. Major emphasis is on the role of merging mesoscale vortices. These initially form in midlevel stratiform cloud. When they form in regions of lowered Rossby radius of deformation (strong background vorticity) the mesoscale vortices can last long enough to interact and merge, with the weaker vortex losing vorticity to the stronger, which can then extend down to the surface. In an earlier cyclongenesis case (Oliver 1993) off Australia, intense deep convection occurred when the stronger vortex reached the surface; this vortex became the storm center while the weaker vortex was sheared out as the major rainband. In our study of Atlantic tropical cyclones originating from African waves, we use QuikSCAT to examine surface winds in the African monsoon trough and in the vortices which move westward off the coast, which may or may not undergo genesis (defined by NHC as reaching TD, or tropical depression, with a west wind to the south of the surface low). We use AMSU mainly to examine development of warm cores. TRMM passive microwave TMI is used with SSM/I to look at the rain structure, which often indicates eye formation, and to look at the ice scattering signatures of deep convection. The TRMM precipitation radar, PR, when available, gives precipitation cross sections. So far we have detailed studies of two African-origin cyclones, one which became severe hurricane Floyd 1999, and the other reached TD2 in June 2000 and then died out. The atmosphere off West African is dry and stable. It becomes less so between June and September, as the SST and convection heat up. QuikSCAT shows the African monsoon trough and shear zone extend westward over the ocean to nearly 30 degrees West. The evidence is strong that the two cyclones had in common multiple midlevel mergers, which extended to the surface keeping the surface vortex strong. These continued until both systems were designated TD's by NHC. In the June 2000 case, the main reason for failure was the lower SST and dry, stable atmosphere. This is shown by the comparison of the equivalent potential temperature maps and profiles with those from pre-Floyd. In the vortex which became Floyd, QuikSCAT shows continuous importation of high theta e (warm, moist) air from the south. From September 2-8, this air flowed around the vortex center, building up a high theta-e pool to the north. Then late on September 9, a 100-km wide jet of high theta-e air penetrated the vortex core, a major convective burst' was observed, and an intensifying, more elevated warm core was seen on AMSU. Rapid pressure fall and wind intensification were underway by 0000 UTC on September 10. Floyd became a Hurricane at 1200 UTC on Sept 10, 1999, with successive convective bursts running the hurricane thermodynamic engine by intensifying the warm core. TD2 was a strong African vortex, sustained by moderate convection (up to about 12.5 km) offshore of Africa. It peaked on June 23, showing an apparent "eye" on passive microwave composites. However, it could not assemble the ingredients for a convective burst. Thus it failed to get the thermodynamic hurricane engine going before it moved too far west of the region of lowered Rossby radius. By June 26, cloud systems were dying out. On June 25, a surface vortex was no longer seen on QuikSCAT, although one continued above the surface on model profiles until June 27. One of our main findings so far is showing the role of the mesoscale vortex interactions in sustaining some African vortices far out in to the mid Atlantic, where under adequate thermal/moisture conditions the hurricane heat engine can sometimes be started. We are working on similar studies of Cindy and Irene 1999. Cindy illustrates a case of wind shear working against an early-stage hurricane heat engine, while Irene formed from a Caribbean wave. An enormous value of combinations of satellite tools is that tropical cyclones can be studied in all parts of the global oceans where they occur. Detailed studies like ours are labor intensive but many statistical studies can be based on physical postulates developed. There are other new tools such as MODIS on TERRA of the Earth Observing System (EOS) which can be used to study the microphysics of tropical cyclones world wide, in particular to investigate the presence of mixed phase and the impact of atmospheric aerosols on the hydrometeor structure and rainfall from tropical cyclones.

Simpson, Joanne↗
NASA NTRS1998

A Conceptual Approach to Assimilating Remote Sensing Data to Improve Soil Moisture Profile Estimates in a Surface Flux/Hydrology Model: Overview - Part 1

Knowledge of the amount of water in the soil is of great importance to many earth science disciplines. Soil moisture is a key variable in controlling the exchange of water and energy between the land surface and the atmosphere. Thus, soil moisture information is valuable in a wide range of applications including weather and climate, runoff potential and flood control, early warning of droughts, irrigation, crop yield forecasting, soil erosion, reservoir management, geotechnical engineering, and water quality. Despite the importance of soil moisture information, widespread and continuous measurements of soil moisture are not possible today. Although many earth surface conditions can be measured from satellites, we still cannot adequately measure soil moisture from space. Research in soil moisture remote sensing began in the mid 1970s shortly after the surge in satellite development. Recent advances in remote sensing have shown that soil moisture can be measured, at least qualitatively, by several methods. Quantitative measurements of moisture in the soil surface layer have been most successful using both passive and active microwave remote sensing, although complications arise from surface roughness and vegetation type and density. Early attempts to measure soil moisture from space-borne microwave instruments were hindered by what is now considered sub-optimal wavelengths (shorter than 5 cm) and the coarse spatial resolution of the measurements. L-band frequencies between 1 and 3 GHz (10-30 cm) have been deemed optimal for detection of soil moisture in the upper few centimeters of soil. The Electronically Steered Thinned Array Radiometer (ESTAR), an aircraft-based instrument operating a 1,4 GHz, has shown great promise for soil moisture determination. Initiatives are underway to develop a similar instrument for space. Existing space-borne synthetic aperture radars (SARS) operating at C- and L-band have also shown some potential to detect surface wetness. The advantage of radar is its much higher resolution than passive microwave systems, but it is currently hampered by surface roughness effects and the lack of a good algorithm based on a single frequency and single polarization. In addition, its repeat frequency is generally low (about 40 days). In the meantime, two new radiometers offer some hope for remote sensing of soil moisture from space. The Tropical Rainfall Measuring Mission (TRMM) Microwave Imager (TMI), launched in November 1997, possesses a 10.65 GHz channel and the Advanced Microwave Scanning Radiometer (AMSR) on both the ADEOS-11 and Earth Observing System AM-1 platforms to be launched in 1999 possesses a 6.9 GHz channel. Aside from issues about interference from vegetation, the coarse resolution of these data will provide considerable challenges pertaining to their application. The resolution of TMI is about 45 km and that of AMSR is about 70 km. These resolutions are grossly inconsistent with the scale of soil moisture processes and the spatial variability of factors that control soil moisture. Scale disparities such as these are forcing us to rethink how we assimilate data of various scales in hydrologic models. Of particular interest is how to assimilate soil moisture data by reconciling the scale disparity between what we can expect from present and future remote sensing measurements of soil moisture and modeling soil moisture processes. It is because of this disparity between the resolution of space-based sensors and the scale of data needed for capturing the spatial variability of soil moisture and related properties that remote sensing of soil moisture has not met with more widespread success. Within a single footprint of current sensors at the wavelengths optimal for this application, in most cases there is enormous heterogeneity in soil moisture created by differences in landcover, soils and topography, as well as variability in antecedent precipitation. It is difficult to interpret the meaning of 'mean' soil moisture under such conditions and even more difficult to apply such a value. Because of the non-linear relationships between near-surface soil moisture and other variables of interest, such as surface energy fluxes and runoff, mean soil moisture has little applicability at such large scales. It is for these reasons that the use of remote sensing in conjunction with a hydrologic model appears to be of benefit in capturing the complete spatial and temporal structure of soil moisture. This paper is Part I of a four-part series describing a method for intermittently assimilating remotely-sensed soil moisture information to improve performance of a distributed land surface hydrology model. The method, summarized in section II, involves the following components, each of which is detailed in the indicated section of the paper or subsequent papers in this series: Forward radiative transfer model methods (section II and Part IV); Use of a Kalman filter to assimilate remotely-sensed soil moisture estimates with the model profile (section II and Part IV); Application of a soil hydrology model to capture the continuous evolution of the soil moisture profile within and below the root zone (section III); Statistical aggregation techniques (section IV and Part II); Disaggregation techniques using a neural network approach (section IV and Part III); and Maximum likelihood and Bayesian algorithms for inversely solving for the soil moisture profile in the upper few cm (Part IV).

Crosson, William L.↗