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DOE OSTI2024

HAPPA: A Modular Platform for HPC Application Resilience Analysis with LLMs Embedded

High-performance computing (HPC) systems are increasingly vulnerable to soft errors, which pose significant challenges in maintaining computational accuracy and reliability. Predicting the resilience of HPC applications to these errors is crucial for robust code protection and detailed resilience analysis. In this study, we present HAppA, a modular platform designed for HPC Application Resilience Analysis. Embedding Large Language Models (LLMs), HAppA addresses understanding the context information of long code sequences typical in HPC applications. HAppA implements a novel code representation module that chunks the code into fixed-size segments and aggregates the embeddings of these segments. Three aggregation methods have been explored: MeanPooling, MaxPooling, and LSTM-based techniques. We built a DAtaset for REsilience analysis using Fault Injection (FI), named DARE. Using our DARE dataset, HAppA is trained for regression prediction tasks. Our evaluation results demonstrate the predictive accuracy of HAppA compared to other models, particularly noting that the LSTM-based aggregation method -- HAppA-LSTM -- achieves a mean squared error (MSE) of 0.078 for SDC prediction, surpassing the existing state-of-the-art PARIS model, which recorded an MSE of 0.1172. Additionally, HAppA with the KeyBERT model extracts a list of keywords representing the source code. A comprehensive importance analysis of these keywords further elucidates the code patterns contributing to the error rate. These findings highlight the effectiveness of HAppA in analyzing the resilience of HPC applications and establish a new benchmark for predictive accuracy in resilience.

Jiang, Hailong [Kent State University]↗

DOE OSTI2023

A single-tree algorithm to compute the Euclidean minimum spanning tree on GPUs

Computing the Euclidean minimum spanning tree (Emst) is a computationally demanding step of many algorithms. While work-efficient serial and multithreaded algorithms for computing Emst are known, designing an efficient GPU algorithm is challenging due to a complex branching structure, data dependencies, and load imbalances. In this paper, we propose a single-tree $Bor\mathring{u}vka$-based algorithm for computing Emst on GPUs. We use an efficient nearest neighbor algorithm and reduce the number of the required distance calculations by avoiding traversing subtrees with leaf nodes in the same component. The developed algorithms are implemented in a performance portable way using ArborX, an open-source geometric search library based on the Kokkos framework. We evaluate the proposed algorithm on various 2D and 3D datasets, show and compare it with the current state-of-the-art open-source CPU implementations. We demonstrate 4-24 × speedup over the fastest multi-threaded implementation. We prove the portability of our implementation by providing results on a variety of hardware: AMD EPYC 7763, Nvidia A100 and AMD MI250X. We show scalability of the implementation, computing Emst for 37 million 3D cosmological dataset in under a 0.5 second on a single A100 Nvidia GPU.

Prokopenko, Andrey↗

DOE OSTI2026

REDI – Readiness Engine for Data Integration

The Readiness Engine for Data Integration (REDI) is an open-source framework for automating, standardizing, and assessing the process of preparing scientific data for AI training. REDI implements a five-stage pipeline (ingest, preprocess, transform, structure, output) with per-stage provenance instrumentation via Flowcept, domain-aware transformation logic (PII anonymization, regridding, graph encoding, and more), and built-in readiness assessment and validation modes. REDI has been evaluated across climate, proteomics, materials science, and nuclear fusion datasets, demonstrating near-ideal parallel scaling to 100 nodes on OLCF's Frontier system. REDI is deployable as an agent-callable skill in coding environments such as Claude Code and OpenAI Codex, and is complemented by SetGo for FAIR compliance and catalog publication.

Brewer, Wesley [Oak Ridge National Laboratory (ORN↗

DOE OSTI2023

Anomaly Detection and Identification Using a Leave-One-Variable-Out Method

At nuclear power plants (NPPs), anomaly detection and identification (i.e., determining the causes of anomalies) are important tasks for ensuring the safe and efficient operation of NPPs. These tasks are currently labor-intensive and costly, and are made more difficult by the size and complexity of NPP systems. An alternative approach to conducting these tasks is to automate them, such as via the reconstruction-based contribution method, which is a well-researched unsupervised machine learning method that uses a data-driven model of anomaly-free behavior to detect events and then identify each variable’s contributions to those events. The present effort developed a novel contribution approach that utilized a leave-one-variable-out (LOVO) model, with which each variable is predicted using all the other variables. The novelty lay in transforming this model into a reconstruction model and modifying the identification algorithm to work with the new reconstruction model. To evaluate this method in a controlled environment, a synthetic dataset based on spring-mass-damper (SMD) systems (commonly found in mechanical engineering references) was used, with known anomalies introduced into the system. The proposed method successfully detected the anomalies and afforded insights into their causes, thus enabling the appropriate identifications to be made.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

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 OSTI2025

Renewable Energy Potential Model: Hawaii Geothermal Supply Curves

This dataset extends the development of the Renewable Energy Potential (reV) model to include geothermal energy, with a specific focus on Hawaii. Provided here are the results of two scenarios that were modeled for geothermal energy in Hawaii: binary enhanced geothermal systems (EGS) at a depth of 2.5 km and hydrothermal binary systems at a depth of 1.5 km. The resource data for both scenarios were derived from Lautze and Haskins (2024) using an exponential method. The PFA probability of heat map was used as a look up table for which temperature gradient to use (Lautze and Haskins, 2024). The dataset provides geospatial and techno-economic details for evaluating geothermal energy potential. It includes spatial coordinates, estimated capacity factors, developable area, resource potential, and annual energy production metrics. Economic details such as levelized cost of electricity (LCOE), site development costs, transmission costs, and fixed-charge rates are also included. The reV model, originally developed for wind and solar energy, incorporates these variables to evaluate deployment constraints related to land use, environmental and cultural factors, and grid integration.

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

Agricultural Impacts on Nitrogen Cycling: Climate and Air Pollution (Final Technical Report)

We have successfully added a parameterization of ammonia emissions from synthetic fertilizer and manure from agriculture to Earth System Models. We have evaluated how emissions change in the future and the processes driving these changes. We have examined the impact of agricultural ammonia emissions on present-day air quality and have evaluated the impact of resolving the emissions with high temporal resolution. We have also examined the impact of how Earth System Models treat the cycling of emissions in soils. Our code, the Flows of Agricultural Nitrogen – version 2 – model (FANv2) has been run in both the CLM framework and the ELM framework. To my knowledge the code has not yet been fully implemented into ELM. Volatilization of ammonia (NH3) from fertilizers and livestock wastes forms a significant pathway of nitrogen losses in agricultural ecosystems and constitutes the largest source of atmospheric emissions of NH3. We have provided a major update to the process model FAN (Flow of Agricultural Nitrogen), which evaluates NH3 emissions interactively within an Earth system model; in this work, the Community Earth System Model (CESM) is used. The updated version (FANv2) includes a more detailed treatment of both physical and agricultural processes, which allows the model to differentiate between the volatilization losses from animal housings, manure storage, grazed pastures, and the application of manure and different types of mineral fertilizers. The modeled ammonia emissions are first evaluated at a local scale against experimental data for various types of fertilizers and manure, and they are subsequently run globally to evaluate NH3 emissions for 2010–2015 based on gridded datasets of fertilizer use and livestock populations. Comparison of regional emissions shows that FANv2 agrees with previous inventories for North America and Europe and is within the range of previous inventories for China. However, due to higher NH3 emissions in Africa, India, and Latin America, the global emissions simulated by FANv2(48 Tg N) are 30 %–40 % higher than in the existing inventories.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Cybersecurity Center for Offshore Wind Energy (Final Project Report)

This project establishes a Cybersecurity Center for Offshore Wind Energy with the objective of designing and operating a cyber-physical testbed for wind energy farms (WEFs) that enables comprehensive cybersecurity research. The testbed incorporates a Supervisory Control and Data Acquisition (SCADA) system connected to turbine models via industrial-grade programmable logic controllers (PLCs) and remote terminal units (RTUs). It supports side-channel data acquisition, implementation and analysis of various cyberattack scenarios, and development of attack detection, mitigation, and best-practice guidance tailored to wind energy systems. During the project, the team expanded the number and fidelity of mathematical turbine models (MTMs), integrated these models with SCADA infrastructure, and deployed a scaled physical turbine and associated sensors. High-resolution operational and side-channel data streams were collected and used to refine machine-learning (ML)-based attack detection systems and to extend the WindCRAFT framework to multi-turbine threat scenarios. The project demonstrated a realistic, scalable environment for evaluating cyber threats, validated attack detection approaches using enriched datasets, and identified new multi-turbine and inter-turbine communication attack vectors. The resulting testbed, models, and security mechanisms provide a foundation for ongoing R&D and deployment of cyber-resilient offshore wind energy systems.

17 WIND ENERGY↗

DOE OSTI2025

Shallow cloud variability in Houston, Texas, during the ESCAPE and TRACER field experiments

Shallow convection plays an important role in Earth's climate system by regulating the vertical transport of heat, moisture, and momentum in the lower troposphere. Aerosols, large-scale meteorology, and low-level convergence influence the spatiotemporal variability in shallow convection, and the coastal urban area of Houston, Texas, is an ideal laboratory to investigate these complex interactions. Here, geostationary satellite and ground-based radar observations from June to September 2022 during the TRacking Aerosol Convection interactions ExpeRiment (TRACER) and Experiment of Sea Breeze Convection, Aerosols, Precipitation, and Environment (ESCAPE) field campaigns are used to characterize the spatial coverage, vertical extent, and precipitation fraction of shallow convective clouds. The fused operational remote sensing datasets over a 250 km × 250 km domain are evaluated against profiling observations. The domain-wide diurnal shallow cloud fractions are used to identify four distinct modes of shallow convection. In all clusters, the domain-wide cloud fractions are consistently higher than the domain-wide precipitation fractions, and shallow cloud fractions are higher over water than they are over land, while the shallow precipitation fractions show the opposite behavior. In the two modes with minimal deep cloud activity, shallow cloud frequency is highest over ocean in the early morning, and there is a transition to higher shallow cloud frequency over land by the afternoon in one cluster or to high shallow cloud frequencies everywhere by the afternoon in the other. Lastly, we find regions with higher shallow cloud top heights and a large region along the coastline where shallow clouds are more likely to precipitate.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

An improved mechanistic model for ammonia volatilization in Earth system models: Flow of Agricultural Nitrogen version 2 (FANv2)

Abstract. Volatilization of ammonia (NH 3 ) from fertilizers and livestock wastes forms a significant pathway of nitrogen losses in agricultural ecosystems and constitutes the largest source of atmospheric emissions of NH 3 . This paper describes a major update to the process model FAN (Flow of Agricultural Nitrogen), which evaluates NH 3 emissions interactively within an Earth system model; in this work, the Community Earth System Model (CESM) is used. The updated version (FANv2) includes a more detailed treatment of both physical and agricultural processes, which allows the model to differentiate between the volatilization losses from animal housings, manure storage, grazed pastures, and the application of manure and different types of mineral fertilizers. The modeled ammonia emissions are first evaluated at a local scale against experimental data for various types of fertilizers and manure, and they are subsequently run globally to evaluate NH3 emissions for 2010–2015 based on gridded datasets of fertilizer use and livestock populations. Comparison of regional emissions shows that FANv2 agrees with previous inventories for North America and Europe and is within the range of previous inventories for China. However, due to higher NH 3 emissions in Africa, India, and Latin America, the global emissions simulated by FANv2 (48 Tg N) are 30 %–40 % higher than in the existing inventories.

Vira, Julius↗

NASA NTRS1995

Comparison of simulated cloud cover with satellite obsrvations over the Western United States

Satellite imagery datasets and regional climate model results are intercompared for evaluation of model accuracy in the simulation of cloud cover. Both monthly average individual simulation times are analyzed. To provide a consistent comparison, satellite data are first mapped into the model's geographic projection, grid domain, and resolution. It is found that September 1988 monthly average cloud fraction results from the modeled simulations correspond to observations, in both spatial pattern and magnitude, with bias less than +/- 20% cloud fraction over the entire inland West. Agreement in the pattern of cloud fraction also is evident for monthly average cloud fraction in July, but there is no negative bias of 10%-30% cloud fraction in the model diagnosis of cloud cover. Correlations between the spatial distributions of model-derived and observed cloud fractions are found to exceed 0.80 for certain geographic regions of the West, and these correlations are largest over mountainous areas during summer. Case studies of a series of daily cloud cover demonstrate the ability of the model to simulate the effects of frontal passage on cloud distribution. The ability of the RegCM1 to simulate daily cloud fraction and diurnal cloud evolution is somewhat weak for the summer convective season. It is anticipated that a more recent version of the regional climate model may improve the simulation of summer season cloud cover, through changes in cloud parameterization and improvements in model resolution.

Wetzel, Melanie A.↗

NASA NTRS1998

Evaluation of Landscape Structure Using AVIRIS Quicklooks and Ancillary Data

Currently the best tool for examining landscape structure is remote sensing, because remotely sensed data provide complete and repeatable coverage over landscapes in many climatic regimes. Many sensors, with a variety of spatial scales and temporal repeat cycles, are available. The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) has imaged over 4000 scenes from over 100 different sites throughout North America. For each of these scenes, one-band "quicklook" images have been produced for review by AVIRIS investigators. These quicklooks are free, publicly available over the Internet, and provide the most complete set of landscape structure data yet produced. This paper describes the methodologies used to evaluate the landscape structure of quicklooks and generate corresponding datasets for climate, topography and land use. A brief discussion of preliminary results is included at the end. Since quicklooks correspond exactly to their parent AVIRIS scenes, the methods used to derive climate, topography and land use data should be applicable to any AVIRIS analysis.

Sanderson, Eric W.↗

NASA NTRS2000

Using TRMM Field Campaign Data for Assessing GEOS Forecast and Assimilation Products

The wealth of in-situ measurements gathered during Tropical Rain Measuring Mission (TRMM) field campaigns over a wide range of tropical conditions constitute an important data source for evaluating the quality of global model forecasts and assimilated datasets. In this study we use selected observations of cloud microphysics and atmospheric sounding from TEFLUN-1998, SCEMEX-1998, and TRMMLBA-1999 to examine the assimilation and forecast fields produced by the operational GEOS-3 (Goddard Earth Observing System - version 3) global data assimilation system (DAS) and a new finite-volume DAS under development at the Data Assimilation Office. Additionally, TRMM field campaign measurements are used to verify the impact of assimilating rainfall and moisture data derived from TRMM Microwave Imager and Special Sensor Microwave/Imager instruments on the GEOS analysis. We will also explore issues concerning the 'error of representativeness' in using in-situ observations of quantities with large spatial and temporal variability such as precipitation for validating gridded global data products.

Hou, Arthur Y.↗

NASA NTRS2010

Integrating Enhanced Grace Terrestrial Water Storage Data Into the U.S. and North American Drought Monitors

NASA's Gravity Recovery and Climate Experiment (GRACE) satellites measure time variations nf the Earth's gravity field enabling reliable detection of spatio-temporal variations in total terrestrial water storage (TWS), including ground water. The U.S. and North American Drought Monitors are two of the premier drought monitoring products available to decision-makers for assessing and minimizing drought impacts, but they rely heavily on precipitation indices and do not currently incorporate systematic observations of deep soil moisture and groundwater storage conditions. Thus GRACE has great potential to improve the Drought Monitors hy filling this observational gap. Horizontal, vertical and temporal disaggregation of the coarse-resolution GRACE TWS data has been accomplished by assimilating GRACE TWS anomalies into the Catchment Land Surface Model using ensemble Kalman smoother. The Drought Monitors combine several short-term and long-term drought indices and indicators expressed in percentiles as a reference to their historical frequency of occurrence for the location and time of year in question. To be consistent, we are in the process of generating a climatology of estimated soil moisture and ground water based on m 60-year Catchment model simulation which will subsequently be used to convert seven years of GRACE assimilated fields into soil moisture and groundwater percentiles. for systematic incorporation into the objective blends that constitute Drought Monitor baselines. At this stage we provide a preliminary evaluation of GRACE assimilated Catchment model output against independent datasets including soil moisture observations from Aqua AMSR-E and groundwater level observations from the U.S. Geological Survey's Groundwater Climate Response Network.

Housborg, Rasmus↗

NASA NTRS2011

Overview of NASA's Carbon Monitoring System Flux-Pilot Project

NASA's space-based observations of physical, chemical and biological parameters in the Earth System along with state-of-the-art modeling capabilities provide unique capabilities for analyses of the carbon cycle. The Carbon Monitoring System is developing an exploratory framework for detecting carbon in the environment and its changes, with a view towards contributing to national and international monitoring activities. The Flux-Pilot Project aims to provide a unified view of land-atmosphere and ocean-atmosphere carbon exchange, using observation-constrained models. Central to the project is the application of NASA's satellite observations (especially MODIS), the ACOS retrievals of the JAXA-GOSAT observations, and the "MERRA" meteorological reanalysis produced with GEOS-S. With a primary objective of estimating uncertainty in computed fluxes, two land- and two ocean-systems are run for 2009-2010 and compared with existing flux estimates. An transport model is used to evaluate simulated CO2 concentrations with in-situ and space-based observations, in order to assess the realism of the fluxes and how uncertainties in fluxes propagate into atmospheric concentrations that can be more readily evaluated. Finally, the atmospheric partial CO2 columns observed from space are inverted to give new estimates of surface fluxes, which are evaluated using the bottom-up estimates and independent datasets. The focus of this presentation will be on the science goals and current achievements of the pilot project, with emphasis on how policy-relevant questions help focus the scientific direction. Examples include the issue of what spatio-temporal resolution of fluxes can be detected from polar-orbiting satellites and whether it is possible to use space-based observations to separate contributions to atmospheric concentrations of (say) fossil-fuel and biological activity

Pawson, Steven↗

NASA NTRS2020

The interactive global fire module pyrE (v1.0)

Fires affect the composition of the atmosphere and Earth’s radiation balance by emitting a suite of reactive gases and particles. An interactive fire module in an Earth system model (ESM) allows us to study the natural and anthropogenic drivers, feedbacks, and interactions of open fires. To do so, we have developed pyrE, the NASA GISS (Goddard Institute for Space Studies) interactive fire emissions *module. The pyrE module is driven by environmental variables like flammability and cloud-to-ground lightning, calculated by the GISS ModelE ESM, and parameterized by anthropogenic impacts based on population density data. Fire emissions are generated from the flaming phase in pyrE (active fires). Using pyrE, we examine fire occurrence, regional fire suppression, burned area, fire emissions, and how it all affects atmospheric composition. To do so, we evaluate pyrE by comparing it to satellite-based datasets of fire count, burned area, fire emissions, and aerosol optical depth (AOD). We demonstrate pyrE’s ability to simulate the daily and seasonal cycles of open fires and resulting emissions. Our results indicate that interactive fire emissions are biased low by 32 %–42 %, depending on emitted species, compared to the GFED4s (Global Fire Emissions Database) inventory. The bias in emissions drives underestimation in column densities, which is diluted by natural and anthropogenic emissions sources and production and loss mechanisms. Regionally, the resulting AOD of a simulation with interactive fire emissions is underestimated mostly over Indonesia compared to a simulation with GFED4s emissions and to MODIS AOD. In other parts of the world pyrE’s performance in terms of AOD is marginal to a simulation with prescribed fire emissions.

Fires↗

NASA NTRS2022

Effective Uncertainty Quantification for Multi-Angle Polarimetric Aerosol Remote Sensing Over Ocean

Multi-angle polarimetric (MAP) measurements can enable detailed characterization of aerosol microphysical and optical properties and improve atmospheric correction in ocean color remote sensing. Advanced retrieval algorithms have been developed to obtain multiple geophysical parameters in the atmosphere–ocean system. Theoretical pixel-wise retrieval uncertainties based on error propagation have been used to quantify retrieval performance and determine the quality of data products. However, standard error propagation techniques in high-dimensional retrievals may not always represent true retrieval errors well due to issues such as local minima and the nonlinear dependence of the forward model on the retrieved parameters near the solution. In this work, we analyze these theoretical uncertainty estimates and validate them using a flexible Monte Carlo approach. The Fast Multi-Angular Polarimetric Ocean coLor (FastMAPOL) retrieval algorithm, based on efficient neural network forward models, is used to conduct the retrievals and uncertainty quantification on both synthetic HARP2 (Hyper-Angular Rainbow Polarimeter 2) and AirHARP (airborne version of HARP2) datasets. In addition, for practical application of the uncertainty evaluation technique in operational data processing, we use the automatic differentiation method to calculate derivatives analytically based on the neural network models. Both the speed and accuracy associated with uncertainty quantification for MAP retrievals are addressed in this study. Pixel-wise retrieval uncertainties are further evaluated for the real AirHARP field campaign data. The uncertainty quantification methods and results can be used to evaluate the quality of data products, as well as guide MAP algorithm development for current and future satellite systems such as NASA’s Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission.

PACE↗

DOE OSTI2025

Miscanthus carbon flux data for SABR and UIEF

This eddy covariance (EC) gap-filled and partitioned flux dataset for Miscanthus from the SABR and UIEF farms was collected to evaluate carbon fluxes during the establishment phase of Miscanthus. The goal of this research is to quantify net carbon exchange using the EC technique at two sites and assess how carbon uptake varies with different planting densities. The dataset is contains two .csv files.

Aslan Sungur, Guler (Rojda) [Department of Agronom↗