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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6

Improving Trustworthiness of Data-Driven Power Grid Contingency Analysis With Bayesian Residual Graph Neural Networks

The evolving energy landscape requires novel tools to efficiently perform contingency analysis and reliability assessment of power grids, potentially in real-time. The high computational cost of traditional power flow solvers limits their applicability in practice. Machine learning (ML) surrogates such as deep neural networks (NNs) accelerate power flow solvers computations, enabling high-order contingency analysis and real-time decision-making by learning highly nonlinear functions and integrating grid topology via graph architectures. However, (graph) NNs lack predictive power away from training data and do not provide predictive confidence estimates. Here, we present a Bayesian residual graph NN that integrates knowledge from low-fidelity data via residual training and embeds granular quantification of uncertainties, improving trustworthiness critical for high-consequence decision-making. Applying Bayesian concepts to NNs is challenging due to the high-dimensionality of both the parameter space, complicating derivation of a meaningful prior, and the output space in large grid systems, requiring enhanced techniques to assess the predicted high-dimensional uncertainties. Our contributions include: (1) Deriving a prior for fully connected and graph NNs that leverages low-fidelity data to guide mean predictions and appropriately control prior predictive uncertainty. (2) Integrating this prior within an ensembling with anchoring scheme for efficient approximate posterior inference. (3) Deriving enhanced metrics to assess accuracy of both the mean and uncertainty predictions in high dimensions, appropriately accounting for correlations propagated through graph layers. The resulting Bayesian residual graph NN is tested on a contingency analysis task for 14-bus and 118-bus grids.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

A Neural Optimizer With Decision-Focused Learning for Optimal Energy Storage Operation

Here, this article introduces a neural optimizer-based framework for optimizing battery energy storage system (BESS) control for grid services, including demand charge and energy cost reduction. By leveraging decision-focused learning (DFL), the proposed framework ensures seamless integration and adaptation, significantly enhancing control performance. A patch time-series transformer is employed for peak load forecasting, incorporating aleatoric uncertainty quantification to account for forecasting uncertainties within the decision-making process. The framework utilizes a solver-in-the-loop approach to generate optimal BESS actions, which are then used to train the neural optimizer-based agent. By co-optimizing both BESS operational modes and output power within the NN, the system achieves improved performance and robustness. After initial training, the forecasting and control models are jointly fine-tuned to account for forecasting errors, further improving decision precision and efficiency through DFL. Case studies are performed to validate the performance of the framework using multiple real-world datasets, demonstrating superior performance in monthly peak load forecasting compared to state-of-the-art models. In addition, the results are compared against existing decision-making approaches. The results demonstrate a reduction in monthly peak forecasting error by approximately 15% across various performance measures and achieve an optimization gap for BESS operation that is about three times smaller compared to existing methods.

Kim, Hyeonjin [Pacific Northwest National Laborato↗

VA EDH Advanced Software Pipeline Framework Report: Enhancing Automation and Scalability

The VA Environmental Determinants of Health (EDH) Advanced Software Pipeline Framework is designed to enhance the efficiency, scalability, and security of geospatial data processing workflows. This framework integrates modern data orchestration and containerization technologies, including Prefect for workflow automation, Docker for containerization, and PostgreSQL/PostGIS for geospatial data storage and analysis. It ensures standardized, reproducible, and automated data processing, supporting VA objectives related to substance use risk assessment and recovery research. The pipeline addresses key scalability and performance challenges through horizontal and vertical scaling, high-performance computing (HPC) integration, parallel processing, task caching, and dynamic resource allocation. These optimizations improve throughput and reduce latency, allowing the system to efficiently manage large and complex datasets. Additionally, security and compliance measures—such as data encryption (SSL), Role-Based Access Control (RBAC), and adherence to GDPR and HIPAA standards—safeguard sensitive information throughout data transmission and storage. A key implementation of this framework includes the automation of shelter list geolocation workflows, ensuring that up-to-date data is readily available for VA decision-making. Lessons learned from this project include the transition from in-memory processing to incremental storage writes, improving resource management and reliability. Future enhancements aim to expand automation, integrate AI-driven anomaly detection, and incorporate high-performance computing resources. This framework provides a scalable, secure, and adaptable solution for managing geospatial datasets, reinforcing the VA’s ability to support clinical and strategic initiatives through data-driven decision-making.

97 MATHEMATICS AND COMPUTING↗

Ten questions on building stock modeling to inform energy efficiency and sustainability

To enhance economic competitiveness and ensure energy efficiency, resilience, and security, cities and governments are adopting technologies and strategies to improve their existing building stocks. This approach aims to reduce energy use, improve energy affordability, and ensure a reliable power supply while safeguarding occupants during extreme weather events that may disrupt energy services. The effectiveness of these solutions will depend on building stock characteristics, use patterns, weather conditions, evolving technologies and their markets, and a city’s socio-economic conditions. This paper presents ten questions and answers that highlight the most important issues regarding the use of building stock modeling as a powerful tool to provide insights for informing stakeholders’ actions and decision-making on energy efficiency, costs reduction, and resilience of buildings in cities. Building stock modeling should build upon the fit-for-purpose framework, balancing the use case accuracy requirements, level of complexity, and needed resources (expertise, compute). The advancements in Artificial Intelligence (AI), the increasingly available open dataset of building stock in cities, and the more affordable powerful computing will accelerate the adoption of building stock modeling across scales by researchers and practitioners to inform decision making on sustainability and efficiency.

AI↗

Foveal vision reduces neural resources in agent-based game learning

Efficient processing of information is crucial for the optimization of neural resources in both biological and artificial visual systems. In this paper, we study the efficiency that may be obtained via the use of a fovea. Using biologically-motivated agents, we study visual information processing, learning, and decision making in a controlled artificial environment, namely the Atari Pong video game. We compare the resources necessary to play Pong between agents with and without a fovea. Our study shows that a fovea can significantly reduce the neural resources, in the form of number of neurons, number of synapses, and number of computations, while at the same time maintaining performance at playing Pong. To our knowledge, this is the first study in which an agent must simultaneously optimize its visual system, along with its decision making and action generation capabilities. That is, the visual system is integral to a complete agent.

60 APPLIED LIFE SCIENCES↗

Increasing the Reproducibility and Replicability of Supervised AI/ML in the Earth Systems Science by Leveraging Social Science Methods

Artificial intelligence (AI) and machine learning (ML) pose a challenge for achieving science that is both reproducible and replicable. The challenge is compounded in supervised models that depend on manually labeled training data, as they introduce additional decision-making and processes that require thorough documentation and reporting. We address these limitations by providing an approach to hand labeling training data for supervised ML that integrates quantitative content analysis (QCA)—a method from social science research. The QCA approach provides a rigorous and well-documented hand labeling procedure to improve the replicability and reproducibility of supervised ML applications in Earth systems science (ESS), as well as the ability to evaluate them. Specifically, the approach requires (a) the articulation and documentation of the exact decision-making process used for assigning hand labels in a “codebook” and (b) an empirical evaluation of the reliability” of the hand labelers. In this paper, we outline the contributions of QCA to the field, along with an overview of the general approach. We then provide a case study to further demonstrate how this framework has and can be applied when developing supervised ML models for applications in ESS. With this approach, we provide an actionable path forward for addressing ethical considerations and goals outlined by recent AGU work on ML ethics in ESS.

58 GEOSCIENCES↗

Economic Evaluation of Modernization Expenditures for Electric Utility Distribution Systems: A Guide for Utility Regulators

Cost-effectiveness evaluation of potential grid modernization solutions is integral to integrated distribution system planning (IDSP). This report synthesizes and updates prior cost-effectiveness approaches identified by the U.S. Department of Energy for grid modernization investments, incorporating multi-objective decision-making. The structure of the report follows the IDSP process, from identifying objectives and priorities to prioritizing grid solutions. The report details two methods for conducting initial cost-effectiveness screening of individual and interdependent grid components: (1) Lowest Reasonable Cost and (2) Benefit-Cost Analysis. Drawing on solutions that passed the initial cost-effectiveness screen, the utility prioritizes grid solutions based on policy objectives and priorities, regulatory compliance, operational efficiencies, and other factors to develop a portfolio of distribution solutions. The utility uses multi-objective decision-making to assess each proposed expenditure against each objective and respective metric. The utility applies a weighting factor, reflecting the priority ranking of the objective, to the total numerical “score” based on the contribution of the proposed solution to addressing each objective. Ultimately, the utility ranks each expenditure from highest to lowest priority using the final score for each solution as well as its cost. The report includes examples of emerging best practices for states and utilities and a cost-effectiveness process checklist.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Application of Artificial Intelligence/Machine Learning to Operations Research

This report examines the transformative impact of Artificial Intelligence (AI) and Machine Learning (ML) on operations research, private industry, and government sectors, highlighting their applications in automating processes, enhancing decision-making, and optimizing complex systems. AI/ML technologies have revolutionized industries through predictive maintenance, supply chain optimization, and autonomous systems, while also advancing public safety and defense operations. However, challenges such as data integrity, model transparency, and the need for human oversight persist, particularly in high-consequence environments. The report emphasizes the critical role of explainable AI (XAI) and human-computer interaction models like Human-in-the-Loop (HITL) and Human-on-the-Loop (HOTL) in fostering trust and accountability. Balancing automation with ethical responsibility and transparency is essential for the continued successful integration of AI/ML into operational and strategic decision-making frameworks.

97 MATHEMATICS AND COMPUTING↗

Automated Framework for Groundwater Monitoring Using DWT with LSTM and Transformers

Environmental monitoring is critical for safeguarding public health and ecological well-being. Traditional data structuring and workflow monitoring methods consume significant time and effort, hindering timely insights and effective decision-making. Our study addresses this challenge by presenting an AI framework that automates data cleaning, structuring, and modeling processes, specifically targeting applications in groundwater monitoring. By leveraging automation for data processing and model training, our framework establishes a novel and efficient paradigm for environmental monitoring, with its potential application to the vast network of over a hundred Department of Energy Environmental Management (DoE-EM) cleanup sites across the country. It analyzes data streams from a network of groundwater Internet-of-Things (IoT) sensors deployed at the Savannah River Site (SRS) for prediction modeling. This allows human experts to focus on analysis and decision-making, ultimately leading to better environmental outcomes.The framework employs multivariate time-series forecasting methods to study and model the behavior of varying chemical analytes. The continuous learning process is enabled by utilizing deep learning techniques. It allows the framework to become more nuanced in its analysis over time, adapting to the specific characteristics of the environmental site and the evolving nature of contaminant behavior. Deep learning models known for sequence modeling, LSTM, and Transformers are employed for time series forecasting. Data processing and structuring are essential components significantly impacting the final model's performance. This hypothesis was proven by presenting a comparative analysis of model performance with processed and unprocessed data. The feature engineering approach utilized was the Discrete Wavelet Transform, which works well with time series data.

Discrete Wavelet Transform (DWT)↗

Improving Self-Driving Labs: Quantifying System-Level Experiment Repeatability and Broadening Instrument-Level Compatibility

Modular Autonomous Research System (MARS) is a self-driving laboratory (SDL) which performs wet-lab science with peptide-lanthanide combinations in an automated and, ultimately, an autonomous manner to aid in soil analysis for domestic lithium mining. Autonomous experimentation involves automated experimentation, experiment planning, and active learning. MARS consists of a 6-axis robotic arm (UR5e) on a linear rail, pipette robots (Opentrons 2), and microplate readers. These components transport, operate on, and collect data with chemical solutions in standard labware. For effective autonomy, MARS must perform system-level labware operations repeatably, plan experiments autonomously, and be portable between research-domains. Repeatability is evaluated by labware placement precision, such that future operations can properly locate labware, as well as the elapsed time, so that low variance mean estimates of experiment duration can inform high-level researcher decision making. Autonomous experiment planning is the next step to decouple experimentation from human management; however, there is a conflict between the ideal system-level experiment goals and the constraints imposed by instruments’ limitations. Sub-domain portability is a long-term goal to extend MARS’ research beyond the chemistry of peptide-lanthanide binding to other sub-domains without having to invest significant overhead to system retrofitting. To address these goals, we manually trained the robotic arm labware placement and modelled statistical failurerate and uncertainty Additionally, we benchmarked the duration and variance of each experiment sub-operation as a heuristic for research decision making. Next, we use a parameterized geometric program (PGP) approach to design experiments that optimize system-level objectives and satisfy instrument-level constraints. Lastly, we proposed a Python framework to maximize MARS’ extensibility to other scientific sub-domains through a JSON-based experiment specification.

36 MATERIALS SCIENCE↗

Improving the Freight Productivity of a Heavy-Duty, Battery Electric Truck by Intelligent Energy Management

This project aimed to enhance the range and reduce the operating costs of battery electric Class 8 trucks traveling over 250 miles daily. This was achieved through the development and implementation of an intelligent-Energy Management System (i-EMS) that leverages vehicle and operations data, physics-aware machine learning algorithms, and vehicle-to-cloud (V2C) connectivity. The project hypothesized that advanced machine learning algorithms and real-time data analytics could significantly improve the energy efficiency and range of these trucks. Key objectives included developing a physics-aware machine learning algorithm, implementing an i-EMS with V2C connectivity and physics-aware spatial data analytics (PSDA), and validating the system’s effectiveness with fleet partners HEB Companies and Murphy Logistics. Extensive data collection from vehicle operations, including vehicle characteristics, road conditions, and payload, was conducted. A machine learning algorithm was developed to predict energy consumption and enable proactive decision-making. The i-EMS was implemented on two Volvo VNR BEVs, with operators receiving charging and routing recommendations. Charging stations were installed at depot locations in Texas and Minnesota, with an additional on-route charger in Minnesota. Significant findings included a 14% range improvement for Murphy Logistics on a highway-driving eco-route and a 22% range improvement for HEB Companies on a city-driving eco-route. The i-EMS utilized rule-based methods and physics-based algorithms to predict and reduce energy consumption, with real-time monitoring and analysis through V2C connectivity enabling proactive decision-making. The project demonstrated the feasibility and economic viability of battery electric Class 8 trucks for long-haul operations, showcasing the potential of physics-aware machine learning in optimizing energy management. The successful implementation of the i-EMS in real-world scenarios validates its practical application and effectiveness, paving the way for the widespread adoption of battery electric vehicles in the freight transportation industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Teaching Freight Mode Choice Models New Tricks Using Interpretable Machine Learning Methods

Understanding and forecasting the intricate freight mode choice behavior under various industry, policy, and technology contexts is essential in freight planning and policymaking. Numerous models have been developed in prior studies to provide insights into freight mode selection, the majority of which use discrete choice models such as multinomial logit (MNL) models. However, logit models often rely on linear specifications of independent variables, despite potential nonlinear relationships in the data. Moreover, there often lacks a heuristic and efficient approach to identify such complex relationships to define the logit model specifications. To fill this gap, we developed an MNL model for freight mode choice using the insights from state-of-the- art machine learning (ML) models. ML models can capture the nonlinear nature of the complex decision-making process, and recent advances in 'explainable AI' have greatly improved their interpretability. The interpretable ML methods help enhance the performance of MNL models and advance knowledge of freight mode choice. Specifically, the influential factors and their relationship with individual modes are identified using SHapley Additive exPlanations (SHAP) to improve the MNL's performance. The workflow is demonstrated in a case study of Austin, Texas, and the SHAP results reveal multiple nonlinear relationships predicted by ML models. Incorporating those relationships into MNL model specifications improves the interpretability and accuracy of the MNL model compared to a conventional MNL model. Findings from this study can be used to guide freight planning and inform policymakers and practitioners on how key factors affect freight decision-making.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗

Evaluation of HVAC & refrigeration system fault behaviors and impacts: A systematic review

Achieving the goals of green buildings critically depends on the fault-free operation of heating, ventilation and air conditioning and refrigeration (HVAC&R) systems. However, faults frequently occur in these systems, causing a range of negative consequences, including increased energy consumption, diminished operational performance, compromised indoor environmental quality, higher operational costs, and shortened system lifespan. The evaluation of fault behaviors and impacts plays a critical role in revealing fault characteristics and consequently supports many research areas, including the design of the high-performance equipment, development of fault detection and diagnostics (FDD) and robust control approaches, as well as the enhancement of maintenance decision-making activities. This paper systematically reviews 112 research publications that reported the analysis and evaluation of fault behaviors and impacts in HVAC&R systems over the past thirty years. Here, we designed a review approach to address five crucial research questions, namely: 1) the objectives of analysis and evaluation of fault behaviors and impacts, 2) data sources, 3) equipment/system types and fault types, 4) evaluation methods including evaluation measures and associated metrics, and 5) challenges and future directions in the research on evaluating of fault behaviors and impacts. In-depth discussions on these questions help bridge the gap between the evaluation of fault behaviors and impacts and their practical applications, such as the development of high-performance systems, fault models, FDD methods, and maintenance decision-making tools within the HVAC&R FDD domain.

Chen, Yimin [Oak Ridge National Laboratory (ORNL),↗

Use of Rig Parameter Data in Bit Constraint Models for Improved Drilling Performance at The Geysers

Surface parameter measurements are routinely used during deep well construction to monitor and guide drilling conditions for improved performance and reduced costs. However, these measurements are of reduced value without a standard to aid in evaluation and decision making. A method is demonstrated whereby drill bit constraint models are used to interpret drilling response parameters. Drill rig parameter data for well GDC-36 at the Geysers Geothermal Field Power were acquired by Geysers Power Company and drilling contractor Kenai Drilling using Pason US DataHub and evaluated. Drilling parameters are evaluated using laboratory-validated rock reduction models for predicting the phenomenological response of drag bits (Detournay and Defourny, 1992) along with other model constraints in computational algorithms. The method is used to evaluate overall bit performance, monitor bit integrity, and detect the presence of drillstring vibrations and other conditions contributing to bit failure; comparisons are made to observations of bit wear and damage. The method will be applied in real-time to improve decision-making on subsequent wells and has applicability to development of advanced analytics on future geothermal wells using real-time electronic drilling recorder (EDR) data for improved performance and reduced drilling costs.

15 GEOTHERMAL ENERGY↗

Lessons Learned from Ecosystem-Scale Experimental Field Studies (Workshop Report)

Efforts to understand and predict ecosystem responses to environmental change require long-term, large-scale, spatially representative experiments and observations that capture natural variability, test predictive models, and generate transferable knowledge. Such studies are indispensable for unraveling the complexities of terrestrial ecosystems and their responses to disturbances and evolving environmental conditions, while generating the data necessary for developing mechanistic models and predictive tools that inform decision-making processes. Having a rich history of designing and executing large-scale ecosystem experiments, the U.S. Department of Energy’s Environmental System Science program convened a workshop in January 2025 that brought together leaders in the field to distill critical lessons from decades of experience in large-scale experiments. The workshop aimed to (1) provide an ecosystem experiment primer for best practices, thus ensuring a high scientific return on investment for funding agencies, and (2) offer a robust framework for the design and management of future research initiatives. This report synthesizes insights and experiences from workshop participants and is structured to capture the entire research life cycle, from goal setting and design to operations, adaptive management, team dynamics, collaborations, and the often overlooked aspect of decommissioning. By synthesizing decision-making and lessons learned across diverse research approaches, the report aims to provide a template of essential factors to consider when designing successful long-term, large-scale ecosystem experiments.

54 ENVIRONMENTAL SCIENCES↗

High-resolution national mapping of natural gas composition substantially updates methane leakage impacts

Methane is emitted from oil and gas operations alongside heavier hydrocarbons and non-hydrocarbon gases, shaping emissions management decision-making, including air quality impacts. Yet, most assessments assume fixed gas composition, overlooking significant spatial and temporal variations. Here, we generate a high-resolution, data-driven map of natural gas composition across the United States, reconstructing methane, heavier hydrocarbons, and non-hydrocarbon species using spatio-temporal interpolation and oil-and-gas production patterns. Our approach is able to reduce composition prediction errors by 39% in terms of Mean Absolute Error (MAE) compared to standard techniques and reveals that methane loss rates have been underestimated by more than 50% in some regions. Beyond methane, we uncover substantial variability in co-emitted gases, exposing blind spots in current emissions inventories and emissions management frameworks. Our work enables more accurate emissions assessments, guides targeted measurement strategies, and informs emissions management decision-making. It also provides a general framework for prediction in environmental applications that integrate sparse measurements with auxiliary variables.

03 NATURAL GAS↗

Diesel Fuel Consumption in Prominent U.S. Open-Pit Mines: Site-Level Estimates

This report presents a comprehensive framework for estimating diesel fuel consumption and prices at open-pit mines in the United States. The framework includes transparent methods for calculating site-level diesel energy use when direct reporting is unavailable, and a structured confidence evaluation for each method. The framework is demonstrated to estimate current diesel consumption at 21 open-pit mines in the United States. Initial findings support ongoing efforts to strengthen the competitiveness and security of the U.S. industrial base by supporting data-driven supply chain analysis and decision-making, improved transparency in mining sector energy use, and targeted deployment of energy innovation and cost-reduction strategies. Future updates to the dataset—coupled with expanded data transparency and method validation—will help ensure that the findings remain relevant as the sector continues to evolve.

02 PETROLEUM↗

Board on Earth Sciences and Resources and Its Activities

The National Academies’ Board on Earth Sciences and Resources (BESR) and its standing committees provide an ongoing forum for advancing the understanding and communication of Earth sciences and resource topics, including emerging topics and innovative techniques. BESR activities help to provide evidence-based information to members of the executive and legislative branches of the federal government, the private sector, states and tribes, academia, non-governmental organizations, and the public to support decision-making. BESR and its standing Committee on Solid Earth Geophysics (COSEG), also supported by this award, fulfill this role through development and administration of consensus studies, as well as workshops and other convening activities related to the Earth sciences; overseeing selected activities of the Board’s standing committees, such as disciplinary meetings and webinars; and communicating, sharing information, and providing opportunities for interaction and exchange among technical and non-technical stakeholders. The core support received from DOE helps BESR and COSEG maintain a central body of volunteer experts and National Academies staff who can respond to pressing needs and requests from federal sponsors and other members of the Earth science community, to maintain the health and relevance of the Earth sciences discipline, and to provide the Earth science community with a privileged interface to the government to support scientific and engineering advances and decision making related to Earth sciences and engineering. Initiation and oversight of Earth science activities at the National Academies is an enduring function of the BESR and COSG that helps to ensure development and completion of projects and activities that are responsive to the needs of sponsors and the broader Earth science and research enterprise.

58 GEOSCIENCES↗