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DOE OSTI2025

Safe Physics-Informed Machine Learning for Dynamics and Control

This tutorial paper focuses on safe physics-informed machine learning in the context of dynamics and control, providing a comprehensive overview of how to integrate physical models and safety guarantees. As machine learning techniques enhance the modeling and control of complex dynamical systems, ensuring safety and stability remains a critical challenge, especially in safety-critical applications like autonomous vehicles, robotics, medical decision-making, and energy systems. We explore various approaches for embedding and ensuring safety constraints, including structural priors, Lyapunov and Control Barrier Functions, predictive control, projections, and robust optimization techniques. Additionally, we delve into methods for uncertainty quantification and safety verification, including reachability analysis and neural network verification tools, which help validate that control policies remain within safe operating bounds even in uncertain environments. The paper includes illustrative examples demonstrating the implementation aspects of safe learning frameworks that combine the strengths of data-driven approaches with the rigor of physical principles, offering a path toward the safe control of complex dynamical systems.

Drgona, Jan↗

DOE OSTI2025

CGSim: A Simulation Framework for Large Scale Distributed Computing Environment

Large-scale distributed computing infrastructures such as the Worldwide LHC Computing Grid (WLCG) require comprehensive simulation tools for evaluating performance, testing new algorithms, and optimizing resource allocation strategies. However, existing simulators suffer from limited scalability, hardwired algorithms, lack of real-time monitoring, and inability to generate datasets suitable for modern machine learning approaches. We present CGSim, a simulation framework for large-scale distributed computing environments that addresses these limitations. Built upon the validated SimGrid simulation framework, CGSim provides high-level abstractions for modeling heterogeneous grid environments while maintaining accuracy and scalability. Key features include a modular plugin mechanism for testing custom workflow scheduling and data movement policies, interactive real-time visualization dashboards, and automatic generation of event-level datasets suitable for AI-assisted performance modeling. We demonstrate CGSim’s capabilities through a comprehensive evaluation using production ATLAS PanDA workloads, showing significant calibration accuracy improvements across WLCG computing sites. Scalability experiments show near-linear scaling for multi-site simulations, with distributed workloads achieving 6 × better performance compared to single-site execution. The framework enables researchers to simulate WLCG-scale infrastructures with hundreds of sites and thousands of concurrent jobs within practical time budget constraints on commodity hardware.

Vatsavai, Sairam Sri [Brookhaven National Laborato↗

DOE OSTI2022

Modeling and Market Design Considerations for Conventional and Decarbonized Resources

The following paper reviews various market design issues that will need to be reconsidered due to anticipated changes in the resources that supply energy in wholesale electricity markets. As the energy supply continues towards decarbonization, the change in resource technologies will affect the fundamentals of production scheduling and the policies to address supply variability and uncertainty. We show through simple numerical examples that the existing market design approach based on fuel costs will result in $0/MWh prices with intermittent price spikes during reserve shortages, but that incorporating more granular reserve pricing, energy storage participation, and price-responsive demand participation can restore efficient market clearing with reasonable pricing outcomes. The market design approach fundamentally shifts from fuel based to opportunity cost based. We briefly review alternative market design frameworks that can support this shift, including intraday markets, decentralized markets, flexibility options, and swing contracts. Market designs may also be required to accommodate or support various out-of-market policies and agreements; ideally, these external factors can be integrated into the market design to facilitate efficient exchanges across longer time scales, between other markets, and in support of public policy goals. The paper concludes by discussing how decarbonization trends may affect the design and use of production cost models for short term operations and long term planning studies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

Agent-Based Coordination Scheme for PV Integration (ABC4PV)

Renewables and especially photovoltaics (PV) have benefitted significantly from a host of incentives and policies targeted toward enhanced integration and adoption of specific energy technologies. However, with the push to move forward into a subsidy-free market framework, behind-the-meter residential PV applications have generally struggled to retain their value (unlike utility scale and commercial projects) [1]. This project focused on developing control-theoretic solutions aimed at improving the integration and interaction of behind-the-meter residential PV with other distribution system assets (controllable and non-controllable) to enhance the integrated value of residential PV. To this end, a suite of decentralized control methodologies have been developed to enable effective coordination and control of behind-the-meter residential load customers’ PV, battery storage systems (BSS), controllable loads and other similar assets within a distribution feeder. This interaction aims at procuring energy savings and, thus, energy bill savings. The main source of savings is drawn from reducing the effect of demand charge pricing and is realized at the feeder level, assuming community level interaction and management among the aforementioned assets. Optimal control of the assets is implemented with a distributed optimization methodology, leveraging consensus-based algorithms. The results gathered from the optimal control simulations demonstrates that the savings can be duly achieved and the algorithm decision times (to dynamically control asset set points, for example) are fast. As for the overall efficiency of PV+BSS systems, to procure energy savings from curtailment of the demand charge pricing effects, the optimal control is set up so as to minimize the variance of the load for all customers, throughout a feeder and throughout time in a rolling horizon scheduling with model predictive control. The control takes into account inter-temporal electrochemical storage (battery) degradation costs: specifically, we have developed a long-term lifetime model for the BSS that weighs in the effect of the degradation factor in the dispatch formulations, thus, a considerable operating cost that affects energy decision making. The levelized cost of energy (LCOE – redefined for the purpose of quantifying asset integration effectiveness through the customers’ energy cost) is shown to be below the threshold set for the combined PV+BSS topology of $ 0.14/kWh for multiple cases of PV penetration all the way up to 50%, provided that a policy of shared ownership of and savings is in place. Further, the LCOE calculated for the case before the deployment PV+BSS systems is also achievable, i.e. the deployment of PV+BSS, if planned and scheduled optimally. will have no effect on customers’ energy costs. From the control methodology viewpoint, the developed consensus-based algorithms are shown to converge for a wide range of problem cases (spanning normal operating scenarios and contingencies), guaranteeing dispatch solutions under forecasting errors, communication break-downs and cyber-security attacks. The proposed control solutions are scalable and real-time implementable, with dispatch computations and device set-point updates converging in less than 2s in most practical instances of the above events.

14 SOLAR ENERGY↗

DOE OSTI2025

Analysis of Hydrogen Supply Chain Readiness in Selected Indo-Pacific Countries

This report explores the low-carbon hydrogen production and procurement targets of Indo-Pacific Economic Framework for Prosperity (IPEF) countries, highlighting key cost and infrastructure considerations. By 2030, production costs are targeted between US$\$$1.4-4.8/kg-H2, with procurement prices at US$\$$2.3/kg-H2, narrowing further by 2050. Midstream costs, including storage and transportation, are critical to meeting these targets and enabling hydrogen trade. The report discusses challenges such as infrastructure readiness, regulatory frameworks, and the need for improved data reporting. It emphasizes the importance of tax incentives, research investments, and port readiness to support the growth of low-carbon hydrogen markets in the region.

08 HYDROGEN↗

NASA NTRSDate not supplied

How Do Different Knowledge Frameworks Help Us Learn From Aviation Line Observations?

Human performance includes actions that increase safety, as well as actions that can reduce safety. Ensuring safety in complex dynamic operations like commercial aviation depends on the ability to institute appropriate responses based on what is learned from flightcrew performance and the contexts in which it occurs. To do this systemically at the organization level requires collecting data on flightcrew performance, developing effective approaches to analyzing those data, and understanding how to translate what has been learned into policies, procedures, and practice. Systematic observation of front-line operators is a vital source of human performance data. Much has been learned from such observations, including methodological principles. Most observations have been based on a framework focused on managing safety challenges and the ensuing unsafe events. A complementary perspective focuses on flexibility and actions that promote continued safe and effective operation. We consider lessons learned about observational methods from an established framework focused on undesired actions and how these might be extended for a framework focused on desired actions.

safety↗

DOE OSTI2020

Data-based and secure switched cyber–physical systems

In this work, we develop a completely model-free moving target defense framework for the detection and mitigation of sensor and/or actuator attacks in cyber–physical systems with dynamics that evolve in discrete-time. We incorporate an intrusion detection mechanism based on an approximate dynamic programming technique that learns the policies for optimal regulation and optimal tracking while simultaneously defending against actuator and sensor attacks in a model-free fashion. Switching rules are leveraged to force proactive and reactive defense mechanisms as well as, guarantee the stability of the equilibrium point. Finally, as a case study, we apply the proposed moving target defense framework to a DC–DC converter that is used in electric vehicles.

42 ENGINEERING↗

DOE OSTI2020

Developing a common approach for classifying building stock energy models

Buildings contribute 40% of global greenhouse gas emissions; therefore, strategies that can substantially reduce emissions from the building stock are key components of broader efforts to mitigate climate change and achieve sustainable development goals. Models that represent the energy use of the building stock at scale under various scenarios of technology deployment have become essential tools for the development and assessment of such strategies. Within the past decade, the capabilities of building stock energy models have improved considerably, while model transferability and sharing has increased. Given these advancements, a new scheme for classifying building stock energy models is needed to facilitate communication of modeling approaches and the handling of important model dimensions. In this article, we present a new building stock energy model classification framework that leverages international modeling expertise from the participants of the International Energy Agency's Annex 70 on Building Energy Epidemiology. Drawing from existing classification studies, here we propose a multi-layer quadrant scheme that classifies modeling techniques by their design (top-down or bottom-up) and degree of transparency (black-box or white-box); hybrid techniques are also addressed. The quadrant scheme is unique from previous classification approaches in its non-hierarchical organization, coverage of and ability to incorporate emerging modeling techniques, and treatment of additional modeling dimensions. The new classification framework will be complemented by a reporting protocol and online registry of existing models as part of ongoing work in Annex 70 to increase the interpretability and utility of building stock energy models for energy policy making.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

Deep reinforcement learning based optimization for a tightly coupled nuclear renewable integrated energy system

New ways to integrate energy systems to maximize efficiency are being sought to meet carbon emissions goals. Nuclear-renewable integrated energy system (NR-IES) concepts are a leading solution that couples a nuclear power plant with renewable energy, hydrogen generation plants, and energy storage systems, such that thermal and electrical power are dispatchable to fulfill grid-flexibility requirements while also producing hydrogen and maximizing revenue. Here, this paper introduces a deep reinforcement learning (DRL)-based framework to address the complex decision-making tasks for NR-IES. The objective is to maximize revenue by generating and selling hydrogen and electricity simultaneously according to their time-varying prices while keeping the energy flow in the subsystems in balance. A Python-based simulator for a NR-IES concept has been developed to integrate with OpenAI Gym and Ray/RLlib to enable an efficient and flexible computational framework for DRL research and development. Three state-of-the-art DRL algorithms have been investigated, including two-delayed deep deterministic policy gradient (TD3), soft-actor critic (SAC), proximal policy optimization (PPO), to illustrate DRL’s superiority for controlling NR-IES by comparing it with a conventional control approach, particle swarm optimization (PSO). In this effort, PPO has shown more-stable performance and also better generalization capability than SAC and TD3. Comparisons with PSO have demonstrated that, on average, PPO can achieve 13.9% more mean episode returns from the training process and 29.4% more mean episode returns from the testing process when different hydrogen-production targets are applied.

08 HYDROGEN↗

NASA NTRS2011

Physical, Ecological, and Societal Indicators for the National Climate Assessment

The National Climate Assessment (NCA) is being conducted under the auspices of the U.S. Global Change Research Program (USGCRP), pursuant to the Global Change Research Act of 1990, Section 106, which requires a report to Congress every 4 years. The current NCA (http://globalchange.gov/what-we-do/assessment/) differs in multiple ways from previous U.S. climate assessment efforts, being: (1) more focused on supporting the Nation s activities in adaptation and mitigation and on evaluating the current state of scientific knowledge relative to climate impacts and trends; (2) a long-term, consistent process for evaluation of climate risks and opportunities and providing information to support decision-making processes within regions and sectors; and (3) establishing a permanent assessment capacity both inside and outside of the federal government. As a part of ongoing, long-term assessment activities, the NCA intends to develop an integrated strategic framework and deploy climate-relevant physical, ecological, and societal indicators. The NCA indicators framework is underdevelopment by the NCA Development and Advisory Committee Indicators Working Group and are envisioned as a relatively small number of policy-relevant integrated indicators designed to provide a consistent, objective, and transparent overview of major variations in climate impacts, vulnerabilities, adaptation, and mitigation activities across sectors, regions, and timeframes. The potential questions that could be addressed by these indicators include: How do we know that there is a changing climate and how is it expected to change in the future? Are important climate impacts and opportunities occurring or predicted to occur in the future? Are we adapting successfully? What are the vulnerabilities and resiliencies given a changing climate? Are we preparing adequately for extreme events? It is not expected that the NCA societal indicators would be linked directly to a single decision or portfolio of decisions, but subsets of indicators, or the data supporting the indicator, might be used to inform decision-making processes such as the development and implementation of climate adaptation strategies in a particular sector or region.

Kenney, Melissa A.↗

NASA NTRS2021

Climate Scenarios and Reality

Progress on the important issue of climate change requires a framework for evaluating the likely consequences of different courses of action. Science can powerfully inform public decisions on energy systems, infrastructure, and economic policy when researchers explore, using the best available evidence, a range of possible futures using emissions scenarios. The process of constructing, describing, and using these scenarios is challenging for many reasons. The continued evolution and improvement of emissions scenarios is an important element of the future of climate-change research. But in “How Climate Scenarios Lost Touch With Reality” (Issues, Summer 2021), Roger Pielke Jr. and Justin Ritchie are wildly off base in declaring that the “misuse of scenarios in climate research has become pervasive and consequential—so much so that we view it as one of the most significant failures of scientific integrity in the twenty-first century thus far.”

climate change↗

DOE OSTI2025

Mapping Rare Earths and Toxics in E-Waste via Hyperspectral Imaging and Machine Learning

Electronic waste (e-waste) presents a mounting challenge to environmental sustainability due to its complex composition, which includes high-value rare earth elements, hazardous organic compounds, and non-recyclable plastics. Accurate and scalable material classification is essential for enabling efficient resource recovery and safe recycling practices. This study introduces a confidence-aware classification pipeline that combines mid-infrared hyperspectral imaging (HSI), spectral angle mapping (SAM), and iterative machine learning to perform pixel-level material identification across e-waste devices. A curated spectral library encompassing artificial materials (e.g., plastic iron oxide, galvanized metals), minerals (e.g., allanite, hematite), and organic compounds (e.g., benzanthracene, toluene) was used to generate pseudo-labels, each assigned a confidence score based on SAM-derived spectral similarity. High-confidence samples from seven consumer electronics—digital cameras, keyboards, laptop fans, modems, motherboards, TV remotes, and speakers—were iteratively expanded and classified using models such as Support Vector Machine (SVM), Random Forest, Gradient Boosting Classifier, Partial Least Squares Discriminant Analysis (PLSDA) and Logistic Regression. The best-performing classifiers achieved macro F1 scores approaching 1.0. Results revealed widespread plastic content (dominated by plastic iron oxide), the presence of rare earth-bearing minerals like cerium-containing allanite, and pervasive detection of hazardous organics such as benzanthracene. Principal Component Analysis (PCA) visualizations and confusion matrices confirmed high separability and robust classification performance. This methodology enables precise, non-destructive, and scalable classification of heterogeneous e-waste streams. It supports automated, hazard-aware sorting in recycling workflows, facilitating selective recovery of critical materials and compliance with circular economy goals. The confidence-aware framework provides a foundation for real-time deployment in industrial settings, offering significant implications for smart e-recycling infrastructure and policy-driven material stewardship.

Circular economy↗

DOE OSTI2021

PowerGridworld: A Framework for Multi-Agent Reinforcement Learning in Power Systems [SWR-22-07]

NREL's PowerGridworld provides a modular simulation environment for training heterogenous, grid-aware, multi-agent reinforcement learning (RL) policies at scale. The package enables the user to create component gym environments that can be composed into more complex agents. For example, a grid interactive building environment can be created by composing together component environments each encapsulating the building, PV, and battery physics. These multi-component environments can then be combined into multi-agent simulation where each agent's power consumption/injection becomes an input for solving the optimal power flow on a distribution feeder modeled in OpenDSS. Information from OpenDSS, such as bus voltages and line flows, can be included in the agents' observation spaces to enable grid-aware rewards. The default API for the PowerGridworld simulator conforms to RLLib's MultiAgent API and thus enables distributed training using HPC and cloud resources.

Biagioni, David↗

DOE OSTI2023

A Self-Sustained CPS Design for Reliable Wildfire Monitoring

Continuous monitoring of areas nearby the electric grid is critical for preventing and early detection of devastating wildfires. Existing wildfire monitoring systems are intermittent and oblivious to local ambient risk factors, resulting in poor wildfire awareness. Ambient sensor suites deployed near the gridlines can increase the monitoring granularity and detection accuracy. However, these sensors must address two challenging and competing objectives at the same time. First, they must remain powered for years without manual maintenance due to their remote locations. Second, they must provide and transmit reliable information if and when a wildfire starts. The first objective requires aggressive energy savings and ambient energy harvesting, while the second requires continuous operation of a range of sensors. To the best of our knowledge, this paper presents the first self-sustained cyber-physical system that dynamically co-optimizes the wildfire detection accuracy and active time of sensors. The proposed approach employs reinforcement learning to train a policy that controls the sensor operations as a function of the environment (i.e., current sensor readings), harvested energy, and battery level. Here, the proposed cyber-physical system is evaluated extensively using real-life temperature, wind, and solar energy harvesting datasets and an open-source wildfire simulator. In long-term (5 years) evaluations, the proposed framework achieves 89% uptime, which is 46% higher than a carefully tuned heuristic approach. At the same time, it averages a 2-minute initial response time, which is at least 2.5× faster than the same heuristic approach. Furthermore, the policy network consumes 0.6 mJ per day on the TI CC2652R microcontroller using TensorFlow Lite for Micro, which is negligible compared to the daily sensor suite energy consumption.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Poster: Responsible Adoption of Artificial Intelligence (AI) in Electric Grid Operations

The rapid integration of artificial intelligence (AI) in the utility transmission and distribution (T&D) sector is revolutionizing traditional grid management practices. As utilities encounter complexities from evolving consumer behaviors and energy integration, AI becomes a critical solution for enhancing grid monitoring, fault detection, and operational optimization. However, increased reliance on interconnected technologies introduces significant cybersecurity risks, regulatory compliance challenges, and human factors concerns. This study proposes a strategic, responsible and consequence-driven approach to AI implementation, examining the dual nature of AI adoption by highlighting its transformative benefits for utilities and associated risks. It provides utilities with a framework for evaluating AI integration, enabling them to navigate challenges and capitalize on opportunities to achieve greater reliability, efficiency, and resilience in an increasingly complex energy landscape.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2010

The Use of Remote Sensing Data for Advancing America's Energy Policy

After briefly reviewing America's Energy Policy laid out by the Obama Administration, we outline how a Global Carbon Observing System designed to monitor Carbon from space can provide the necessary data and tools to equip decision makers with the knowledge necessary to formulate effective energy use and practices policy. To stabilize greenhouse gas emissions in the atmosphere in a manner that it does not interfere with the Earth's climate system (which is one of the goals of United Nations Framework for Convention on Climate Change) requires vastly improved prediction of the atmospheric carbon dioxide (CO2) concentrations. This in torn requires a robust understanding of the carbon exchange mechanisms between atmosphere, land, and oceans and a clear understanding of the sources and sinks (i.e. uptake and storage) of CO2. We discuss how the Carbon Observing System from space aids in better understanding of the connection between the carbon cycle and climate change and provides more accurate predictions of atmospheric CO2 concentration. It also enables implementation of greenhouse gas (GHG) mitigation policies such as cap and trade programs, international climate treaties, as well as formulation of effective energy use policies.

Valinia, Azita↗

DOE OSTI2022

A Hierarchical Framework for CO2 Storage Capacity in Deep Saline Aquifer Formations

Carbon dioxide (CO 2 ) storage in deep saline aquifers is a vital option for CO 2 mitigation at a large scale. Determining storage capacity is one of the crucial steps toward large-scale deployment of CO 2 storage. Results of capacity assessments tend toward a consensus that sufficient resources are available in saline aquifers in many parts of the world. However, current CO 2 capacity assessments involve significant inconsistencies and uncertainties caused by various technical assumptions, storage mechanisms considered, algorithms, and data types and resolutions. Furthermore, other constraint factors (such as techno-economic features, site suitability, risk, regulation, social-economic situation, and policies) significantly affect the storage capacity assessment results. Consequently, a consensus capacity classification system and assessment method should be capable of classifying the capacity type or even more related uncertainties. We present a hierarchical framework of CO 2 capacity to define the capacity types based on the various factors, algorithms, and datasets. Finally, a review of onshore CO 2 aquifer storage capacity assessments in China is presented as examples to illustrate the feasibility of the proposed hierarchical framework.

58 GEOSCIENCES↗

DOE OSTI2021

Defender Policy Evaluation and Resource Allocation against MITRE ATT&CK Data and Evaluations

Protecting against multi-step attacks of uncertain duration and timing forces defenders into an indefinite, always ongoing, resource-intensive response. To effectively allocate resources, a defender must be able to analyze multi-step attacks under assumption of constantly allocating resources against an uncertain stream of potentially undetected attacks. To achieve this goal, we present a novel methodology that applies a game-theoretic approach to the attack, attacker, and defender data derived from MITRE´s ATT&CK ® Framework. Time to complete attack steps is drawn from a probability distribution determined by attacker and defender strategies and capabilities. This constraints attack success parameters and enables comparing different defender resource allocation strategies. By approximating attacker-defender games as Markov processes, we represent the attacker-defender interaction, estimate the attack success parameters, determine the effects of attacker and defender strategies, and maximize opportunities for defender strategy improvements against an uncertain stream of attacks. This novel representation and analysis of multi-step attacks enables defender policy optimization and resource allocation, which we illustrate using the data from MITRE´ s APT3 ATT&CK ® Framework.

97 MATHEMATICS AND COMPUTING↗