Preliminary Proof of Concept for Community Use of Artificial Intelligence During Air Quality Incident Response
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Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling as Catalysts for Next-Generation Breakthroughs
The Presidential Symposium (PRES) at the 2025 Fall Meeting, hosted by the President’s Office and Energy and Fuels Division, American Chemical Society (ACS) in Washington, DC, brought together a diverse group of chemists, engineers, and materials scientists working in battery materials & systems, automation and artificial intelligence from academia, industry, and national laboratories. The accelerating demand for high-performance, scalable, and sustainable energy storage has catalyzed a paradigm shift in how materials are dis-covered, devices are engineered, and systems are optimized. This Presidential Symposium, entitled “Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling Driving Next-Gen Breakthroughs”, brings together global leaders to unveil transformative strategies anchored in the AAA framework: Artificial Intelligence, Automation, and Advanced Modeling. Artificial Intelligence is redefining the frontiers of energy storage by enabling predictive design, real-time optimization, and intelligent control across diverse chemistries and architectures. Automation is streamlining the synthesis, characterization, and testing of battery materials, dramatically accelerating innovation cycles and unlocking scalable solutions for grid and mobility applications. Advanced Modeling, spanning atomic to system-level scales, provides unprecedented insight into electrochemical dynamics, degradation pathways, and thermal behavior, particularly when coupled with physics-informed machine learning and digital twin technologies. Digital twins, in turn, leverage the AAA framework by integrating real-time data, physics-based models, and AI predictions into dynamic virtual replicas, enabling proactive diagnostics, optimization, and system resilience. Together, these synergistic pillars are not only re-shaping the scientific landscape but also forging a new era of reproducible, data-driven, and resilient energy storage innovation. In conclusion, this symposium marks a pivotal moment in the convergence of computational intelligence and experimental rigor, charting the course for next-generation breakthroughs in lithium-ion, solid-state, and flow battery technologies.
Artificial Intelligence (AI)↗
Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science [Slides]
Machine intelligence has the potential to revolutionize materials science, enabling autonomous synthesis, self-driving characterization, and accelerated modeling. However, despite the promise, successful implementation of these methods in day-to-day research remains a challenge. This talk will delve into the reasons behind this, exploring how truly intelligent experiments are hindered by opaque experiment control, a lack of domain-specific models, and human-centric design. Through a focus on the characterization of next-generation microelectronics and energy storage materials, I will share insights from both successful and failed attempts to implement machine intelligence. We will then explore the next steps necessary to unlock the full potential of machine intelligence in materials science, creating a future where intelligent systems work seamlessly alongside researchers to drive innovation and discovery.
36 MATERIALS SCIENCE↗
Automated Generation of Graph-based Cyber Threat Intel
With the advancement of AI technology and tools, specifically in the cybersecurity domain, both cyber defenders and threat actors are continuously adapting the use of these capabilities to expedite their operations. With this phenomenon, threat intelligence that is up to date, refreshable, and has relevant context to a specific threat becomes more and more important as it enables cybersecurity professionals to gain insight into relevant data and relationships to guide their operations. This project enables users to frequently aggregate threat intelligence from various sources, such as vendor vulnerability advisories affecting critical infrastructure, malware reports, and adversary writeups into a centralized, standardized database. The project utilizes the Structured Threat Intelligence eXpression (STIX) for a standardized, shareable threat intelligence data format and Neo4j as a graph database solution to store STIX nodes and relationships. Initial results of the project include datasets of over 8,000 nodes and 20,000 relationships extracted from over 500 data sources that have been released within the past month.
Threat Intelligence↗
Modular Autonomous Experimentation for Biological Applications
The Modular Autonomous Research System (MARS) was created to address a key challenge in scientific discovery: experiments are often slow, require significant manual labor, and generate data that is not easily integrated across different tools. This limits how quickly scientists can explore new materials, processes, and chemical reactions. Our motivation was to design a system that makes research faster, more reliable, and adaptable by combining automation with artificial intelligence. By doing so, we aimed to reduce human error, accelerate discovery, and allow researchers to quickly test many possibilities that would otherwise take months or years. Our approach was to build a flexible platform that connects laboratory robots, measurement instruments, and a central data system, all guided by artificial intelligence. MARS integrates liquid handling robots, robotic arms, and plate readers with an intelligent decision-making system that chooses the most informative experiments to run next. This creates a closed loop where experiments are performed automatically, the data is analyzed in real time, and new conditions are immediately tested. Through this work, we demonstrated that MARS can carry out multiple experiments with little or no human intervention, adapt to different scientific problems, and handle uncertain or noisy measurements in a robust way. The results show that modular and intelligent automation can significantly accelerate the pace of discovery, providing a model for future self-driving laboratories. This approach addresses the growing scientific need for adaptable, data-driven research platforms that can keep up with the complexity and scale of modern science.
59 BASIC BIOLOGICAL SCIENCES↗
Leveraging generative AI for urban digital twins: a scoping review on the autonomous generation of urban data, scenarios, designs, and 3D city models for smart city advancement
The digital transformation of modern cities by integrating advanced information, communication, and computing technologies has marked the epoch of data-driven smart city applications for efficient and sustainable urban management. Despite their effectiveness, these applications often rely on massive amounts of high-dimensional and multi-domain data for monitoring and characterizing different urban sub-systems, presenting challenges in application areas that are limited by data quality and availability, as well as costly efforts for generating urban scenarios and design alternatives. As an emerging research area in deep learning, Generative Artificial Intelligence (GenAI) models have demonstrated their unique values in content generation. This paper aims to explore the innovative integration of GenAI techniques and urban digital twins to address challenges in the planning and management of built environments with focuses on various urban sub-systems, such as transportation, energy, water, and building and infrastructure. The survey starts with the introduction of cutting-edge generative AI models, such as the Generative Adversarial Networks (GAN), Variational Autoencoders (VAEs), Generative Pre-trained Transformer (GPT), followed by a scoping review of the existing urban science applications that leverage the intelligent and autonomous capability of these techniques to facilitate the research, operations, and management of critical urban subsystems, as well as the holistic planning and design of the built environment. Based on the review, we discuss potential opportunities and technical strategies that integrate GenAI models into the next-generation urban digital twins for more intelligent, scalable, and automated smart city development and management.
3D city modeling↗
Securing the Modern Grid: Federal Investments, Digitization, and Supply Chain Strategy
Across the United States (U.S.) grid expansion and modernization is underway, paving the way for accelerated load growth and intelligent resource management. Digitization of the grid is supported by several state and federal programs, providing support for utilities installing advanced metering infrastructure (AMI), AI-powered analytics systems, battery energy storage systems (BESS), and distributed energy resource management systems (DERMS) to transform the grid from a one-way power delivery system into an intelligent, responsive network that will enable faster load growth and power expansion of data centers for advanced artificial intelligence (AI) applications. The digital transformation of America's grid presents opportunity for increased efficiency and resiliency but also introduces new digital risks that require careful management. Digital equipment often contains several vulnerabilities such as unencrypted communication protocols, and persistent remote access capabilities that could be exploited to manipulate device settings, coordinate service disruptions, or inject false data into grid operations. These digital risks become particularly important as the grid must rapidly scale to support AI-driven data centers, which the administration has identified as essential for maintaining U.S. technological leadership and economic competitiveness. These vulnerabilities are compounded by supply chain realities: Chinese manufacturers currently produce 70-90% of essential grid components including inverters, batteries, and control systems, with the U.S. lacking domestic manufacturing capacity for critical assets like extra-high voltage transformers. Recent federal legislation has established Foreign Entity of Concern (FEOC) restrictions to address these risks, requiring projects to achieve escalating thresholds of non-FEOC content to receive tax credits while utilities work to expand sourcing channels for their supply chains and strengthen security measures. These restrictions arrive precisely when utilities face unprecedented electricity demand growth driven by the rapid growth in data centers, creating a considerable challenge: rapidly expanding infrastructure while navigating complex compliance requirements while lacking viable alternatives for many critical components. Idaho National Laboratory (INL) and its partners have developed practical approaches to help utilities navigate these intersecting challenges as they leverage federal investment to strengthen and grow the grid. These solutions include Cyber-Informed Engineering (CIE) principles that build resilience directly into systems, the Cirrus tool for secure cloud migration, and enhanced procurement guidance that embeds security requirements throughout equipment lifecycles. Federal initiatives, such as the Technical Assistance for Digital Assurance (TADA) project, provide direct support to utilities implementing these approaches while facilitating knowledge sharing across the industry. While these tools and frameworks cannot eliminate all risks inherent in foreign supply chain dependencies, they offer pragmatic pathways for strengthening security posture without sacrificing the deployment momentum essential to meeting surging electricity demand. Ultimately, securing America's digital energy infrastructure demands dedicated coordination across multiple fronts: building domestic supply chains, implementing robust digital assurance practices, and maintaining the aggressive modernization timeline necessary for reliability, resilience, and energy independence.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Advancing Building Energy Modeling with Large Language Models: Exploration and Case Studies
The rapid progression in artificial intelligence has facilitated the emergence of large language models like ChatGPT, offering potential applications extending into specialized engineering modeling, especially physics-based building energy modeling. This paper investigates the innovative integration of large language models with building energy modeling software, focusing specifically on the fusion of ChatGPT with EnergyPlus. A literature review is first conducted to reveal a growing trend of incorporating large language models in engineering modeling, albeit limited research on their application in building energy modeling. We underscore the potential of large language models in addressing building energy modeling challenges and outline potential applications including simulation input generation, simulation output analysis and visualization, conducting error analysis, co-simulation, simulation knowledge extraction and training, and simulation optimization. Three case studies reveal the transformative potential of large language models in automating and optimizing building energy modeling tasks, underscoring the pivotal role of artificial intelligence in advancing sustainable building practices and energy efficiency. The case studies demonstrate that selecting the right large language model techniques is essential to enhance performance and reduce engineering efforts. The findings advocate a multidisciplinary approach in future artificial intelligence research, with implications extending beyond building energy modeling to other specialized engineering modeling.
building energy modeling↗
AI-based Cyber Event OSINT via Twitter Data
Open-Source Intelligence (OSINT) is largely regarded as a necessary component for cybersecurity intelligence gathering to secure network systems. With the advancement of artificial intelligence (AI) and increasing usage of social media, like Twitter, we have a unique opportunity to obtain and aggregate information from social media. In this study, we propose an AI-based scheme capable of automatically pulling information from Twitter, filtering out security-irrelevant tweets, performing natural language analysis to correlate the tweets about each cybersecurity event (e.g., a malware campaign), and validating the information. This scheme has many applications, such as providing a means for security operators to gain insight into ongoing events and helping them prioritize vulnerabilities to deal with. To give examples of the possible uses, we present three case studies demonstrating the event discovery and investigation processes.
Dale, Dakota↗
The (R)evolution of Scientific Workflows in the Agentic AI Era: Towards Autonomous Science
Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show exciting new opportunities that can accelerate scientific discovery by providing intelligence as a component in the ecosystem. However, it is unclear how this new capability would materialize and integrate in the real world. To address this, we propose a conceptual framework where workflows evolve along two dimensions which are intelligence (from static to intelligent) and composition (from single to swarm) to chart an evolutionary path from current workflow management systems to fully autonomous scientific laboratories. With these trajectories in mind, we present an architectural blueprint that can help the community take the next steps towards harnessing the opportunities in autonomous science with the potential for 100x discovery acceleration and transformational scientific workflows.
Shin, Woong [ORNL] (ORCID:0000000172077814)↗
Vulcan-Forge: Architecture and Design of a Multi-Modal Forensic Analysis Plugin for CALDERA
Forge and VULCAN together describe an open-architecture cybersecurity analysis ecosystem that unifies forensic artifact processing, detection engineering, and vulnerability intelligence within integrated platforms. Forge operates as a plugin for MITRE CALDERA, ingesting diverse evidence formats—including EVTX, PCAP/PCAPNG, CSV, JSON, YAML, XML, binaries, and archives—to construct a unified artifact graph enriched with severity scoring, TLP classification, and audit trails. It provides subsystems for artifact parsing, streaming structured-data visualization, NetworkMiner-based packet inspection, PE/.NET binary analysis, and LLM-assisted triage and rule generation, with outputs validated against CCCS-YARA and pySigma schemas. VULCAN complements this by serving as a cybersecurity analyst platform that integrates a Neo4j knowledge graph, Qdrant vector retrieval, SSVC-based triage, and a local LLM to deliver CVE intelligence and forensic analysis through a multi-source ingest pipeline drawing from NVD, CISA KEV, EPSS, MITRE ATT&CK, and CAPEC. Together, they bridge structured threat intelligence with automated forensic analysis and detection workflows.
97 MATHEMATICS AND COMPUTING↗
IM3 + EPRI Data Center Load Projections
This dataset contains scenarios of hourly total electricity demand with and without projected loads from data centers over the period 2022-2040. The root projections without data center demands are identical to those documented in Burleyson et al. 2024. In short, those projections encompass hourly electricity demands for 54 Balancing Authorities (BAs) in the United States across a range of eight of weather and socioeconomic scenarios. Refer to the root dataset and accompanying publication, Burleyson et al. 2025, for information about how those projections were generated. For this derivative dataset we used the base loads from the following scenarios: rcp45hotter_ssp3 rcp45hotter_ssp5 rcp85hotter_ssp3 rcp85hotter_ssp5 The root load projections did not reflect the drastic expansion of data centers that has occurred in the last several years to support artificial intelligence and cloud computing. To reflect growth in data center demand, a second set of load projections were created in which we layered in additional data center load projections based on the data center load growth scenarios described in a 2024 report by the Electric Power Research Institute (EPRI): "Powering Intelligence: Analyzing Artificial Intelligence and Data Center Energy Consumption". The EPRI projections from the report are included in this dataset (EPRI_2024_Projections.xlsx). That report contained annual state-level data center load projections for four year-over-year growth rates for data center demands: Low (3.71% annual growth) Moderate (5% annual growth) High (10% annual growth) Higher (15% annual growth) To homogenize the load projections with and without data centers we had to get them to a common scale. The first step was to take the EPRI annual state-level data center energy consumption values and convert them to 8760-hr loads for each year. We did that by assuming a flat (e.g., not weather- or time-sensitive) load profile and distributing the data center loads in each state evenly across all hours in a year. From there the loads were downscaled from the state-level to the county-level using 2019 county-level populations as weights. Finally, the county-level hourly data center loads were summed to the BA-level using the county-to-BA mapping underpinning the root load projections. The net result is 16 (4 weather and socioeconomic scenarios crossed with 4 data center load growth scenarios) unique load projections for the period 2022-2040. The file format follows that of the root dataset with a single additional column "Scaled_TELL_BA_Load_with_DC_MWh" that contains the hourly loads with the added data center loads for a given BA-year-scenario combination. Please refer to the readme file in the root dataset for more information on the file format.
Burleyson, Casey [Pacific Northwest National Labor↗
Intern Poster: STIG Shouldn't Drop ACID
STIG (Structured Threat Intelligence Graph) is an open-source graph database tool from INL. It’s used to create and process cyber intelligence graphs, which are shared in the cyber threat intelligence community and used to train INL machine learning products like @DisCo. For quality machine learning and critical infrastructure defense, STIG’s database must be ACID: Atomic, Consistent, Isolated, Durable. Various ACID tests were designed and applied to STIG to ensure its behavior follows these properties.
99 - GENERAL AND MISCELLANEOUS↗
Uncertainty-Aware and Explainable Human Error Detection in the Operation of Nuclear Power Plants
The timely and accurate identification of incidents, such as human factor error, is important to restore nuclear power plants (NPPs) to a stable state. However, the identification of abnormal operating conditions is difficult because of the existence of multiple scenarios. In addition, to implement mitigation actions rapidly after an incident occurs, operators must accurately identify an incident by monitoring the trends of many variables. The mental burden posed by this can increase human error and cause failure in identifying incidents. Failure to identify incidents directly results in erroneous mitigation measures, which are detrimental to NPPs. In this study, we leverage uncertainty-aware models to identify such errors and thereby increase the chances of mitigating them. We use the data collected from a physical test bed. The goal is to identify both certain and accurate models. For this, the two main aspects of focus in this study are explainable artificial intelligence (XAI) and uncertainty quantification (UQ). While XAI elucidates the decision pathway, UQ evaluates decision reliability. Their integration paints a comprehensive picture, signifying that understanding decisions and their confidence should be interlinked. Thus, in this study we leverage UQ measures (e.g. entropy and mutual information) along with Shapley additive explanations to gain insights into the features contributing to both accuracy and uncertainty in error identification. Furthermore, our results show that uncertainty-aware models combined with XAI tools can explain the artificial intelligence–prescribed decisions, with the potential of better explaining errors for the operators.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Large language models for batteries
Large Language Models (LLMs) are advanced artificial intelligence systems capable of solving diverse tasks using language, reasoning, and external tools. Despite their growing deployment in academia and industry, their potential remains underexplored in battery research. This review presents a comprehensive overview of existing and emerging applications of LLMs in batterie field, addressing two critical questions: What can LLMs offer to support battery-related tasks, and how to develop more effective models for this purpose. We begin by outlining the principles of LLMs and criteria for selecting appropriate models and tools for battery research and development. We then explore their roles in text-mining, data interpretation, and the development of intelligent battery systems. In parallel, we discuss technical challenges, such as data standardizing and sharing, model evaluation, and tool integration. Lastly, we propose future research directions with short-, medium-, and long-term goals and highlight more broad perspectives for connecting experts and cross-disciplinary collaborations.
SoC↗
SWARM: Reimagining scientific workflow management systems in a distributed world
Modern scientific workflows process massive amounts of data from diverse instruments and sensors, leveraging geographically distributed, heterogeneous compute and storage resources—from leadership-class systems to edge devices—connected by high-performance networks. The diversity of resources introduces challenges in harnessing their full potential, with resilience issues arising across applications, system software, networks, storage, and hardware. Today, workflow management systems (WMS) coordinate the execution of computation and data management tasks across target resources. However, WMS’s centralized nature makes them vulnerable to faults and scalability issues that may result in failures of entire computational campaigns. In conclusion, this paper introduces a novel agentic framework for workflow management, fully distributing and decentralizing the WMS functions and modeling them as swarm intelligence agents infused with advanced artificial intelligence solutions and traditional distributed computing algorithms that can make coordinated decisions in the presence of failures of the underlying cyberinfrastructure.
Swarm intelligence↗
Workshop Summary Report on Using AI Tools to Improve the Efficiency and Outcomes of the NEPA Process: AI for Permitting Workshop at the 2025 National Association of Environmental Professionals (NAEP) Annual Conference
On April 29, 2025, the U.S. Department of Energy and Pacific Northwest National Laboratory hosted a workshop at the National Association of Environmental Professionals 2025 Conference and Training Symposium in Charleston, South Carolina, titled, “Effective and Responsible Use of Customized AI Tools to Improve the Efficiency and Outcomes of the NEPA Process.” The objectives of this workshop were to make environmental practitioners aware of the potential for using artificial intelligence in the National Environmental Policy Act process, demonstrate examples of how artificial intelligence can be integrated effectively to improve efficiency and outcomes and solicit questions and feedback from practitioners. This report summarizes the key points from all talks and case studies, as well as audience questions and feedback on the presentation topics and the broader topic of "AI in permitting". The report concludes by highlighting the key barriers and opportunities for the implementation of AI in permitting, as discussed during the workshop.
54 ENVIRONMENTAL SCIENCES↗
MSD CoP Webinar: AI and Extreme Events - Overcoming Data Challenges for Improved Characterization of Climate Extremes
Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Abstract: Artificial Intelligence (AI) models require large volumes of data for training and testing. Data requirements present challenges for using AI to explore extreme events with limited observational data. This webinar will showcase two innovative methods developed by part of the European Climate Intelligence (CLINT) project to overcome data challenges and harness AI to improve our understanding of climate extremes. Dr. Ascenso will present his research on data augmentation methods to improve estimates of tropical cyclones using satellite data. His presentation will review established methods for data augmentation and explore opportunities and challenges for using generative AI to generate images of extreme, life-threatening tropical cyclones. Next, Dr. Plesiat will present his research on deep learning techniques to overcome limited observational data sets. His presentation will illustrate deep learning methods to develop AI reconstructions of four climate indices across Europe. Presenters : Dr. Guido Ascenso (post-doctoral researcher, Politecnico di Milano); Dr. Étienne Plésiat (German Climate Computing Centre - DKRZ) Moderator(s): Stefano Galelli (MSD CoP WG Co-Lead), David Gold (MSD CoP WG Co-Lead), Jillian Sturtevant (MSD CoP WG Communications Officer), Matteo Giuliani (Politecnico di Milano, MSD CoP WG Member, Moderator and Organizer) This webinar was held on: October 11, 2024 from 11AM - 1PM ET
AI↗