Search NASA⌕ Search

SEARCH · Search NASA

Results for “AI”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Social Bias in AI and its Implications

Previous studies have documented many different types of biases that exist in artificial intelligence (AI) and machine learning (ML) systems. We reviewed the literature on AI and ML bias with a focus on social implications and found that bias in AI and ML can potentially have harmful social impacts on individuals and/or groups of people. By affecting people differently according to characteristics such as race, gender, or sexual orientation, AI and ML systems may lead to harm by exacerbating social inequities. We recount examples of issues that have occurred in systems that use technology that might be used at NASA and elsewhere so that similar issues might be identified and mitigated in future systems. We also provide interested parties with a gateway into existing work on social bias in AI and ML systems.

artificial intelligence (AI)↗
NASA NTRS2023

AI-3000K Infrared Line List for Hot CO 2

AI-3000K is a semi-empirical IR line list constructed for hot CO 2 spectra analysis and simulation up to 3000 – 4000 K. Compared to previously published Ames-1000K and UCL-4000, it represents a major upgrade, utilizing a new algorithm for optimization and including the latest improvements in potential energy surface (PES), dipole moment surface (DMS), and room temperature IR line list (Ames-2021 296K). To maximize the success of introducing experimental based accurate line positions, a new PES (X01d) was refined with respect to >800 selected CDSD2019 [Tashkun et al. JQSRT (2019) 228, 124] energy levels in the range of 0 – 24,000 cm -1 , with σ rms = 0.5 – 0.7 cm -1 . Most differences between the X01d PES based levels and CDSD2019 energies are within ± 2 cm -1 . A new DMS is fitted from extrapolated CCSD(T)/aug-cc-pV(T,Q,5)Z dipole calculations, with σ rms = 5.1 × 10 -6 au for 11,155 geometries up to 40,000 cm -1 , denoted Ames-2021–40K. Compared to the best available Ames-2021 DMS and room temperature IR line list [Huang et al J. Phys. Chem. A (2022) 126, 5940], the relative intensity differences are expected to be ∼ 1 ‰. The line position accuracy of ''X01d + Ames-2021–40K'' IR line list is significantly improved by adopting CDSD2019 energy levels up to 24,000 cm -1 (J ≤ 150). The Einstein A21 coefficients for E' < 15,000 cm -1 transitions are replaced by more accurate values from the Ames-2021 296K IR line list. In short, the AI-3000K is the X01d PES and Ames-2021–40K DMS based line list enhanced with the A 21 of Ames-2021 296K line list and CDSD energy levels. It provides continuous coverage from 0 to 20,000 cm -1 for the four most abundant isotopologues: 12 C 16 O 2 (626), 13 C 16 O 2 (636), 16 O 12 C 18 O (628), and 16 O 12 C 17 O (627). The impacts of isotopologue and E'/E'' cutoffs have been examined. Intensity convergence (not accuracy) of AI-3000K line list is quantitatively estimated in 1 cm -1 bins. It is better than 99% in the whole range of 0 – 20,000 (or 10,000) cm -1 at 1000 K (or 2000 K), or better than 90% in the whole range of 0 – 15,000 (or 9000) cm -1 at 2000 K (or 3000 K), respectively. Convergence beyond 3000 K will require a new PES and DMS for E' > 40,000 cm -1 . The AI-3000K and HITEMP based IR simulations are compared to high resolution shock tube experiments for CO 2 -Ar mixture up to 2000 K. With line position accuracy comparable to that of HITEMP, AI-3000K IR line list yields better agreements at more frequencies. Potential sources of discrepancies with experiment are discussed.

AI-3000K↗
DOE OSTI2023

Responsibly Harnessing the Power of AI

Artificial Intelligence (AI) based applications are on the cusp of offering the public and private sectors tools of tremendous potential that will likely transform the world in much the same way that previous technological revolutions have. To harness these tools, a vast and rapidly increasing assortment of ethical AI guidelines and principles are being developed to manage the myriad of risks these tools pose. Documents, frameworks, standards, and regulations have been developed by private industry, research institutions, governments and nongovernmental organizations, international standards bodies and more. This work details representative approaches to ethically developing, managing, and operating current AI technologies. The various approaches are analyzed for commonality, divergence, and implementation strategy to help develop approaches for managing AI tools in the nuclear landscape. This work will support the creation of a common vocabulary and a deeper understanding of the ethical/ responsible AI landscape and advance the considerations required for structured frameworks in the international safeguards domain.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2025

Multi-agent AI collaboration for digital twin development and assessment

Developing a digital twin (DT) model involves different steps that encompass formulating requirements, model development, implementation, and assessment with respect to real applications. Human expertise is required to coordinate and implement different steps in the DT development and assessment process. However, certain parts of this process can be automated using artificial intelligence (AI) agents for efficient workflow development. In this work, we test and analyze a multiagent AI collaboration with humans in the loop to automate different elements of the DT development and assessment process. To implement the workflow for multiagent AI DT development and assessment, we use Autogen, a multiagent framework developed by Microsoft. Autogen offers a modular and flexible framework for configuring and designing task-specific multiagent workflows. In this framework, large language models (LLMs) form the core intelligence of the AI agents where the quality and performance of the automated element is governed by the inherent capabilities and knowledge base of the LLM. We use retrieval augmented generation to supplement the LLM with relevant domain-specific information for DT requirement formulation. We illustrate this multiagent workflow using a case study on a thermal energy storage system, focusing on how AI agents can collaborate with humans to expedite and optimize different elements of DT development and assessment process.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
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↗
DOE OSTI2025

The Future of a Myriad of Accelerated Biodiscoveries Lies in AI‐Powered Mass Spectrometry and Multiomics Integration

The intersection of modern artificial intelligence (AI) and mass spectrometry (MS) is set to transform the MS‐based “omics” research fields, particularly proteomics, metabolomics, lipidomics, and glycomics, enabling advancements across a wide range of domains, from health to environment and industrial biotechnology. Beginning with an overview of key challenges inherent in MS software pipelines, this personal perspective explores how AI‐driven solutions can address them to enhance data processing, integration and interpretation. It proposes a paradigm shift in molecular identification and quantitation algorithms, leveraging AI to enable holistic interpretation of MS‐based multiomics data. While centered on MS‐based omics, this holistic AI‐driven paradigm is also critical for connecting dynamic biochemical changes to genomics and transcriptomics contexts, reinforcing the integrative value of MS in multiomics research. Ultimately, this AI‐driven approach could enhance efficiency, accuracy, and molecular breadth of coverage, deepening our systems‐level understanding of biological processes and accelerating a myriad of biodiscoveries.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Revolutionizing thermal Management in Next-Generation AI data centers: Challenges and breakthrough innovations

Data centers (DCs) serve as critical infrastructure for powering the growth and evolution of AI. Next-generation AI DCs present unique challenges in thermal management driven by unprecedented computational demands. This paper provides a comprehensive summary of key stakeholder perspectives on technology gaps, infrastructure requirements, test bed needs, emerging opportunities, and preliminary solutions related to thermal management for AI DCs. It establishes six strategic pillars of thermal management for next generation AI DC: reliability, deployability, efficiency, resilience, measurability, and valorization. The discussion spans a range of critical topics, including advanced cooling technologies, thermal strategies for emerging modular and edge DCs, system-level optimization and control frameworks, infrastructure planning and grid integration designs, benchmarking approaches, and pathways for waste heat recovery and reuse. The proposed research, development, and demonstration efforts are aimed at accelerating the deployment of AI DCs while ensuring energy efficiency, reliability, safety, and regulatory compliance.

Wang, Pengtao [ORNL] (ORCID:0000000214713429)↗
DOE OSTI2025

Toward more-robust, AI-enabled subsurface seismic imaging for geotechnical applications

Non-invasive seismic imaging has the potential to cost-effectively evaluate large volumes of subsurface material to inform geotechnical site investigation. However, seismic imaging using full waveform inversion (FWI) requires significant computational time and is dependent on an initial starting model. As a result, FWI has not yet been widely adopted into geotechnical practice. Previous efforts, on relatively simple two-layered models, indicate that data-driven artificial intelligence (AI) models may be as effective as FWI at predicting 2D images of shear wave velocity (V s ). Furthermore, the AI model predictions can be made almost instantaneously after data acquisition and do not require an initial starting model. We examine the generality of these findings by developing a new AI model for subsurface seismic imaging, whereby we make several notable contributions. First, we architect a multimodal AI model that combines time- and frequency-domain representations of the seismic wavefield to predict a 50 m by 20 m subsurface image of V s . Second, we developed a new diverse dataset of 100,000 images with their corresponding seismic wavefields to train the AI model. Third, we propose four physics-informed data augmentations for data-driven seismic imaging. Fourth, we develop two prediction consistency tests to evaluate the model’s performance when the true subsurface is unknown. Our final model, which has been made publicly available, is capable of predicting a subsurface V s image from a single seismic wavefield with an average, mean absolute percent error (MAPE) of 24 %. The predictive model is applied to a field dataset and shown to be consistent with local geology and shear-wave refraction measurements from the same location.

Artificial intelligence↗
DOE OSTI2024

QoS-aware edge AI placement and scheduling with multiple implementations in FaaS-based edge computing

Resource constraints on the computing continuum require that we make smart decisions for serving AI-based services at the network edge. AI-based services typically have multiple implementations (e.g., image classification implementations include SqueezeNet, DenseNet, and others) with varying trade-offs (e.g., latency and accuracy). The question then is how should AI-based services be placed across Function-as-a-Service (FaaS) based edge computing systems in order to maximize total Quality-of-Service (QoS). To address this question, we propose a problem that jointly aims to solve (i) edge AI service placement and (ii) request scheduling. These are done across two time-scales (one for placement and one for scheduling). Here we first cast the problem as an integer linear program. We then decompose the problem into separate placement and scheduling subproblems and prove that both are NP-hard. We then propose a novel placement algorithm that places services while considering device-to-device communication across edge clouds to offload requests to one another. Our results show that the proposed placement algorithm is able to outperform a state-of-the-art placement algorithm for AI-based services, and other baseline heuristics, with regard to maximizing total QoS. Additionally, we present a federated learning-based framework, FLIES, to predict the future incoming service requests and their QoS requirements. Our results also show that our FLIES algorithm is able to outperform a standard decentralized learning baseline for predicting incoming requests and show comparable predictive performance when compared to centralized training.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

AI Improves the Accuracy, Reliability, and Economic Value of Continental‐Scale Flood Predictions

Accurate flood early warnings are critical to minimize damage and loss of life. Current large‐scale operational forecasting systems, however, have limited accuracy, description of uncertainty, and computational efficiency. While Artificial intelligence (AI) can address these limitations in principle, the accuracy and reliability of AI forecasts have thus far proven insufficient. Here we present a novel hybrid framework that integrates AI‐based machinery termed Errorcastnet (ECN) with the National Water Model (NWM) to showcase the potential of ensemble AI flood forecasts over the contiguous U.S. ECN boosts prediction accuracy four‐ to six‐fold across lead times of 1–10 days, while providing uncertainty quantification. It also outperforms Google's state‐of‐the‐art global AI model. ECN‐based forecasts offer superior economic value (up to four‐fold) for decision‐making as compared to those from NWM alone. ECN performs well in varied ecoregions, physiography, and land management conditions. The framework is computationally efficient, enabling national‐scale ensemble forecasts in minutes.

artificial intelligence↗
DOE OSTI2022

FAIR principles for AI models with a practical application for accelerated high energy diffraction microscopy

Abstract A concise and measurable set of FAIR (Findable, Accessible, Interoperable and Reusable) principles for scientific data is transforming the state-of-practice for data management and stewardship, supporting and enabling discovery and innovation. Learning from this initiative, and acknowledging the impact of artificial intelligence (AI) in the practice of science and engineering, we introduce a set of practical, concise, and measurable FAIR principles for AI models. We showcase how to create and share FAIR data and AI models within a unified computational framework combining the following elements: the Advanced Photon Source at Argonne National Laboratory, the Materials Data Facility, the Data and Learning Hub for Science, and funcX, and the Argonne Leadership Computing Facility (ALCF), in particular the ThetaGPU supercomputer and the SambaNova DataScale ® system at the ALCF AI Testbed. We describe how this domain-agnostic computational framework may be harnessed to enable autonomous AI-driven discovery.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Errant Beam Detection Using the AMD Versal ACAP and Vitis AI

The prevalence of ML and AI-powered solutions along with the slowing of Moore's Law has given rise to novel hardware platforms aimed at accelerating ML and AI. While programming these hardware platforms can be difficult, particularly for non-hardware experts, hardware vendors provide high-level tooling in an effort to address this difficulty. The Versal ACAP is an SoC designed by AMD that combines CPU cores, FPGA fabric, and a tiled, vector architecture called an AI engine all on the same socket. In an effort to more easily program this heterogeneous system, AMD has provided the Vitis AI development stack. In this work, we leverage Vitis AI to program a Versal ACAP to perform errant beam detection in the Spallation Neutron Source at Oak Ridge National Laboratory. Our initial work shows that after quantization and compilation of the model for the Versal ACAP, the classification accuracy, as measured by the AUC metric, is over 95% accurate while achieving this accuracy in 46 microseconds on average.

Cabrera, Anthony↗
DOE OSTI2021

AI-Based Integrated Modeling and Observational Framework for Improving Seasonal to Decadal Prediction of Terrestrial Ecohydrological Extremes

Focal Areas: (1) Insight gleaned from complex data (both observed and simulated) using artificial intelligence(AI), big data analytics, and other advanced methods, including explainable AI and physics- or knowledge-guided AI (2) Data acquisition and assimilation enabled by machine learning, AI, and advanced methods including experimental/network design/optimization, unsupervised learning (including deep learning), and hardware-related efforts involving AI (e.g., edge computing).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

AI-Enabled Discovery and Physics-Based Optimization of Energy Efficient Processing Strategies for Advanced Turbine Alloys (Final Technical Report)

In this project, the multi-organizational team of academic and industrial researchers from the University of Kentucky an aerospace and energy generation OEM partner has leveraged novel Digital Process Twin (DPT) models of process/structure interactions (i.e., process-induced surface integrity) to advance a paradigm of fully integrated computational materials engineering (ICME). Using efficient process models as the core of a digital process simulator for a reinforcement learning algorithm, the team has integrated industrial data and metrics of structure/performance/energy relationships and manufacturing-related energy metrics to optimize dynamic processing parameters for significantly improved life-cycle energy efficiency of advanced γ-TiAl low-pressure turbine (LPT) alloys, as indicated by a set of design relevant parameters (e.g., residual stresses and scrap rate). The key objective and anticipated outcome of the project was at least a 10% reduction in life-cycle embodied energy for a recently developed, γ-TiAl low-pressure turbine (LPT) alloy and nickel-based superalloy Inconel 718, through the adoption of the proposed AI-enabled process optimization approach. The final project outcomes significantly exceeded this original target, realizing manufacturing-related energy efficiency improvements of more than 130% for TiAl and up to 80% for Inconel 718. Rather than following the prevailing and highly inefficient empirical paradigm, the proposed study demonstrated the feasibility of adopting a digital, physics-based process design and optimization paradigm. The recurring need for manual intervention, rework, reinspection causes significant production bottlenecks and unnecessary expense associated with delivering the requisite component quality. The OEM partner, and turbine industry in general, expect to reap significant cost and resource savings if an AI-optimized set of parameters can be applied to specific machining operations. The technical scope of the proposed project involved the paving of a realistic path towards model-based and AI-enabled Integrated Computational Materials Engineering (ICME), and away from inefficient empirical process optimization and legacy manufacturing practices, which are no longer able to efficiently process novel high-performance turbine alloy materials. The project team will address the fundamental knowledge gap that currently exists within the ICME paradigm with respect to the process/structure/performance/energy impacts of finishing processes. While significant resources have been devoted to the ‘early stages’ of manufacturing, such as alloy design, primary and secondary processing, finishing processes have not been adequately integrated within ICME. To provide an actionable path towards model-based finishing process design (e.g., machining, burnishing, grinding, polishing), we will employ a novel AI-enabled process optimization paradigm, based on a computationally efficient, physics-based process simulator. Through limited experimental work to calibrate and validate our process simulator model via an advanced in-situ characterization technique and process optimization via reinforcement learning, the project will seek to demonstrate a viable alternative to the inefficient ‘legacy’ processing strategies, empirical testing and broad scope machining learning approaches, all of which fail to adequately consider complex process physics. The project team has identified an intermetallic γ-TiAl LPT alloy, which is currently being used as part of the OEM partner’s advanced gas turbine designs. This particular alloy poses significant manufacturing challenges during finishing operations, which limit the degree to which the current turbine design can be manufactured in an energy- and cost-efficient manner. Empirical testing and numerical modeling efforts to optimize processing parameters for γ-TiAl have not been able to resolve these manufacturing challenges, so the proposed physics-based AI-enabled optimization technology would offer a truly novel and transformative capability. The multi-organizational team of academic and industry experts from the UKY and the OEM partner will work together closely to demonstrate the analytical and experimental critical function and characteristic proof of concept of this novel approach.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

Brochure for the DOE Office of Science Workshop on Envisioning Frontiers in AI and Computing for Biological Research

In February of 2025 a joint ASCR/BER workshop was held to identify key transformational research directions for understanding biology using artificial intelligence (AI), digital twins and high-performance (HPC) computational methods to facilitate scientific discovery and innovation in support of the Department of Energy mission. AI technologies offer exciting new groundbreaking methods to analyze large volumes of complex biological data, thereby greatly accelerating the ability to understand, predict, and design biological processes for beneficial purposes. In the laboratory, the bridging of AI-enabled automated experimental technologies, HPC and digital twins will provide potent tools for researchers to explore the fundamental nature of biology and harness its inherent metabolic potential for a variety of beneficial purposes. The focus of this workshop was on how high-performance computational methods can impact this objective by exploring digital twins, foundational models, and data-driven approaches with applications to advance automated laboratory experiments, modeling of complex living systems and engineering new functions into plants and microbial systems relevant to DOE mission. Workshop attendees with expertise in plant science, microbiology, mathematics, computer science, and AI assessed the current state of the science, trends, and AI challenges at the interface of plant and microbial systems biology and computational science to identify opportunities for high-impact research. This collaborative effort capitalized on ASCR's advancements in applied mathematics, computer science, and Exascale systems, and BER's expertise in basic genomics-enabled research on DOE relevant plant and microbial systems. The workshop culminated in four key priority research directions to guide future research and development within DOE Office of Science programs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Bridging the Gap Between Astronomical Datasets: From Proof-of-Concept to AI Model Deployment with Domain Adaptation

Artificial Intelligence is transforming astrophysics, from studying stars and galaxies to analyzing cosmic large-scale structures. However, a critical challenge arises when AI models trained on simulations or past observational data are applied to new observation— leading to domain shifts, reduced robustness, and increased uncertainty of model predictions. This talk will explore these issues, highlighting examples such as galaxy morphology classification and cosmological parameter inference, where AI struggles to adapt across different datasets. We will discuss domain adaptation as a strategy to improve model generalization and mitigate biases—essential for making AI-driven discoveries reliable. Notably, these challenges extend beyond astrophysics, affecting AI applications across physics and other scientific domains. Addressing them is essential for maximizing AI’s impact in advancing scientific research.

Ćiprijanović, Aleksandra [Fermilab]↗
DOE OSTI2025

From Data to Discovery: AI's Transformative Role in Thin Film Research

The advancement of thin film technologies is pivotal for progress in numerous fields, including energy, electronics, and quantum computing. However, the traditional trial-and-error approach to materials discovery is inherently slow and inefficient. This presentation will showcase how artificial intelligence (AI) is transforming thin film research by enabling a data-driven paradigm shift. We will highlight our past successes in applying AI to understand radiation damage in thin film oxides, demonstrating how graph analytics can unravel complex material behavior. Additionally, we will provide insights into our current work at the National Renewable Energy Laboratory, where we are leading the charge in autonomous materials science. Backed by a $14M investment in our characterization facility, we are developing AI-guided workflows that seamlessly integrate experimentation and AI-guided decision-making. By harnessing the power of AI, we aim to accelerate the discovery and design of high-performance thin films, propelling innovation across a multitude of industries.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Genesis Mission-Enabled Secure AI to Fortify Energy Process Safety (Genesis-SAFE)

Argonne National Laboratory is supporting the U.S. Department of Transportation’s (USDOT’s) Bureau of Transportation Statistics (BTS) with collaborative research on development and application of privacy preserving AI frameworks that leverage unmatched AI expertise and secure computing resources made available through the U.S. Genesis Mission1 . This research advances U.S. energy security goals by supporting a safe offshore energy industry with secure, domain-specific AI tools to analyze confidential industry datasets collected by BTS to rapidly improve identification of hazards, precursors, and systemic safety risks in high-risk operational environments. The staged, security-first approach begins with development and testing of Argonne’s Genesis Mission-enabled Secure AI to Fortify Energy Process Safety (Genesis-SAFE) framework within Argonne’s accredited secure computing enclave (ABLE) leveraging Argonne’s AI scientific assistant substrate (AISAC). Methods to build synthetic datasets were developed together with BTS for use in preparing synthetic datasets that can be used to validate data containment, governance, and security controls in the ABLE environment. Future research directions would focus on applying the Genesis-SAFE framework to CIPSEA-protected datasets entirely within ABLE to support confidentiality-preserving analysis of safety risks, trends, and contributing factors.

Kim, Hyekyung [Argonne National Laboratory (ANL), ↗