Search NASA⌕ Search

SEARCH · Search NASA

Results for “AI models”

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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

AI-Assisted Conceptual Development of a Pre-Geometric Cosmological Model - An Exercise in AI-Assisted Conceptual Framework Generation, Paper I: Foundations and Replication Dynamics

We develop a pre-geometric cosmological framework in which existence is identified with a finite amount of unstructured energy possessing vibration as its only intrinsic property. This vibrational substrate occupies an open, bounded spectral interval $(\omega_{\min},\omega_{\max})$, ensuring finiteness of total energy and excluding infinitely stable configurations. The substrate evolves under two fundamental and competing tendencies---excitation, which amplifies coherence, and randomization, which scrambles it. Their balance produces a metastable unstructured regime in which rare fluctuations may form long-lived self-consistent spectral configurations. Because the substrate is finite and subject to competing order--disorder dynamics, no coherent configuration can be perpetually stable. We show that the only mechanism capable of sustaining long-lived organization is a replication instability: a coherent unit may reproduce into multiple offspring according to a general $1\!\to n$ rule. Replication consumes energy from the finite substrate, breaks the metastable symmetry, and induces a discrete notion of event time through the replication tick $\Delta\tau$. Temporal succession is defined through correlation ordering of spectral microstates, producing an intrinsic pre-causal structure. The compactness of the spectral domain imposes minimal and maximal timescales, bounds the internal coherence of emergent units, and limits their proliferation. These spectral constraints serve as precursors for the emergence of geometry, adjacency, and a limiting propagation speed, developed in subsequent papers of this series. Paper I provides the foundational axioms (PG1--PG9) governing the spectral substrate, its metastable dynamics, the formation of coherent units, and the necessity of replication, establishing a fully pre-geometric stage from which causal and geometric structure naturally emerge.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

MCP-enabled agentic AI workflow for building energy modelling: framework and use cases

Traditional building energy modelling workflows remain labor-intensive and error-prone, requiring specialized expertise that limits broader adoption. This paper introduces a novel Model Context Protocol (MCP)-enabled framework that connects AI assistants to EnergyPlus through MCP, a standardized interface for tool invocation and context management. Two complementary integration paradigms are presented and compared: conversational integration, where users interact through natural language while an AI assistant orchestrates MCP tools on demand, and agentic workflow integration, where specialized agents coordinate autonomously to complete multi-step tasks. Using an experimental testbed for residential buildings, the end-to-end workflows are demonstrated. The conversational approach reduced typical inspection and modification tasks from 1-2 h to under 15 min, while maintaining full transparency through visible tool invocations. The agentic approach automated parametric analysis. These demonstrations establish MCP as a foundational layer for AI-assisted building energy modelling, enabling natural language interactions with simulation tools while preserving professional oversight and decision-making authority.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Black-Box Neural System Identification and Differentiable Programming to Improve Earth System Model Predictions February

Focal Area(s): Focal Area 2: AI for predictive modeling, including AI-derived model components, and AI-enabled applications including parameter optimization, data assimilation, and uncertainty quantification. Focal Area 1: AI-assisted data assimilation using numerical Earth system models. Science Challenge: Earth system models have structural biases that lead to uncertain predictions, and their complexity and expense makes it difficult constraining the models with data or improved physical understanding.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

AI-Based Analytics and Energy Modeling Framework for Characterizing Urban Energy Systems

Developing location-specific district energy models is essential for understanding energy patterns and supporting efficient management and planning decisions. However, accurately characterizing these models remains challenging due to gaps in building characteristics and labor-intensive traditional modeling workflows. To address these challenges, we develop an AI-based framework that integrates top-down and bottom-up building energy data to automate urban energy model characterization. The framework trains multimodal deep learning models using heterogeneous ResStockTM datasets to infer missing building characteristics from varying levels of known information and generate simulation-ready inputs for district-scale energy modeling. It also employs a conditioning-based injection approach to generate ”what-if” scenarios, enabling users to explore retrofit, efficiency, and technology-upgrade pathways. Integrated within URBANoptTM, a bottom-up district energy modeling platform for simulating co-located buildings, the framework infers detailed building-level inputs required for bottom-up simulations. Both localized and generalized AI models are developed to learn relationships across categorical, numerical, and time-series data, enabling reconstruction of missing attributes and generation of targeted upgrade scenarios. We demonstrate this methodology on a residential neighborhood in Baltimore, MD, assessing internal consistency against ResStock reference data and URBANopt simulation, and comparing selected attributes against real-world building characteristics. Results show strong overall predictive accuracy in data completion and scenario generation, with localized and generalized models offering complementary trade-offs between precision and scalability. Overall, our automated framework streamlines energy modeling and provides a reliable framework for urban building energy characterization.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Data-Centric AI and the Open Energy Data Initiative (OEDI)

This presentation emphasizes the critical importance of data-centric AI. The limitations of model-centric AI when dealing with poor or insufficient data are highlighted, and it is illustrated how training models on inaccurate or noisy data leads to suboptimal results. This talk advocates for a hybrid approach that combines a focus on data quality and model parameters to achieve optimal results. The Open Energy Data Initiative (OEDI) is introduced as a valuable resource for obtaining high-quality energy-related datasets, hosting nearly 2,000 publicly accessible datasets, including 99 solar-related datasets, totaling over 2.7 petabytes of data. OEDI's data lakes enable users to query and work with data without extensive transfers. In conclusion, the significance of data-centric AI and adherence to data curation best practices is emphasized, positioning OEDI as a prime source of high-quality data for AI and machine learning in the renewable energy sector.

AI↗
NASA NTRS1991

Search-based model identification of smart-structure damage

This paper describes the use of a combined model and parameter identification approach, based on modal analysis and artificial intelligence (AI) techniques, for identifying damage or flaws in a rotating truss structure incorporating embedded piezoceramic sensors. This smart structure example is representative of a class of structures commonly found in aerospace systems and next generation space structures. Artificial intelligence techniques of classification, heuristic search, and an object-oriented knowledge base are used in an AI-based model identification approach. A finite model space is classified into a search tree, over which a variant of best-first search is used to identify the model whose stored response most closely matches that of the input. Newly-encountered models can be incorporated into the model space. This adaptativeness demonstrates the potential for learning control. Following this output-error model identification, numerical parameter identification is used to further refine the identified model. Given the rotating truss example in this paper, noisy data corresponding to various damage configurations are input to both this approach and a conventional parameter identification method. The combination of the AI-based model identification with parameter identification is shown to lead to smaller parameter corrections than required by the use of parameter identification alone.

Glass, B. J.↗
DOE OSTI2021

A Hybrid Climate Modeling System Using AI-assisted Process Emulators

This white paper addresses Focus Area II. We advocate developing a hybrid modeling system to improve the understanding of decadal- and longer-scale predictability of high impact water cycle components. This hybrid model combines a partial differential equation (PDE)-based dynamic core with AI/ML based emulators to represent many of the computationally expensive processes in Earth’s climate models. The hybrid modeling system has the potential to exploit emerging graphics processing unit (GPU)-accelerated architectures and allows for the generation of large ensemble (~1000’s) simulations to better characterize the model uncertainty and understand predictability.

58 GEOSCIENCES↗
DOE OSTI2024

Harnessing large language models’ zero-shot and few-shot learning capabilities for regulatory research

Abstract Large language models (LLMs) are sophisticated AI-driven models trained on vast sources of natural language data. They are adept at generating responses that closely mimic human conversational patterns. One of the most notable examples is OpenAI's ChatGPT, which has been extensively used across diverse sectors. Despite their flexibility, a significant challenge arises as most users must transmit their data to the servers of companies operating these models. Utilizing ChatGPT or similar models online may inadvertently expose sensitive information to the risk of data breaches. Therefore, implementing LLMs that are open source and smaller in scale within a secure local network becomes a crucial step for organizations where ensuring data privacy and protection has the highest priority, such as regulatory agencies. As a feasibility evaluation, we implemented a series of open-source LLMs within a regulatory agency’s local network and assessed their performance on specific tasks involving extracting relevant clinical pharmacology information from regulatory drug labels. Our research shows that some models work well in the context of few- or zero-shot learning, achieving performance comparable, or even better than, neural network models that needed thousands of training samples. One of the models was selected to address a real-world issue of finding intrinsic factors that affect drugs' clinical exposure without any training or fine-tuning. In a dataset of over 700 000 sentences, the model showed a 78.5% accuracy rate. Our work pointed to the possibility of implementing open-source LLMs within a secure local network and using these models to perform various natural language processing tasks when large numbers of training examples are unavailable.

Biochemistry & Molecular Biology↗
DOE OSTI2021

Develop a weather-aware climate model to understand and predict extremes and associated power outages and renewable energy shortages with uncertainty-aware and physics-informed machine learning

Focal Area(s): The focus area is predictive modeling through the use of AI techniques and AI-derived model components with a particular emphasis on extreme weather in Atmospheric Science and power outages and shortages in Energy Science. Science Challenge: Predicting weather extremes (e.g., heavy precipitation, strong wind, and large hailstones), and weather-related power system outages and shortages can mitigate economic losses, save lives, support renewables integration, and improve power system resiliency. However, currently, the poor reliability and large uncertainty associated with the weather extreme prediction in the current climate models make the problem intractable. The key challenges are: (1) physical factors like green-house gases (GHGs), aerosols, and land use and land cover (LULC) can significantly impact extreme storms, but the understanding of these impacts is limited, particularly globally; (2) the convective permitting resolutions needed to model severe convective storms and their impacts are computationally prohibitive with global climate models (GCMs); (3) interactions between weather extremes and power system outages are complex and subject to great uncertainty. Current outage prediction models are short lead (~ 3 days), which do not allow for long-time planning of energy production and distribution. Moreover, we have limited capacity to predict weather events leading to sustained shortages in a renewable-energy-dominated power system. These challenges drive motivation for mechanistic understanding and reliable and efficient predictive modeling of extremes and their impacts from the sub-seasonal to long term projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Tencoder: tensor-product encoder-decoder architecture for predicting solutions of PDEs with variable boundary data

It is widely hoped that artificial intelligence will boost data-driven surrogate models in science and engineering. However, fundamental spatial aspects of AI surrogate models remain under-studied. We investigate the ability of neural-network surrogate models to predict solutions to PDEs under variable boundary values. We do not wish to retrain the model when the boundary values change but to make them inputs to the model and infer the solution of the PDE under those boundary conditions. Such a capability is essential to making AI-based surrogate models practically useful. While simple feedforward networks are used for one-dimensional (1D) Poisson equation, an encoder-decoder architecture with a tensor-product layer is developed for the two-dimensional Poisson equation posed on a rectangular domain. We show that it is indeed possible to infer solutions to PDEs from variable boundary data using neural networks in this relatively simple setting, and point to future directions.

Kashi, Aditya↗
DOE OSTI2024

Effectiveness of denoising diffusion probabilistic models for fast and high-fidelity whole-event simulation in high-energy heavy-ion experiments

Artificial intelligence (AI) generative models, such as generative adversarial networks (GANs), variational autoencoders, and normalizing flows, have been widely used and studied as efficient alternatives for traditional scientific simulations. However, they have several drawbacks, including training instability and inability to cover the entire data distribution, especially for regions where data are rare. This is particularly challenging for whole-event, full-detector simulations in high-energy heavy-ion experiments, such as sPHENIX at the Relativistic Heavy Ion Collider and Large Hadron Collider experiments, where thousands of particles are produced per event and interact with the detector. This work investigates the effectiveness of denoising diffusion probabilistic models (DDPMs) as an AI-based generative surrogate model for the sPHENIX experiment that includes the heavy-ion event generation and response of the entire calorimeter stack. DDPM performance in sPHENIX simulation data is compared with a popular rival, GANs. Results show that both DDPMs and GANs can reproduce the data distribution where the examples are abundant (low-to-medium calorimeter energies). Nonetheless, DDPMs significantly outperform GANs, especially in high-energy regions where data are rare. Additionally, DDPMs exhibit superior stability compared to GANs. The results are consistent between both central and peripheral centrality heavy-ion collision events. Moreover, DDPMs offer a substantial speedup of approximately a factor of 100 compared to the traditional Geant4 simulation method.

42 ENGINEERING↗
DOE OSTI2023

End-to-end AI framework for interpretable prediction of molecular and crystal properties

We introduce an end-to-end computational framework that allows for hyperparameter optimization using the DeepHyper library, accelerated model training, and interpretable AI inference. The framework is based on state-of-the-art AI models including CGCNN, PhysNet, SchNet, MPNN, MPNN-transformer, and TorchMD-NET. We employ these AI models along with the benchmark QM9, hMOF, and MD17 datasets to showcase how the models can predict user-specified material properties within modern computing environments. We demonstrate transferable applications in the modeling of small molecules, inorganic crystals and nanoporous metal organic frameworks with a unified, standalone framework. We have deployed and tested this framework in the ThetaGPU supercomputer at the Argonne Leadership Computing Facility, and in the Delta supercomputer at the National Center for Supercomputing Applications to provide researchers with modern tools to conduct accelerated AI-driven discovery in leadership-class computing environments. We release these digital assets as open source scientific software in GitLab, and ready-to-use Jupyter notebooks in Google Colab.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Synergizing human expertise and AI efficiency with language model for microscopy operation and automated experiment design

With the advent of large language models (LLMs), in both the open source and proprietary domains, attention is turning to how to exploit such artificial intelligence (AI) systems in assisting complex scientific tasks, such as material synthesis, characterization, analysis and discovery. Here, we explore the utility of LLMs, particularly ChatGPT4, in combination with application program interfaces (APIs) in tasks of experimental design, programming workflows, and data analysis in scanning probe microscopy, using both in-house developed APIs and APIs given by a commercial vendor for instrument control. We find that the LLM can be especially useful in converting ideations of experimental workflows to executable code on microscope APIs. Beyond code generation, we find that the GPT4 is capable of analyzing microscopy images in a generic sense. At the same time, we find that GPT4 suffers from an inability to extend beyond basic analyses for more in-depth technical experimental design. We argue that an LLM specifically fine-tuned for individual scientific domains can potentially be a better language interface for converting scientific ideations from human experts to executable workflows. Such a synergy between human expertise and LLM efficiency in experimentation can open new doors for accelerating scientific research, enabling effective experimental protocols sharing in the scientific community.

97 MATHEMATICS AND COMPUTING↗
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 OSTI2023

Magnetohydrodynamics with physics informed neural operators

Abstract The modeling of multi-scale and multi-physics complex systems typically involves the use of scientific software that can optimally leverage extreme scale computing. Despite major developments in recent years, these simulations continue to be computationally intensive and time consuming. Here we explore the use of AI to accelerate the modeling of complex systems at a fraction of the computational cost of classical methods, and present the first application of physics informed neural operators (NOs) (PINOs) to model 2D incompressible magnetohydrodynamics (MHD) simulations. Our AI models incorporate tensor Fourier NOs as their backbone, which we implemented with the TensorLY package. Our results indicate that PINOs can accurately capture the physics of MHD simulations that describe laminar flows with Reynolds numbers Re ⩽ 250 . We also explore the applicability of our AI surrogates for turbulent flows, and discuss a variety of methodologies that may be incorporated in future work to create AI models that provide a computationally efficient and high fidelity description of MHD simulations for a broad range of Reynolds numbers. The scientific software developed in this project is released with this manuscript.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Integrating Models with Real-time Field Data for Extreme Events: From Field Sensors to Models and Back with AI in the Loop

Focal Area(s): This whitepaper is responsive to focal area (1) 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). We discuss Artificial Intelligence and Machine Learning (AI/ML) enabled integration of real-time data into the extreme event modeling workflow to improve the predictive capabilities of these models, and deliver real-time feedback to remote sensors, including software and data engineering challenges.

54 ENVIRONMENTAL SCIENCES↗