SEARCH · Search NASA

Results for “Machine Learning Model”

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.

SourceResearch connectionFrom yearThrough year

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

At least 775 records · Page 43

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Explaining word embeddings with perfect fidelity: a case study in predicting research impact

The best-performing approaches for scholarly document quality prediction are based on embedding models. In addition to their performance when used in classifiers, embedding models can also provide predictions even for words that were not contained in the labelled training data for the classification model, which is important in the context of the ever-evolving research terminology. Although model-agnostic explanation methods, such as Local interpretable model-agnostic explanations, can be applied to explain machine learning classifiers trained on embedding models, these produce results with questionable correspondence to the model. We introduce a new feature importance method, Self-Model Entities Rated (SMER), for logistic regression-based classification models trained on word embeddings. We show that SMER has theoretically perfect fidelity with the explained model, as the average of logits of SMER scores for individual words (SMER explanation) exactly corresponds to the logit of the prediction of the explained model. Quantitative and qualitative evaluation is performed through five diverse experiments conducted on 50,000 research articles (papers) from the CORD-19 corpus. In conclusion, through an AOPC curve analysis, we experimentally demonstrate that SMER produces better explanations than LIME, SHAP and global tree surrogates.

Coarse-grained models↗

DOE OSTI2026

Flexible AI Models for Grid Resilience

The rapid growth in size and complexity of artificial intelligence (AI) and machine learning (ML) models has led to increased energy demands, posing a threat to the reliability of the existing power grid. This project addresses the challenge of highly intermittent and energy-intensive inference workloads by (1) developing fidelity-adaptive neural networks capable of dynamic response to grid conditions and (2) integrating these networks with power flow simulations to assess their impact on power grid reliability. We will explore both top-down and bottom-up approaches to create hierarchies of submodels that provide a controlled trade-off between power draw and prediction accuracy. The top-down method utilizes NN pruning to reduce a flagship model into progressively smaller, energy-efficient variants. The bottom-up approach employs geometrically principled weight setting strategies to construct depth-efficient models from the ground up. A real-time hardware-in-the-loop (HIL) platform will be developed to simulate a scaled AC power grid, integrating live AI workload power draw and enabling dynamic model switching in response to grid feedback. This work will provide a novel framework for evaluating the impact of flexible AI/ML workloads on grid performance and establish new methodologies for energy-aware computing in data centers. The outcomes will demonstrate that adaptive AI/ML can play a critical role in improving grid stability while advancing NREL's leadership in energy-efficient computing research.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

sPHENIX heavy flavor jet tagging studies in p+p at $\sqrt{s_{NN}}=200~GeV$

Heavy-flavor jets, which are initiated from heavy quarks, are ideal probes for studying flavor dependent parton energy loss. We report on the performance of jet flavor tagging using two Neural Network Machine Learning (ML) models: the Long Short-Term Memory (LSTM) model and an Attention-based Neural Network, in simulations of 200 GeV p + p collisions. The tagging performance of bottom quark initiated jets with both ML models surpasses that of the traditional cut-based method. Technical details, including sample and kinematic variable selections, the machine learning training and testing setup with parameter tuning, and outcome comparisons, will be discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Physics-based hybrid machine learning for critical heat flux prediction with uncertainty quantification

Critical heat flux (CHF) is a key quantity in nuclear system modeling due to its impact on heat transfer, safety margins, and reactor performance. This study develops and validates an uncertainty-aware hybrid modeling approach that combines machine learning with physics-based models to predict CHF in cases of dryout. The Biasi and Bowring empirical correlations were paired with three ML uncertainty quantification (UQ) techniques: deep neural network (DNN) ensembles, Bayesian neural networks (BNNs), and deep Gaussian processes (DGPs). A pure ML model without a base model was evaluated for comparison. Model performance was assessed under plentiful (7,350 points) and limited (9 points) training data scenarios using parity, uncertainty distributions, and calibration curves. Results show that the Biasi hybrid DNN ensemble achieved the best overall performance, with a mean absolute relative error of 1.846%, and well-calibrated uncertainty estimates. The BNN-based hybrids showed slightly higher error (2.14%) but superior uncertainty calibration. DGP models underperformed, with over 6% error and poor uncertainty calibration. All hybrid models outperformed pure machine learning configurations, demonstrating resistance against data scarcity. These findings indicate that hybrid modeling significantly improves predictive accuracy, interpretability, and resilience to data scarcity. The integration of uncertainty awareness provides actionable confidence in CHF predictions, which is vital for safety-critical decisions in nuclear applications. This hybrid approach offers a viable pathway for deploying ML models in reactor analysis tools while preserving domain knowledge and physical consistency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Super Resolving Unrolled Neural Networks for Remote Sensing

In remote sensing systems, the capabilities of the system are constrained by the complex interactions between size, weight, and power (SWAP) of potential designs. In electro-optical (EO) systems, examples of these critical parameters include the system’s sensitivity and resolution. Those parameters can be increased by ever larger optical apertures and focal planes but at the cost of more SWAP. Multi-image super resolution (MISR) techniques allow resolution to be enhanced via computation rather than more sophisticated optical hardware. These algorithms combine multiple images together into a single, higher resolution image, trading temporal resolution and computation for spatial resolution. Fielded MISR techniques, such as Drizzle, can require several hundred images to create a single super resolved image, implying reduced temporal resolution, increased data acquisition load, and limiting mission applications. Iterative techniques, such as model-based image reconstruction and compressive sensing, have been shown to create super resolved images using fewer images than Drizzle. They do this by posing an optimization problem that balances accuracy between a highly accurate physical model and an image model. In the case of super resolution, the physical model is defined by the relation between low resolution input images and the desired high resolution output image. The image model encodes some assumptions about the super resolved image. These assumptions are meant to suppress reconstruction artifacts that arise due to deterministic physical model error, stochastic measurement noise, and potential undersampling. In practice, the performance of iterative methods are limited by imaging models compatible with optimization. Deep learning-based methods can effectively learn image models of arbitrary complexity, but lack the theoretical explainability and robustness of iterative techniques. Consensus equilibrium (CE) generalizes the iterative techniques beyond optimization, enabling blackbox algorithms such as traditional and neural image denoisers to be used as the image model. CE-based approaches retain much of the explainability and robustness of iterative techniques while allowing the expressiveness of machine learning image models to be used. Additionally, by unrolling iterations of CE with an embedded image denoiser, the image denoiser can be further trained and specialized to the specific application with potentially higher quality reconstructions. Under this project, we demonstrated the feasibility of training an unrolled neural network based upon CE. While we didn’t train one, we showed that the CE process is differentiable and its gradient can be tractably computed. We also explored the usage of a variants of CE akin to generative neural works. Most importantly, we applied the CE framework to a number of problems including non-blind deconvolution, upsampling, single-image super resolution, MISR, event-based sensing, and saturated deconvolution. Our MISR prototype creates high quality reconstructions with an order of magnitude fewer images than previous approaches and, critically, produces these reconstructions fast enough for practical usage.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Preliminary Results on Bayesian Inverse UQ for OECD/NEA WPNCS Subgroup 14 Benchmark Exercise for Error Recovery and Experimental Coverage

The Organization for Economic Cooperation and Development (OECD) Working Party on Nucelar Criticality Safety (WPNCS) has proposed a benchmark exercise representative of neutronic behavior in criticality experiments. Here, the goal is to develop confidence in data assimilation techniques used to adjust nuclear data. Participants are given synthetic experimental models with associated measured data and asked to estimate the model parameters given the model and measurements as well as provide predictions for separate application models. In this work, we performed data assimilation using Bayesian inverse Uncertainty Quantification (UQ) with machine learning surrogate models to produce posterior parameter distributions for the requested parameters and posterior predictive distributions for the requested responses. Several experimental models are shown to insufficiently inform the posterior parameter distributions for the applications involved. However, given sufficient experimental data, posterior parameter estimates yielded reduced uncertainty in the response predictions of interest while covering the experimental data.

Bayesian Inference↗

DOE OSTI2024

Probabilistic data fusion and physics-informed machine learning: A new paradigm for modeling under uncertainty, and its application to accelerating the discovery of new materials

In this report we summarize the work conducted by PI Perdikaris and his group under this Early Career project DE–SC0019116 during the period of 09/01/2018 – 08/31/2023. The central aim of the work was to introduce a new paradigm for scientific data analysis that can seamlessly synthesize rigorous mathematical modeling with data of variable fidelity (e.g., measurements at multiple scales/resolutions or predictions of variable fidelity models) and multiple modalities (e.g., images, time–series, or scattered measurements). The setting we are interested in involves complex systems that are partially observed and whose dynamical behavior could be hard to model or totally unknown. The inherent uncertainty associated with this setting necessitates a departure from the classical deterministic realm of modeling and scientific computation, and, consequently, our main building blocks can no longer be crisp deterministic numbers and governing laws, but instead we must operate with probabilistic models.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Loss Landscape Analysis for Reliable Quantized ML Models for Scientific Sensing

In this paper, we propose a method to perform empirical analysis of the loss landscape of machine learning (ML) models. The method is applied to two ML models for scientific sensing, which necessitates quantization to be deployed and are subject to noise and perturbations due to experimental conditions. Our method allows assessing the robustness of ML models to such effects as a function of quantization precision and under different regularization techniques -- two crucial concerns that remained underexplored so far. By investigating the interplay between performance, efficiency, and robustness by means of loss landscape analysis, we both established a strong correlation between gently-shaped landscapes and robustness to input and weight perturbations and observed other intriguing and non-obvious phenomena. Our method allows a systematic exploration of such trade-offs a priori, i.e., without training and testing multiple models, leading to more efficient development workflows. This work also highlights the importance of incorporating robustness into the Pareto optimization of ML models, enabling more reliable and adaptive scientific sensing systems.

Baldi, Tommaso [Pisa, Scuola Normale Superiore]↗

NASA NTRSDate not supplied

Evaluating Machine Learning Approaches to Plume Tracking

On July 15, 2022, the Hunga Tonga-Hunga Ha’apai (HTHH) submarine volcano erupted, propelling trace gasses and ash through the troposphere and up into the stratosphere. Previous studies manually tracked the aerosol and trace gas plumes over time across different positions in the southern hemisphere. Using imagery from NASA’s Earth Observing System, including MODIS aerosol products and OMI sulfur dioxide products, this research demonstrates how open-source machine learning (ML) models, like Meta’s Segment Anything Model (SAM), can perform automatic plume tracking following the Hunga Tonga eruption. This extensible methodology, and modular data processing and modeling pipeline, establishes a framework for systematically and rapidly studying natural disasters, including additional volcanic eruptions and large-scale wildfires. By combining advanced machine learning techniques, such as SAM’s zero-shot learning, with large volumes of NASA’s Earth Observation and remote sensing data, this work shows how AI and open science can accelerate research and generate actionable results, even for unprecedented events. The tools and technologies presented here can help translate earth science to action from NASA’s current and future Earth observing satellite missions, and assist researchers and stakeholders in understanding, mapping, and responding to natural disasters in a changing world.

machine learning↗

NASA NTRS2016

Modeling the Swift Bat Trigger Algorithm with Machine Learning

To draw inferences about gamma-ray burst (GRB) source populations based on Swift observations, it is essential to understand the detection efficiency of the Swift burst alert telescope (BAT). This study considers the problem of modeling the Swift / BAT triggering algorithm for long GRBs, a computationally expensive procedure, and models it using machine learning algorithms. A large sample of simulated GRBs from Lien et al. is used to train various models: random forests, boosted decision trees (with AdaBoost), support vector machines, and artificial neural networks. The best models have accuracies of greater than or equal to 97 percent (less than or equal to 3 percent error), which is a significant improvement on a cut in GRB flux, which has an accuracy of 89.6 percent (10.4 percent error). These models are then used to measure the detection efficiency of Swift as a function of redshift z, which is used to perform Bayesian parameter estimation on the GRB rate distribution. We find a local GRB rate density of n (sub 0) approaching 0.48 (sup plus 0.41) (sub minus 0.23) per cubic gigaparsecs per year with power-law indices of n (sub 1) approaching 1.7 (sup plus 0.6) (sub minus 0.5) and n (sub 2) approaching minus 5.9 (sup plus 5.7) (sub minus 0.1) for GRBs above and below a break point of z (redshift) (sub 1) approaching 6.8 (sup plus 2.8) (sub minus 3.2). This methodology is able to improve upon earlier studies by more accurately modeling Swift detection and using this for fully Bayesian model fitting.

gamma-ray burst: general â€“ gamma-rays: general â↗

NASA NTRSDate not supplied

Hyperspectral Sounder Spectral Fingerprinting: Using Machine Learning Techniques to Enhance Model-Based Physical Inversion

Different retrieval algorithms have been developed to process top-of-atmosphere (TOA) spectral radiance data provided by hyperspectral infrared sounder missions. Those algorithms are either optimal estimation method (OEM) based schemes with radiative transfer calculation involved in the retrieval process, or machine learning based methods that allow ultra-efficient data procession but lack of radiometric consistency validation based on the directly measured information. Combining both approaches leverages their respective technical advantages, leading to more accurate results. This study introduces a hyperspectral sounder fingerprinting algorithm to explore this hybrid approach. This approach involves the use of a spectral information-based classification method to identify an reference geophysical state and the corresponding radiative kernel. This enables the efficient retrieval of geophysical variables of interest through a radiative kernel-based linear inversion procedure. The fingerprinting method has been applied to analyze a decade-long hyperspectral sounder data record.

Wan Wu↗

DOE OSTI2024

Unifying Quantum Materials Modeling and Experiments: The Role of Machine Learning Interatomic Potentials

Computational experiments have emerged as a powerful complement to traditional experiments in the design of new materials. The development of machine learning (ML) and deep learning techniques, combined with database construction and data mining, has significantly enhanced traditional quantum mechanical methods. This synergy enables the rapid development of structure-property relationships. In this talk, I will discuss our recent efforts in applying Machine Learning Interatomic Potentials (MLIAPs) to accelerate materials modeling across various material classes and challenging applications where traditional methods fall short. First, I will highlight the success of MLIAPs in accurately modeling the melting behavior of complex materials. Our results demonstrate high fidelity with experimental observations and also with calculated reference melting temperatures. In the second application, I will discuss how MLIAPs are trained and applied to elucidate the interplay between segregation tendencies and surface reconstructions in CuNi alloys under oxidizing conditions. A key factor in the success of these MLIAP applications is the design of minimalistic yet flexible datasets along with a computational framework for training MLIAPs.

Saidi, Wissam↗

NASA NTRS2015

Modeling the Swift BAT Trigger Algorithm with Machine Learning

To draw inferences about gamma-ray burst (GRB) source populations based on Swift observations, it is essential to understand the detection efficiency of the Swift burst alert telescope (BAT). This study considers the problem of modeling the Swift BAT triggering algorithm for long GRBs, a computationally expensive procedure, and models it using machine learning algorithms. A large sample of simulated GRBs from Lien et al. (2014) is used to train various models: random forests, boosted decision trees (with AdaBoost), support vector machines, and artificial neural networks. The best models have accuracies of approximately greater than 97% (approximately less than 3% error), which is a significant improvement on a cut in GRB flux which has an accuracy of 89:6% (10:4% error). These models are then used to measure the detection efficiency of Swift as a function of redshift z, which is used to perform Bayesian parameter estimation on the GRB rate distribution. We find a local GRB rate density of eta(sub 0) approximately 0.48(+0.41/-0.23) Gpc(exp -3) yr(exp -1) with power-law indices of eta(sub 1) approximately 1.7(+0.6/-0.5) and eta(sub 2) approximately -5.9(+5.7/-0.1) for GRBs above and below a break point of z(sub 1) approximately 6.8(+2.8/-3.2). This methodology is able to improve upon earlier studies by more accurately modeling Swift detection and using this for fully Bayesian model fitting. The code used in this is analysis is publicly available online.

gamma rays: general↗

DOE OSTI2024

Advanced Data Science Model for Detecting Intelligent Malware

This study focused on developing a robust artificial intelligence (AI) model capable of detecting and characterizing advanced malware in Internet of Things (IoT) devices using network data. By analyzing network traffic with various machine learning (ML) models, our AI model can identify and characterize malicious activities to significantly improve malware detection accuracy and reliability as compared to traditional methods. The developed AI/ML model was trained using network data from IoT devices, leveraging classifiers such as Random Forest, Gradient Boosting, AdaBoost, and others to optimize detection performance. This project demonstrates a scalable framework for real-time malware detection and characterization in IoT networks, capable of identifying infected devices and facilitating the necessary steps to remove or isolate them, thereby preventing further infections. Although digital twin (DT) integration is not yet implemented in the current model, it represents a promising future enhancement. By creating a virtual replica of physical IoT devices, DT technology would allow for real-time monitoring and analysis without directly accessing operational technology, thus reducing the risk of compromising or reducing the performance of actual devices. This integration would further enhance the security of IoT ecosystems, combining AI technology to better flag and detect indications of malware-infected devices within a nuclear system environment.

42 ENGINEERING↗

DOE OSTI2024

Deep learning with mixup augmentation for improved pore detection during additive manufacturing

In additive manufacturing (AM), process defects such as keyhole pores are difficult to anticipate, affecting the quality and integrity of the AM-produced materials. Hence, considerable efforts have aimed to predict these process defects by training machine learning (ML) models using passive measurements such as acoustic emissions. This work considered a dataset in which keyhole pores of a laser powder bed fusion (LPBF) experiment were identified using X-ray radiography and then registered both in space and time to acoustic measurements recorded during the LPBF experiment. Due to AM’s intrinsic process controls, where a pore-forming event is relatively rare, the acoustic datasets collected during monitoring include more non-pores than pores. In other words, the dataset for ML model development is imbalanced. Moreover, this imbalanced and sparse data phenomenon remains ubiquitous across many AM monitoring schemes since training data is nontrivial to collect. Hence, we propose a machine learning approach to improve this dataset imbalance and enhance the prediction accuracy of pore-labeled data. Specifically, we investigate how data augmentation helps predict pores and non-pores better. This imbalance is improved using recent advances in data augmentation called Mixup, a weak-supervised learning method. Convolutional neural networks (CNNs) are trained on original and augmented datasets, and an appreciable increase in performance is reported when testing on five different experimental trials. When ML models are trained on original and augmented datasets, they achieve an accuracy of 95% and 99% on test datasets, respectively. We also provide information on how dataset size affects model performance. Lastly, we investigate the optimal Mixup parameters for augmentation in the context of CNN performance.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Deep learning with mixup augmentation for improved pore detection during additive manufacturing

42 ENGINEERING↗

DOE OSTI2024

A Novel Method to Train Classification Models for Structure Detection in In Situ Spacecraft Data

We present a method for creating spacecraft-like data which can be used to train Machine Learning (ML) models to detect and classify structures in in situ spacecraft data. First, we use the Grad-Shafranov equation to numerically solve for several magnetohydrostatic equilibria which are variations on a known analytic equilibrium. These equilibria are then used as the initial conditions for Particle-In-Cell simulations in which the structures of interest are observed and labeled. We then take one-dimensional slices through the simulations to replicate what a spacecraft collecting data from the simulation would observe. This sliced data then can be used as training data for the initial training of ML models intended for use on spacecraft data. We demonstrate the method applied to the problem of detecting small-scale plasmoids in the magnetotail, which is important for understanding complex magnetotail reconnection dynamics. The simple 1D classifier we train is able to detect more than 70% of the plasmoid points in the data set but also produces a large number of false positives. Our further work on this example problem is detailed, and further potential uses of the method are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Machine-learning-assisted deciphering of microstructural effects on ionic transport in composite materials: A case study of Li 7 La 3 Zr 2 O 12 -LiCoO 2

The effective diffusivity of ionic species in multiphase materials is critical for the design and function of composite materials for electrochemical energy storage. In practice, effective diffusivity depends sensitively not only on the intrinsic diffusivities of constituting materials but also on their topological arrangement; nevertheless, these coupled contributions are oversimplified in most analytical models. Here, we combine atomistically informed mesoscale modeling and machine learning (ML) analysis to unravel how such features affect effective diffusivity in two-phase composites. Using the Li 7 La 3 Zr 2 O 12 -LiCoO 2 composite solid-state battery cathode as a model system, we compute effective diffusivity for 600 distinct dense polycrystalline microstructures with different topological configurations of grains, grain boundaries, and heterointerfaces. We verify that in addition to atomic-scale variabilities, microstructural feature diversity can significantly impact effective transport properties. Across the ensemble of test microstructures, this often results in bimodal distributions of effective diffusivity that encompass two qualitatively distinct operating mechanisms, which we identify via flux analysis. An ML approach reveals that the most critical determining factors for effective diffusivity are the connectivity of bulk phases and their heterointerfaces. The role of ionic mobility at the heterointerfaces is also discussed. These insights highlight the combined importance of microstructure and interface engineering in tuning the transport properties of ionic species in composite materials. In conclusion, our framework can also be extended for understanding generic microstructure-property relationships in other complex multiphase materials.

25 ENERGY STORAGE↗