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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.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Using Explainable Artificial Intelligence to Predict Perovskite Solar Cell Electrical Metastability from Operando Photoluminescence Images in Accelerated Stress Testing

Metal halide perovskite (MHP) solar cells exhibit a metastable response to bias governed by coupled ionic–electronic processes, complicating the conventional reciprocity relation between luminescence intensity and device open-circuit voltage (V oc ). This limits the use of luminescence as a diagnostic for device screening or accelerated stress testing, motivating new approaches that can interpret photoluminescence (PL) signals under nonequilibrium conditions. From the artificial intelligence perspective, we develop an explainable deep learning framework that integrates convolutional neural networks (CNN), long short-term memory (LSTM) layers, and an attention mechanism to learn spatiotemporal features from operando photoluminescence PL image sequences. The model achieves a mean absolute error of ±0.027 V in predicting open-circuit voltage transients and reduces extreme-tail errors by up to 78% compared to physics-based reciprocity calculations. Gradient-weighted Class Activation Mapping (Grad-CAM) provides interpretability by highlighting physically meaningful regions such as electrode edges and emergent defect features. From the engineering application perspective, this framework enables accurate, contactless prediction of device V oc and identification of degradation-relevant features during accelerated aging of perovskite solar cells. This approach demonstrates how explainable AI can enhance operando diagnostics and reliability analysis in photovoltaic devices under nonequilibrium conditions.

14 SOLAR ENERGY↗
DOE OSTI2024

Delocalization error poisons the density-functional many-body expansion

The many-body expansion is a fragment-based approach to large-scale quantum chemistry that partitions a single monolithic calculation into manageable subsystems. This technique is increasingly being used as a basis for fitting classical force fields to electronic structure data, especially for water and aqueous ions, and for machine learning. Here, we show that the many-body expansion based on semilocal density functional theory affords wild oscillations and runaway error accumulation for ion–water interactions, typified by F − (H 2 O) N with N ≳ 15. We attribute these oscillations to self-interaction error in the density-functional approximation. The effect is minor or negligible in small water clusters, explaining why it has not been noticed previously, but grows to catastrophic proportion in clusters that are only moderately larger. This behavior can be counteracted with hybrid functionals but only if the fraction of exact exchange is ≳50%, whereas modern meta-generalized gradient approximations including ωB97X-V, SCAN, and SCAN0 are insufficient to eliminate divergent behavior. Other mitigation strategies including counterpoise correction, density correction (i.e., exchange–correlation functionals evaluated atop Hartree–Fock densities), and dielectric continuum boundary conditions do little to curtail the problematic oscillations. In contrast, energy-based screening to cull unimportant subsystems can successfully forestall divergent behavior. These results suggest that extreme caution is warranted when the many-body expansion is combined with density functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Deep Learning without Global Optimization by Random Fourier Neural Networks

Here we introduce a new training algorithm for deep neural networks that utilize random complex exponential activation functions. Our approach employs a Markov chain Monte Carlo sampling procedure to iteratively train network layers, avoiding global and gradient-based optimization while maintaining error control. It consistently attains the theoretical approximation rate for residual networks with complex exponential activation functions, determined by network complexity. Additionally, it enables efficient learning of multiscale and high-frequency features, producing interpretable parameter distributions. Despite using sinusoidal basis functions, we do not observe Gibbs phenomena in approximating discontinuous target functions.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2021

A Machine Learning Approach to Objective Identification of Dust in Satellite Imagery

Airborne dust has broad adverse effects on human activity, including aviation, human health, and agriculture. Remote sensing observations are used to detect dust and aerosols in the atmosphere using long established techniques. False color Red-Green-Blue (RGB) imagery using band differences sensitive to dust absorption (Dust RGB) is currently used operationally to assist forecasters and decision-makers in identifying dust at night, but there are still limitations, subjectivity, and nuances to image interpretation making night-time dust identification difficult even for experts. This study applies machine learning to the problem of night-time dust detection with a simple random forest (RF) model using Geostationary Operational Environmental Satellite-16 (GOES-16) Advanced Baseline Imager (ABI) infrared imagery, band differences sensitive to dust absorption, and Dust RGB color components as inputs to the model. The RF model achieves an Area-Under-Curve (AUC) of 0.97 with a standard deviation of 0.04 for dust cases. For images with dust present, the model correctly labels 85% of dust pixels and 99.96% of no-dust pixels for all dust images in the validation data set. The addition of a single null case to the training data set drastically reduces error in labeling no-dust pixels as dust from 45% to 14.5%. Application of the machine learning model to the April 13–14, 2019 dust event demonstrates the ability of the model to identify dust during night-time hours when visual dust detection is limited by the cooling ground surface characteristics.

dust↗
NASA NTRSDate not supplied

Communicating Metrics of Land Surface Temperature Variability Using Multi-sensor Machine Learning

Land surface temperature (LST) is a key climate observable used to detect changes in the Earth’s surface energy budget that influence carbon and water cycles. Land surface temperature exhibits strong diurnal variability, which geostationary satellites can observe at scale thanks to their temporal resolution. Due to anthropogenic climate and land use changes, the surface energy balance has been considerably modified and may be described by changes in diurnal temperature range and extremes. Using high performance computing and datasets from the NASA Earth Exchange, we exploit co-located, co-temporal observations from low-earth orbit (LEO) and geostationary (GEO) sensors to develop a deep learning-based method for LEO-to-GEO algorithm emulation. Our model is trained to predict MODIS Terra LST from GOES-16 thermal bands and achieves validation error <2K. Application of the model to unseen times of day (observed by MODIS Aqua) and a new GEO sensor (Himawari-8) observing an unseen spatial domain, demonstrate the generalization of the deep learning model across space, time and spectra. Further, time series clustering approaches are examined with the objective of identifying key indicators of change in diurnal cycling and extremes on a continental scale. Communicating LST variability observed by geostationary satellites can have impacts in multiple disciplines, from understanding of snow, vegetation and soil dynamics, to recognizing trends in heat events relevant to human health.

Kate Duffy↗
NASA NTRSDate not supplied

LEO Sensor to GEO Sensor Algorithm Transfer Models for Land Surface Temperature

Land surface temperature (LST) is a key climate observable used to detect changes in the Earth’s surface energy budget that influence carbon and water cycles. Land surface temperature exhibits strong diurnal variability, which geostationary satellites can observe at scale thanks to their temporal resolution. Due to anthropogenic climate and land use changes, the surface energy balance has been considerably modified and may be described by changes in diurnal temperature range and extremes. Using high performance computing and datasets from the NASA Earth Exchange, we exploit co-located, co-temporal observations from low-earth orbit (LEO) and geostationary (GEO) sensors to develop a deep learning-based method for LEO-to-GEO algorithm emulation. Our model is trained to predict MODIS Terra LST from GOES-16 thermal bands and achieves validation error <2K. Application of the model to unseen times of day (observed by MODIS Aqua) and a new GEO sensor (Himawari-8) observing an unseen spatial domain, demonstrate the generalization of the deep learning model across space, time and spectra. Communicating diurnal LST variability observed by geostationary satellites can have impacts in multiple disciplines, from understanding of snow, vegetation and soil dynamics, to recognizing trends in heat events relevant to human health.

Kate Marie Duffy↗
NASA NTRSDate not supplied

EARLY INFORMATION PARAMETER-SET ANALYSIS FOR SATELLITE CLOSE APPROACHES USING MACHINE LEARNING

In spaceflight navigation applications, understanding and accurately applying orbital mechanics by leveraging force models for trajectory predictions will always remain an important aspect in space mission design and operations. In the process of capturing the dynamics and perturbations in the space environment, the force models are not all encompassing in that these models are subject to errors, commonly referred to as process noise. Therefore, in predicting state vectors of space objects such as spacecraft or debris over long periods of time, these errors in the process noise tend to grow over time.

machine learning↗
DOE OSTI2025

Evaluating algorithmic bias on biomarker classification of breast cancer pathology reports

Objectives: This work evaluated algorithmic bias in biomarkers classification using electronic pathology reports from female breast cancer cases. Bias was assessed across 5 subgroups: cancer registry, race, Hispanic ethnicity, age at diagnosis, and socioeconomic status. Materials and Methods: We utilized 594 875 electronic pathology reports from 178 121 tumors diagnosed in Kentucky, Louisiana, New Jersey, New Mexico, Seattle, and Utah to train 2 deep-learning algorithms to classify breast cancer patients using their biomarkers test results. We used balanced error rate (BER), demographic parity (DP), equalized odds (EOD), and equal opportunity (EOP) to assess bias. Results: We found differences in predictive accuracy between registries, with the highest accuracy in the registry that contributed the most data (Seattle Registry, BER ratios for all registries >1.25). BER showed no significant algorithmic bias in extracting biomarkers (estrogen receptor, progesterone receptor, human epidermal growth factor receptor 2) for race, Hispanic ethnicity, age at diagnosis, or socioeconomic subgroups (BER ratio <1.25). DP, EOD, and EOP all showed insignificant results. Discussion: We observed significant differences in BER by registry, but no significant bias using the DP, EOD, and EOP metrics for socio-demographic or racial categories. This highlights the importance of employing a diverse set of metrics for a comprehensive evaluation of model fairness. Conclusion: A thorough evaluation of algorithmic biases that may affect equality in clinical care is a critical step before deploying algorithms in the real world. We found little evidence of algorithmic bias in our biomarker classification tool. Artificial intelligence tools to expedite information extraction from clinical records could accelerate clinical trial matching and improve care.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1989

Neuromorphic learning of continuous-valued mappings in the presence of noise: Application to real-time adaptive control

The ability of feed-forward neural net architectures to learn continuous-valued mappings in the presence of noise is demonstrated in relation to parameter identification and real-time adaptive control applications. Factors and parameters influencing the learning performance of such nets in the presence of noise are identified. Their effects are discussed through a computer simulation of the Back-Error-Propagation algorithm by taking the example of the cart-pole system controlled by a nonlinear control law. Adequate sampling of the state space is found to be essential for canceling the effect of the statistical fluctuations and allowing learning to take place.

Troudet, Terry↗
NASA NTRS1972

An estimation algorithm with learning feature for an adaptive bit synchronizer.

Description of an on-line optimal (in the sense of linear minimum mean square error) sequential bit synchronizer assuming minimal a priori knowledge of the incoming data. The adaptive synchronization algorithms, implemented on a small computer, are capable of accurately estimating pulse transition time, pulse amplitude, and pulse width by invoking the powerful Gauss-Markov theorem. Numerous simulations indicate that the performance of the synchronizer is satisfactory from the point of view of the amount of data required and the speed of convergence.

Chow, L. R.↗
NASA NTRS2017

NeMO-Net The Neural Multi-Modal Observation Training Network for Global Coral Reef Assessment

In the past decade, coral reefs worldwide have experienced unprecedented stresses due to climate change, ocean acidification, and anthropomorphic pressures, instigating massive bleaching and die-off of these fragile and diverse ecosystems. Furthermore, remote sensing of these shallow marine habitats is hindered by ocean wave distortion, refraction and optical attenuation, leading invariably to data products that are often of low resolution and signal-to-noise (SNR) ratio. However, recent advances in UAV and Fluid Lensing technology have allowed us to capture multispectral 3D imagery of these systems at sub-cm scales from above the water surface, giving us an unprecedented view of their growth and decay. Exploiting the fine-scaled features of these datasets, machine learning methods such as MAP, PCA, and SVM can not only accurately classify the living cover and morphology of these reef systems (below 8 error), but are also able to map the spectral space between airborne and satellite imagery, augmenting and improving the classification accuracy of previously low-resolution datasets.We are currently implementing NeMO-Net, the first open-source deep convolutional neural network (CNN) and interactive active learning and training software to accurately assess the present and past dynamics of coral reef ecosystems through determination of percent living cover and morphology. NeMO-Net will be built upon the QGIS platform to ingest UAV, airborne and satellite datasets from various sources and sensor capabilities, and through data-fusion determine the coral reef ecosystem makeup globally at unprecedented spatial and temporal scales. To achieve this, we will exploit virtual data augmentation, the use of semi-supervised learning, and active learning through a tablet platform allowing for users to manually train uncertain or difficult to classify datasets. The project will make use of Pythons extensive libraries for machine learning, as well as extending integration to GPU and High-End Computing Capability (HECC) on the Pleiades supercomputing cluster, located at NASA Ames. The project is being supported by NASAs Earth Science Technology Office (ESTO) Advanced Information Systems Technology (AIST-16) Program.

Remote Sensin↗
DOE OSTI2024

A Deep Learning Approach for In-Network Synchrophasor Missing Data Recovery Using Programmable Network Switches

Phasor measurement unit (PMU) networks deliver accurate and timely measurements, which is essential for managing today’s electric power systems. To ensure data quality and enhance the cyber-resilience of PMU networks against malicious attacks and data errors, this study presents an online PMU missing data recovery scheme by leveraging P4 programmable switches. The data plane incorporates a customized PMU protocol parser that abstracts the necessary payload data for recovery. Recovery processes are executed in the control plane using a pre-trained machine learning model. Both traditional and advanced ML models, such as transformer and TimeGPT, are explicitly employed for data prediction. This approach ensures rapid and precise data recovery. Performance evaluations focus on recovery speed and accuracy, using a real dataset from a campus microgrid. With 20% missing PMU data, the mean absolute percentage error for voltage magnitude is 0.0384%, and the phase angle error discrepancy is approximately 0.4064%.

Phasor Measurement Unit, Machine Learning, Program↗
NASA NTRS2018

Delay Tolerant Network Routing as a Machine Learning Classification Problem

This paper discusses a machine learning-based approach to routing for delay tolerant networks (DTNs) [1]. DTNs are networks which experience frequent disconnections between nodes, uncertainty of an end-to-end path, long one-way trip times, and may have high error rates and asymmetric links. Such networks exist in deep space satellite networks, very rural environments, disaster areas and underwater environments. In this work, we use machine learning classifiers to predict a set of neighboring nodes which are the most likely to deliver a message to a desired location based on message history delivery information.We use the Common Open Research Emulator (CORE) [2] to emulate the DTN environment based on real-world location traces and collect network traffic statistics from the Bundle Protocol implementation IBR-DTN [3]. The software architecture for classification-based routing, analysis and preparation of the network history data and prediction results are discussed.

Delay Tolerant Networks↗
NASA NTRS2019

Understanding Machine Learning in Earth Science: A Natural Language Processing Approach

Machine learning (ML) is being increasingly utilized in Earth science research. Benefits of ML include efficiency, reduction of human error, and ability to extract hidden patterns within data. However, the mutual lack of each other’s domain knowledge by ML and Earth science stands as a barrier to timely and effective implementation. Earth science, in particular, faces challenges in generating sample data, compared to those of traditional ML problems such as face recognition or stock predictions, where data is abundant and not lacking in ground truth, which is necessary for labeling. Earth science data are more varying in formats, such as HDF5 and image resolutions, and are not standardized across instruments, even within a given Earth science discipline. Previous studies have been done to outline the specific challenges that Earth science faces with ML, while others have focused on using existing publications to mine information efficiently. Other resources such as Scikit-Learn have developed decision trees for choosing appropriate machine learning algorithms, but application within Earth science subjects becomes much more complex. For the current study, we propose a methodology and tool that aids in implementation of ML in Earth science using natural language processing (NLP). Our work comprises three main parts: (1) analyzing existing publications related to ML and Earth science, using natural language processing: (2) extracting from the publications information on ML models subjects in Earth Science: and (3) visualizing the extracted relationships as a network graph. The resulting network graph should aid the Earth science communities in applying optimal ML algorithms and guiding data preparation through visualization of similar studies. The network graph and analysis of document similarity will be the basis of our next step, which is to develop a decision tree for selecting optimal machine learning methodologies for specified Earth science applications.

Zheng, Laura↗
NASA NTRS2002

Human Factors Process Task Analysis Liquid Oxygen Pump Acceptance Test Procedure for the Advanced Technology Development Center

A process task analysis effort was undertaken by Dynacs Inc. commencing in June 2002 under contract from NASA YA-D6. Funding was provided through NASA's Ames Research Center (ARC), Code M/HQ, and Industrial Engineering and Safety (IES). The John F. Kennedy Space Center (KSC) Engineering Development Contract (EDC) Task Order was 5SMA768. The scope of the effort was to conduct a Human Factors Process Failure Modes and Effects Analysis (HF PFMEA) of a hazardous activity and provide recommendations to eliminate or reduce the effects of errors caused by human factors. The Liquid Oxygen (LOX) Pump Acceptance Test Procedure (ATP) was selected for this analysis. The HF PFMEA table (see appendix A) provides an analysis of six major categories evaluated for this study. These categories include Personnel Certification, Test Procedure Format, Test Procedure Safety Controls, Test Article Data, Instrumentation, and Voice Communication. For each specific requirement listed in appendix A, the following topics were addressed: Requirement, Potential Human Error, Performance-Shaping Factors, Potential Effects of the Error, Barriers and Controls, Risk Priority Numbers, and Recommended Actions. This report summarizes findings and gives recommendations as determined by the data contained in appendix A. It also includes a discussion of technology barriers and challenges to performing task analyses, as well as lessons learned. The HF PFMEA table in appendix A recommends the use of accepted and required safety criteria in order to reduce the risk of human error. The items with the highest risk priority numbers should receive the greatest amount of consideration. Implementation of the recommendations will result in a safer operation for all personnel.

Diorio, Kimberly A.↗
DOE OSTI2024

Stress intensity factor models using mechanics-guided decomposition and symbolic regression

The finite element method can be used to compute accurate stress intensity factors (SIFs) for cracks with complex geometries and boundary conditions. In contrast, handbook solutions act as surrogate SIF models that provide significantly faster evaluation times. However, the development of conventional surrogate SIF models relies on manual development based on low-order parameterizations. This limits surrogate model accuracy and generalizability. Here, in this paper, we develop a framework for the automated development of mechanics-guided handbook SIF solutions by using interpretable machine learning via genetic programming for symbolic regression (GPSR). Formalizing the mechanics-based approach of Raju and Newman, SIF training data is decomposed into multiple subsets. This decomposition enables parallel GPSR model development of subfunctions, each of which accounts for specific geometrical corrections with respect to a known analytical model. Using this mechanics-based approach with GPSR allows for equations to be learned with improved accuracy and reduced complexity relative to the Raju Newman equations while maintaining the inherent interpretability of mathematical expressions. In this paper, we present equations that match the complexity of the Raju Newman equations while having reduced error, as well as equations with similar errors and reduced complexity.

42 ENGINEERING↗
DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴ speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously previously impossible with conventional tools while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗
DOE OSTI2025

A 1 km soil moisture dataset over eastern CONUS generated by assimilating SMAP data into the Noah-MP land surface model

An improved fine-scale soil moisture (SM) dataset at 1 km grid spacing, covering much of the eastern continental US, was generated by assimilating 9 km Soil Moisture Active Passive (SMAP) SM data into the v4.0.1 Noah-MP land surface model. With 12 ensemble members, the assimilation was carried out using the ensemble Kalman filter algorithm within NASA's Land Information System. The SM analysis for 2016 was fully validated against in situ observations from four different networks and compared with four other existing datasets. Results indicate that this SM analysis surpasses other datasets in top-layer SM distribution, including a machine-learning-based product, despite all SM estimates being less heterogeneous than observed. The analysis of anomalous errors suggests that large similarity in intrinsic errors is likely due to overlapping data sources among the selected SM datasets. More detailed evaluations were performed over two geographic areas. The observations collected by the Atmospheric Radiation Measurement facility in Oklahoma suggest that soil temperature and surface heat fluxes are concurrently simulated with good accuracy. Investigation into the 2016 southeastern US drought response further indicates drier conditions and higher evapotranspiration estimates compared to GLEAMv4.1. Notably, large errors are associated with grids having clay soil textures, underscoring the need for refined model treatments for specific soil types to further improve SM estimates. The dataset is publicly available on Zenodo at https://doi.org/10.5281/zenodo.14370563 (Tai et al., 2024).

Tai, Sheng-Lun [Pacific Northwest National Laborat↗