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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Fast Machine Learning for Quantum Control of Microwave Qudits on Edge Hardware

Quantum optimal control is a promising approach to improve the accuracy of quantum gates, but it relies on complex algorithms to determine the best control settings. CPU or GPU-based approaches often have delays that are too long to be applied in practice. It is paramount to have systems with extremely low delays to quickly and with high fidelity adjust quantum hardware settings, where fidelity is defined as overlap with a target quantum state. Here, we utilize machine learning (ML) models to determine control-pulse parameters for preparing Selective Number-dependent Arbitrary Phase (SNAP) gates in microwave cavity qudits, which are multi-level quantum systems that serve as elementary computation units for quantum computing. The methodology involves data generation using classical optimization techniques, ML model development, design space exploration, and quantization for hardware implementation. Our results demonstrate the efficacy of the proposed approach, with optimized models achieving low gate trace infidelity near $10^{-3}$ and efficient utilization of programmable logic resources.

Sanders, Flor [Columbia U.]↗
DOE OSTI2026

A machine learning based approach to online electron reconstruction at CLAS12

Online reconstruction is key for monitoring purposes and real time analysis in High Energy and Nuclear Physics experiments. A necessary component of reconstruction algorithms is particle identification that combines information left by a particle passing through several detector components to identify the particle’s type. Of particular interest to electro-production Nuclear Physics experiments such as CLAS12 is electron identification which is used to trigger data recording. A machine learning approach was developed for CLAS12 to reconstruct and identify electrons by combining raw signals at the data acquisition level from several detector components. Here, this approach achieves an electron identification purity above 75% whilst retaining an efficiency close to 100%. The machine learning tools are capable of running at high rates exceeding the data acquisition rates and will allow electron reconstruction in real-time. This work enhances online analyses and monitoring and can contribute to improved triggering at CLAS12. This machine learning driven approach will also be crucial for experiments aiming to transition to streaming readout operations where online reconstruction will be a key component of the data taking paradigm.

Artificial intelligence↗
DOE OSTI2025

Dependence of Convective Cloud Microphysical Properties on Environmental Conditions during the TRACER and ESCAPE Field Campaigns: A Synergistic Approach of Observations, Machine Learning and Parcel Models

The sensitivity of convective clouds to aerosols and their interactions with environment, combined with limited observational constraints in parameterizations, introduces significant uncertainties in atmospheric models. Here, this study investigates the dependence of convective cloud microphysical properties on environmental conditions using a synergistic approach that combines unique observations from the TRACER and ESCAPE field campaigns, machine learning techniques, and parcel model simulations with a super-droplet microphysics scheme. A random forest algorithm identifies in-situ vertical velocity (w), temperature (T), and surface fine-mode aerosol mass concentration as the three most important environmental conditions influencing cloud properties including liquid water content (LWC), number concentration for particles with D max < 50 μm (N c ,<50), 50 μm ≤ D max ≤ 3000 μm (N c,50–3000 ), and droplet effective diameter (D e ). Results show that LWC, N c,<50 , and N c,50–3000 significantly increase with w in updrafts. Across w bins, as T decreases, LWC, D e , and N c,50–3000 increase, while N c,<50 decreases, which are closely linked to the distance above cloud bases. Warmer cloud bases yield higher LWC, greater N c,50–3000 , and smaller N c,<50 , while polluted environments produce greater N c,<50 . Parcel model simulations successfully replicate these observed dependencies. The simulation results indicate that warmer cloud bases enhance condensation generating larger droplets, and differences in droplet sizes are then amplified through collision-coalescence, resulting in a greater N c,50–3000 . Polluted conditions result in a greater N c,<50 primarily due to enhanced cloud condensation nuclei activation despite increased collision-coalescence rates compared to pristine conditions. This study provides observed quantitative patterns characterizing cloud microphysical properties as a function of key environmental parameters, offering valuable constraints for improving physics parameterizations and numerical models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Uncertainty-Aware, Structure-Preserving Machine Learning Approach for Domain Shift Detection From Nonlinear Dynamic Responses of Structural Systems

Complex structural systems deployed for aerospace, civil, or mechanical applications must operate reliably under varying operational conditions. Structural health monitoring (SHM) systems help ensure the reliability of these systems by providing continuous monitoring of the state of the structure. SHM relies on synthesizing measured data with a predictive model to make informed decisions about structural states. However, these models—which may be thought of as a form of a digital twin—need to be updated continuously as structural changes (e.g., due to damage) arise. We propose an uncertainty-aware machine learning model that enforces distance preservation of the original input state space and then encodes a distance-aware mechanism via a Gaussian process (GP) kernel. The proposed approach leverages the spectral-normalized neural GP algorithm to combine the flexibility of neural networks with the advantages of GP, subjected to structure-preserving constraints, to produce an uncertainty-aware model. This model is used to detect domain shift due to structural changes that cannot be observed directly because they may be spatially isolated (e.g., inside a joint or localized damage). This work leverages detection theory to detect domain shift systematically given statistical features of the prediction variance produced by the model. The proposed approach is demonstrated on a nonlinear structure being subjected to damage conditions. In conclusion, it is shown that the proposed approach is able to rely on distances of the transformed input state space to predict increased variance in shifted domains while being robust to normative changes.

Algorithms↗
DOE OSTI2024

SQMS Quantum R&D in Machine Learning, Optimization and Sensing beyond Fundamental Physics Applications

This newly formed team at SQMS under the Ecosystem Thrust is looking to develop capabilities impacting societal advances outside the core domain of HEP and condensed matter physics. We explicitly leverage the experimental and algorithmic innovations developed across all groups as well as connect to broad-scope external projects of the diverse team of PIs. As the inaugural set of projects, we are studying numerically quantum machine learning models inspired by efficiently trainable echo-state and orthogonal neural networks and developing designs for related experiments to be performed on quantum processors based on SQMS SRF cQED technology and Rigetti s transmon arrays. Investigated models exploit ideas and lessons learned from multiple prior work by SQMS team members in a variety of internal and external activities [R1]. Target initial applications include noisy signal processing, potentially captured by quantum sensors or noisy QPUs, as well as simulation and classification of healthcare data. For instance, image reconstruction of the brain s electrical properties by solving the inverse Maxwell equation problem with uncertainty [R2] through a hybrid quantum-classical physics-informed architecture for time-dependent processes [R3]. The group is also investigating the application and development of novel quantum sensors based on magnetic levitation of a superconducting sphere coupled to a superconducting qubit. This coupling enables high-precision measurements of the position of the sphere, which can be used for sensitive detection of forces, enabling practical applications such as gravimetry for geophysics analysis, or accelerometry for GPS-denied navigation [R4] [R1] Rieffel, Eleanor G., Ata Akbari Asanjan, M. Sohaib Alam, Namit Anand, David E. Bernal Neira, Sophie Block, Lucas T. Brady et al. "Assessing and advancing the potential of quantum computing: A NASA case study." Future Generation Computer Systems (2024). [R2] Yu, X., Serrall s, J.E., Giannakopoulos, I.I., Liu, Z., Daniel, L., Lattanzi, R. and Zhang, Z., 2023. Pifon-ept: Mr-based electrical property tomography using physics-informed fourier networks. IEEE Journal on Multiscale and Multiphysics Computational Techniques. [R3] Wudarski, Filip, Daniel OConnor, Shaun Geaney, Ata Akbari Asanjan, Max Wilson, Elena Strbac, P. Aaron Lott, and Davide Venturelli. "Hybrid quantum-classical reservoir computing for simulating chaotic systems." arXiv preprint arXiv:2311.14105 (2023). [R4] Higgins, Gerard, Saarik Kalia, and Zhen Liu. "Maglev for dark matter: Dark-photon and axion dark matter sensing with levitated superconductors." Physical Review D 109.5 (2024): 055024.

Venturelli, Davide↗
DOE OSTI2025

Physics-informed machine learning analysis for nanoscale grain mapping by synchrotron Laue microdiffraction

Understanding the grain morphology, orientation distribution and crystal structure of nanocrystals is essential for optimizing the mechanical and physical properties of functional materials. Synchrotron X-ray Laue microdiffraction is a powerful technique for characterizing crystal structures and orientation mapping using focused X-rays. However, when the grain sizes are smaller than the beam size, mixed peaks in the Laue pattern from neighboring grains limit the resolution of grain morphology mapping. We propose a physics-informed machine learning (PIML) approach that combines a convolutional neural network feature extractor with a physics-informed filtering algorithm to overcome the spatial resolution limits of X-rays, achieving nanoscale resolution for grain mapping. Our PIML method successfully resolves the grain size, orientation distribution and morphology of Au nanocrystals through synchrotron microdiffraction scans, showing good agreement with electron backscatter diffraction results. This PIML-assisted synchrotron microdiffraction analysis can be generalized to other diffraction-based probes, enabling the characterization of nanosized structures with micrometre-sized probes.

X-ray crystallography↗
DOE OSTI2025

Graph-based Reversible Evaluation and Tangents Library

GRETL is a C++ library for evaluation, re-evaluation and algorithmic differentiation of functional operations on an arbitrary computational graph with limited memory usage. Similar to popular machine learning frameworks in Python, like PyTorch and JAX, it tracks and stores both operations and output data as functions are evaluated. Once this composition of functions is built up, the entire chain of operations can be back propagated to compute sensitivities of the final result with respect to any number of inputs. In contrast to most machine learning applications, memory usage becomes the bottleneck for back propagation in many physics applications, especially for time-dependent PDEs. Dynamic check pointing becomes essential. An important distinguishing feature of GRETL is its ability to limit the maximum memory usage by automatically dynamic checkpointing the data output for each graph operation (see Wang, Moin, Iaccarino, 2009). During backpropagation, parts of the graph that are no longer in memory are automatically re-evaluated from upstream checkpointed states as needed for derivative sensitivity calculations (or more precisely, for vector-Jacobian products). GRETL is particularly beneficial for applications, such as coupled multi-physics, where deriving adjoint-based sensitivities and managing checkpoint memory across modules becomes onerous. Cases which can be readily handled by the GRETL library include: different time-integration algorithms per physics (e.g., coupled predictor-corrector algorithms, IMEX, etc.), sub-cycling, asynchronous integrators, state dependent timestep sizes, iterative solvers and coupling algorithms, controller algorithms, and more.

Tupek, MichaelR [Lawrence Livermore National Labor↗
DOE OSTI2024

Group-theoretic error mitigation enabled by classical shadows and symmetries

Abstract Estimating expectation values is a key subroutine in quantum algorithms. Near-term implementations face two major challenges: a limited number of samples required to learn a large collection of observables, and the accumulation of errors in devices without quantum error correction. To address these challenges simultaneously, we develop a quantum error-mitigation strategy called symmetry-adjusted classical shadows , by adjusting classical-shadow tomography according to how symmetries are corrupted by device errors. As a concrete example, we highlight global U(1) symmetry, which manifests in fermions as particle number and in spins as total magnetization, and illustrate their group-theoretic unification with respective classical-shadow protocols. We establish rigorous sampling bounds under readout errors obeying minimal assumptions, and perform numerical experiments with a more comprehensive model of gate-level errors derived from existing quantum processors. Our results reveal symmetry-adjusted classical shadows as a low-cost strategy to mitigate errors from noisy quantum experiments in the ubiquitous presence of symmetry.

Zhao, Andrew (ORCID:0000000202990277)↗
DOE OSTI2025

CGSim: A Simulation Framework for Large Scale Distributed Computing Environment

Large-scale distributed computing infrastructures such as the Worldwide LHC Computing Grid (WLCG) require comprehensive simulation tools for evaluating performance, testing new algorithms, and optimizing resource allocation strategies. However, existing simulators suffer from limited scalability, hardwired algorithms, lack of real-time monitoring, and inability to generate datasets suitable for modern machine learning approaches. We present CGSim, a simulation framework for large-scale distributed computing environments that addresses these limitations. Built upon the validated SimGrid simulation framework, CGSim provides high-level abstractions for modeling heterogeneous grid environments while maintaining accuracy and scalability. Key features include a modular plugin mechanism for testing custom workflow scheduling and data movement policies, interactive real-time visualization dashboards, and automatic generation of event-level datasets suitable for AI-assisted performance modeling. We demonstrate CGSim’s capabilities through a comprehensive evaluation using production ATLAS PanDA workloads, showing significant calibration accuracy improvements across WLCG computing sites. Scalability experiments show near-linear scaling for multi-site simulations, with distributed workloads achieving 6 × better performance compared to single-site execution. The framework enables researchers to simulate WLCG-scale infrastructures with hundreds of sites and thousands of concurrent jobs within practical time budget constraints on commodity hardware.

Vatsavai, Sairam Sri [Brookhaven National Laborato↗
DOE OSTI2025

TorchBraid: High-Performance Layer-Parallel Training of Deep Neural Networks with MPI and GPU Acceleration

TorchBraid is a high-performance implementation of layer-parallel training for deep neural networks (DNNs) supporting MPI-based parallelism and GPU acceleration. Layer-parallel training has been developed to overcome the serialization inherent in forward and backward propagation of DNNs that limits utilization of computational resources in the strong scaling limit. To achieve this, TorchBraid integrates the PyTorch neural network framework with the state-of-the-art XBraid time-parallel library. Furthermore, this article presents the use and performance of TorchBraid, in addition to solutions for overcoming the algorithmic challenges inherent in combining automatic differentiation with layer-parallel. Results are presented with and without GPU acceleration for the Tiny ImageNet and MNIST image classification data sets, as well as recurrent neural networks. Overall, TorchBraid enables fast training of DNNs, both in a strong and weak scaling context. In addition to the TorchBraid software, several new advances in applying layer-parallel algorithms are detailed. Integration of layer-parallel with data-parallel algorithms is presented for the first time, showing the computational advantages of the combination. Standard deep learning techniques, like batch-normalization, are developed for layer-parallel training. Finally, a new approach combining layer-parallel with spatial coarsening in order to accelerate training for 3D image classification shows roughly a 10× speedup over serial execution.

Layer-parallel↗
DOE OSTI2026

Toward a microscopic picture of hadronization and multi-parton processes

This project advanced the understanding of how quarks and gluons produced in high-energy collisions transform into the hadrons observed in particle detectors, a fundamental process known as quantum chromodynamics (QCD) hadronization. By combining theoretical calculations, quantum simulation methods, and modern AI techniques, the research developed new tools to study multi-parton dynamics and nonperturbative effects that are essential for interpreting data from current and future nuclear physics experiments. Key outcomes include new theoretical frameworks for jet and hadron measurements, pioneering quantum simulation algorithms for real-time dynamics in field theories, and the development of advanced machine-learning models, such as diffusion models and explainable classifiers, to simulate and analyze collider events. These results are directly relevant to experiments at Jefferson Lab, Brookhaven National Laboratory, and the future Electron-Ion Collider, and they also have a broader impact in areas such as quantum information science and data-driven modeling of complex systems. The project supported the training of graduate students and postdoctoral fellows and contributed to the broader scientific community through publications, workshops, and collaborative activities. Overall, this work provides new insights into the microscopic mechanisms of hadron formation and establishes a foundation for future studies at the intersection of nuclear physics, artificial intelligence, and quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Robust Explanations using Diverse Adversarially Trained Ensembles, Multi-Modal Contrastive Learning, and Attribution-based Confidence Metrics

The primary objective of this project is to strengthen the trustworthiness of AI systems by designing algorithms that make their internal decision-making processes more understandable to human users. This involves creating clear, interpretable explanations for AI decisions and developing metrics to assess these explanations' validity and reliability. Significant progress has been achieved through (i) developing symbolic explanations, (ii) generating meaningful interpretive insights, (iii) establishing accuracy and confidence metrics, and (iv) devising methods to evaluate the knowledge boundaries of AI models. To date, the research findings have been shared in peer-reviewed publications, with accompanying scientific and technical information (STI) detailed below.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Spatiotemporal Learning in Power Modules: Wavelet-Enhanced Forecasting of Thermomechanical Degradation

Detecting internal defects in power electronics packages is critical for their performance and reliability, especially under extreme operating conditions, as these defects can lead to catastrophic failure if not properly addressed. Confocal scanning acoustic microscopy (C-SAM) plays a key role in the nondestructive evaluation of bond layer degradation within a power electronics package by detecting defects such as delamination, voids, and cracks. However, accurately quantifying and predicting these defects from C-SAM images remains a significant challenge due to the low noise-to-signal ratio, which typically arises from both imaging process and bond patterns itself. In this paper, we explore machine learning strategies for processing C-SAM images and providing predictive models of defect growth. We use C-SAM images of sintered copper and sintered silver samples, which are obtained under accelerated thermal experiments, as the representative dataset for our study. We investigate the effect of Fourier transforms and wavelet transforms on these datasets to remove high-frequency noise and address noise across multiple scales with histogram equalization to enhance the contrast and improve the visibility of defects. As a result, defect boundaries can be clearly distinguished, enabling more accurate tracking of their growth over time. We then employ different time-series forecasting algorithms on the denoised images to formulate an image-based lifetime prediction model. Statistical models and deep-learning techniques are trained on images obtained in the early stages of thermal shock, and defect growth in the later stages is predicted. Our work serves as a preliminary attempt to improve the accuracy of lifetime prediction models of power electronics packages, which is critical under extreme operating environments.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

An end-to-end deep learning solution for automated LiDAR tree detection in the urban environment

Cataloging and classifying trees in the urban environment is a crucial step in urban and environmental planning; however, manual collection and maintenance of this data is expensive and time-consuming. Although algorithmic approaches that rely on remote sensing data have been developed for tree detection in forests, they generally struggle in the more varied urban environment. This work proposes a novel end-to-end deep learning method for the detection of trees in the urban environment from remote sensing data. Specifically, we develop and train a novel PointNet-based neural network architecture to predict tree locations directly from LiDAR data augmented with multi-spectral imagery. We compare this model to a number of high-performing baselines on a large and varied dataset in the Southern California region, and find that our method outperforms all baselines in terms of tree detection ability (75.5% F-score) and positional accuracy (2.28 meter root mean squared error), while being highly efficient. We then analyze and compare the sources of errors, and how these reveal the strengths and weaknesses of each approach. Our results highlight the importance of fusing spectral and structural information for remote sensing tasks in complex urban environments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Integrating Machine-learning-assisted Computer Vision with RICH System

Developments in artificial intelligence have vastly expanded the capabilities of robots. Currently, the Spallation Neutron Source (SNS) beamlines at Oak Ridge National Lab (ORNL) have robotic sample loaders to increase the efficiency of running experiments. However, they require retraining if anything about the situation changes, e.g., where the samples are, and cannot notice if errors occur. So, the viability of using computer vision and machine learning to enhance these sample loaders’ functionality was investigated. In this project, the RICH system with a Dobot CR3 6-axis robot present at the VULCAN beamline assisted by an Intel Realsense D435i camera, a unique camera that enables convenient translation of 2D pixel coordinates to 3D world points, was programmed to load ceramic crucibles into a thermogravimetric analyzer (TGA) furnace. An algorithm was constructed in Python with three major phases planned: (1) obtaining a sample, (2) moving it to the target location, and then (3) bringing the sample back to its original location once the experiment finished. In the first phase, the algorithm would dynamically detect sample locations using ArUco markers to recognize the samples’ general location and a custom-trained yolov5 object detection model to locate the crucibles’ centers. Afterward, the robot would be directed to pick up samples based on the crucibles’ calculated positions. In the second phase, the robot would move the sample to a secondary point, reorient its grip, and place the sample at the target location. In the final phase, the robot would determine whether the sample was intact and would bring it back to its original place if it was or raise an alarm. Using this algorithm, the robot was able to pick up different types of crucibles at varying positions. These results indicate that integrating machine-learning-assisted computer vision with robotic sample loaders can result in effective autonomous detection of samples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Machine learning models for segmentation and classification of cyanobacterial cells

Abstract Timelapse microscopy has recently been employed to study the metabolism and physiology of cyanobacteria at the single-cell level. However, the identification of individual cells in brightfield images remains a significant challenge. Traditional intensity-based segmentation algorithms perform poorly when identifying individual cells in dense colonies due to a lack of contrast between neighboring cells. Here, we describe a newly developed software package called Cypose which uses machine learning (ML) models to solve two specific tasks: segmentation of individual cyanobacterial cells, and classification of cellular phenotypes. The segmentation models are based on the Cellpose framework, while classification is performed using a convolutional neural network named Cyclass. To our knowledge, these are the first developed ML-based models for cyanobacteria segmentation and classification. When compared to other methods, our segmentation models showed improved performance and were able to segment cells with varied morphological phenotypes, as well as differentiate between live and lysed cells. We also found that our models were robust to imaging artifacts, such as dust and cell debris. Additionally, the classification model was able to identify different cellular phenotypes using only images as input. Together, these models improve cell segmentation accuracy and enable high-throughput analysis of dense cyanobacterial colonies and filamentous cyanobacteria.

Huffine, Clair A.↗
DOE OSTI2024

Decentralized Microgrid Protection Through Relative Fault Direction Classification: Preprint

Protection in inverter-based resources (IBRs) dominated microgrids generally face significant challenges due to the low fault current and inconsistent fault behaviors from IBRs. Recently, machine learning-based approaches have attracted considerable attention to address these challenges. This paper introduces a novel decentralized protection strategy for microgrids. The proposed method decomposes the protection challenge into several distributed learning tasks, enabling individual relays to autonomously determine the direction of faults using a binary classification framework based on support vector machine (SVM) algorithms. Following the distributed fault direction estimation, classifier outcomes are shared among neighboring relays, facilitating a local decision-making process to ascertain the presence of faults within the neighborhood. Finally, a tripping signal is generated based on the classifier results of each relay to operate the circuit breaker. To test and validate this approach, a 100% renewable microgrid model is simulated in MATLAB/Simulink. In the numerical analysis, the application of SVM classifiers in our approach yields impressive results: an average relay classification accuracy of 98%, and a 96% accuracy in circuit breaker control. These findings highlight the potential of machine-learning-based approaches in enhancing the efficiency and reliability of microgrid protection systems.

decentralized algorithm↗