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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

A comparison of neural network and fuzzy clustering techniques in segmenting magnetic resonance images of the brain

Magnetic resonance (MR) brain section images are segmented and then synthetically colored to give visual representations of the original data with three approaches: the literal and approximate fuzzy c-means unsupervised clustering algorithms and a supervised computational neural network, a dynamic multilayered perception trained with the cascade correlation learning algorithm. Initial clinical results are presented on both normal volunteers and selected patients with brain tumors surrounded by edema. Supervised and unsupervised segmentation techniques provide broadly similar results. Unsupervised fuzzy algorithms were visually observed to show better segmentation when compared with raw image data for volunteer studies. However, for a more complex segmentation problem with tumor/edema or cerebrospinal fluid boundary, where the tissues have similar MR relaxation behavior, inconsistency in rating among experts was observed.

Hall, Lawrence O.↗
DOE OSTI2021

Adaptive hyperparameter updating for training restricted Boltzmann machines on quantum annealers

Restricted Boltzmann Machines (RBMs) have been proposed for developing neural networks for a variety of unsupervised machine learning applications such as image recognition, drug discovery, and materials design. The Boltzmann probability distribution is used as a model to identify network parameters by optimizing the likelihood of predicting an output given hidden states trained on available data. Training such networks often requires sampling over a large probability space that must be approximated during gradient based optimization. Quantum annealing has been proposed as a means to search this space more efficiently which has been experimentally investigated on D-Wave hardware. D-Wave implementation requires selection of an effective inverse temperature or hyperparameter (β) within the Boltzmann distribution which can strongly influence optimization. Here, we show how this parameter can be estimated as a hyperparameter applied to D-Wave hardware during neural network training by maximizing the likelihood or minimizing the Shannon entropy. We find both methods improve training RBMs based upon D-Wave hardware experimental validation on an image recognition problem. Neural network image reconstruction errors are evaluated using Bayesian uncertainty analysis which illustrate more than an order magnitude lower image reconstruction error using the maximum likelihood over manually optimizing the hyperparameter. The maximum likelihood method is also shown to out-perform minimizing the Shannon entropy for image reconstruction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Deep unsupervised learning using spike-timing-dependent plasticity

Abstract Spike-timing-dependent plasticity (STDP) is an unsupervised learning mechanism for spiking neural networks that has received significant attention from the neuromorphic hardware community. However, scaling such local learning techniques to deeper networks and large-scale tasks has remained elusive. In this work, we investigate a Deep-STDP framework where a rate-based convolutional network, that can be deployed in a neuromorphic setting, is trained in tandem with pseudo-labels generated by the STDP clustering process on the network outputs. We achieve 24.56% higher accuracy and 3.5 × faster convergence speed at iso-accuracy on a 10-class subset of the Tiny ImageNet dataset in contrast to a k -means clustering approach.

Lu, Sen↗
DOE OSTI2024

Artificial Intelligence/Machine Learning Technology in Power System Applications

The primary purpose of this report is to provide an overview of the advancement in artificial intelligence and machine learning (AI/ML) technologies and their applications in power systems. It offers a foundation for understanding the transformative role of AI/ML in power systems and aims to stimulate further research and development in this area. This report begins with a historical perspective of AI/ML technologies, then explores their advancement to today’s prominence. The document highlights key contributors to the success of AI/ML technologies, including increased computational power, greater data availability, innovative algorithms, and advanced tools. It further introduces various AI/ML techniques, including supervised, unsupervised and reinforcement learning, graph neural networks, and generative AI. It also emphasizes the critical importance of ensuring the safety, security, and trustworthiness of these AI/ML techniques within this sector. The report reviews the recent representative advancements in various power system applications enhanced by AI/ML techniques, underscoring key developments and their transformative impact as evidenced by numerous studies. It also explores both the opportunities and challenges associated with the application of AI/ML technologies to improve power system applications. While the report extensively covers AI/ML applications in power systems, focusing primarily on the technical and operational aspects, it may not thoroughly explore the sociopolitical, economic, and broader regulatory implications of AI/ML integration in power systems. AI/ML techniques hold significant potential for enhancing power system applications; however, they are not omnipotent. It is crucial to acknowledge their limitations and understand that they may not be able to address all challenges in the power system domain. Various factors must be considered that influence the implementation, adoption, and effectiveness of AI/ML solutions, including but not limited to safety, security, transparency, and trustworthiness. Additionally, the incorporation of advanced human–machine interfaces is essential, as it enables humans to validate the effectiveness of AI/ML solutions while remaining actively engaged, fostering trust in AI/ML deployment. Finally, the report summarizes AI/ML research activities supported by the Department of Energy (DOE) Office of Electricity (OE) through the Advanced Grid Modeling (AGM) program. The work aligns with the interests and mission of DOE-OE AGM, with the report serving as a resource for identifying existing progress and for pinpointing future applications within AI/ML that need further exploration and support.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Unsupervised learning for identifying events in active target experiments

This article presents novel applications of unsupervised machine learning methods to the problem of event separation in an active target detector, the Active-Target Time Projection Chamber (AT-TPC). The overarching goal is to group similar events in the early stages of the data analysis, thereby improving efficiency by limiting the computationally expensive processing of unnecessary events. The application of unsupervised clustering algorithms to the analysis of two-dimensional projections of particle tracks from a resonant proton scattering experiment on 46 Ar is introduced. We explore the performance of autoencoder neural networks and a pre-trained VGG16 Simonyan and Zisserman (2015) convolutional neural network. We study clustering performance on both data from a simulated 46 Ar experiment, and real events from the AT-TPC detector. We find that a -means algorithm applied to simulated data in the VGG16 latent space forms almost perfect clusters. Additionally, the VGG16+-means approach finds high purity clusters of proton events for real experimental data. Here, we also explore the application of clustering the latent space of autoencoder neural networks for event separation. While these networks show strong performance, they suffer from high variability in their results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Monitoring Fracture Hydromechanical Evolution in the Lab and Field Using Unsupervised Metric Learning

Fractures evolve in time through thermal‐hydraulic‐mechanical‐chemical (THMC) processes that alter their long‐range hydraulic transport properties and modify subsurface behavior and activities. The location of subsurface fractures makes it necessary to use remote sensing techniques such as passive or active seismic monitoring for fracture characterization. In this paper, we develop a machine learning approach to monitor the evolution of fracture properties using passive seismic sources in a laboratory setting and using active seismic monitoring from the Sanford Underground Research Facility in Lead, South Dakota, at a depth of 1.25 km in amphibolite rock during stimulation of natural fractures as well as during induced fracturing. The unsupervised metric learning technique applies tandem neural networks (twin (Siamese) or triplet) with contrastive loss and adaptive margins to track slowly varying systems for which class or similarity labels are not available. The approach adopts locality‐sensitive hashing to divide time‐ordered contiguous data into an arbitrary number of pseudo‐classes. Contrastive‐loss training with many hash bins generates an evolving latent‐space trajectory. This approach enables unsupervised metric learning for seismic data stacks under the condition of contiguous state sampling and slowly varying fracture properties. The displacement discontinuity theory provides a mechanistic foundation for the fracture‐dependent trajectories that are related to relaxation of fractures with time‐dependent specific stiffness responding to changes in stress or fluid saturation.

02 PETROLEUM↗
DOE OSTI2023

Efficient solutions of fermionic systems using artificial neural networks

In this study, we explore the similarities and differences between variational Monte Carlo techniques that employ conventional and artificial neural network representations of the ground-state wave function for fermionic systems. Our primary focus is on shallow neural network architectures, specifically the restricted Boltzmann machine, and we examine unsupervised learning algorithms that are appropriate for modeling complex many-body correlations. We assess the advantages and drawbacks of conventional and neural network wave functions by applying them to a range of circular quantum dot systems. Our findings, which include results for systems containing up to 90 electrons, emphasize the efficient implementation of these methods on both homogeneous and heterogeneous high-performance computing facilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A systematic approach to generating accurate neural network potentials: the case of carbon

Abstract Availability of affordable and widely applicable interatomic potentials is the key needed to unlock the riches of modern materials modeling. Artificial neural network-based approaches for generating potentials are promising; however, neural network training requires large amounts of data, sampled adequately from an often unknown potential energy surface. Here we propose a self-consistent approach that is based on crystal structure prediction formalism and is guided by unsupervised data analysis, to construct an accurate, inexpensive, and transferable artificial neural network potential. Using this approach, we construct an interatomic potential for carbon and demonstrate its ability to reproduce first principles results on elastic and vibrational properties for diamond, graphite, and graphene, as well as energy ordering and structural properties of a wide range of crystalline and amorphous phases.

Chemistry↗
DOE OSTI2024

Errant Beam Prognostics with Machine Leaning at SNS Accelerator

Particle Accelerators are complex machine with many pieces of equipment running in synchronization to deliver required beam. However, faults in particle accelerators reduce the availability of the beam for experiments affecting the overall science output. To avoid these faults, we apply anomaly detection techniques to predict any unusual behavior and perform preemptive actions to improve the total availability. Many researchers have adopted semi-supervised Machine Learning (ML) methods such as auto-encoders and variational auto-encoders for such tasks. However, supervised ML techniques designed for similarity learning such as Siamese Neural Network (SNN) can outperform semi-supervised or unsupervised methods for anomaly prediction. One of the challenges associated with application of ML models to particle accelerators is the variability in observed data over time due to system configuration changes. We employ conditional models such as Conditional Siamese Neural Networks (CSNN), and Conditional-VAE (CVAE) to learn the variability in the data by using beam configuration parameters as conditional input. We apply these models for errant beam prediction at Spallation Neutron Source accelerator under different system configurations and compare their performance. We demonstrate that CSNN outperforms CVAE in our application. This talk will present the data source, collection, analysis, data-preparation, model development, hyper-parameter studies and the results.

Rajput, Kishansingh↗
DOE OSTI2025

DONUT: physics-aware machine learning for real-time X-ray nanodiffraction analysis

Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a significant bottleneck, often hindered by artifacts and computational demands. In scanning X-ray nanodiffraction microscopy, which is widely used to spatially resolve structural heterogeneities, this challenge is compounded by the convolution of the divergent beam with the sample’s local structure. To address this, we introduce DONUT (Diffraction with Optics for Nanobeam by Unsupervised Training), a physics-aware neural network designed for the rapid and automated analysis of nanobeam diffraction data. By incorporating a differentiable geometric diffraction model directly into its architecture, DONUT learns to predict crystal lattice strain and orientation in real-time. Crucially, this is achieved without reliance on labeled datasets or pre-training, overcoming a fundamental limitation for supervised machine learning in X-ray science. We demonstrate experimentally that DONUT accurately extracts all features within the data over 200 times more efficiently than conventional fitting methods.

Materials science↗
DOE OSTI2025

DONUT: Physics-aware Machine Learning for Real-time X-ray Nanodiffraction Analysis

SF-25-088 Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a significant bottleneck, often hindered by artifacts and computational demands. In scanning X-ray nanodiffraction microscopy, which is widely used to spatially resolve structural heterogeneities, this challenge is compounded by the convolution of the divergent beam with the sample’s local structure. To address this, we introduce DONUT (Diffraction with Optics for Nanobeam by Unsupervised Training), a physics-aware neural network designed for the rapid and automated analysis of nanobeam diffraction data. By incorporating a differentiable geometric diffraction model directly into its architecture, DONUT learns to predict crystal lattice strain and orientation in real-time. Crucially, this is achieved without reliance on labeled datasets or pre-training, overcoming a fundamental limitation for supervised machine learning in X-ray science. We demonstrate experimentally that DONUT accurately extracts all features within the data over 200 times more efficiently than conventional fitting methods.

Zhou, Tao [Argonne National Laboratory (ANL), Argo↗
NASA NTRS1993

Classification of multispectral image data by the Binary Diamond neural network and by nonparametric, pixel-by-pixel methods

The classification of multispectral image data obtained from satellites has become an important tool for generating ground cover maps. This study deals with the application of nonparametric pixel-by-pixel classification methods in the classification of pixels, based on their multispectral data. A new neural network, the Binary Diamond, is introduced, and its performance is compared with a nearest neighbor algorithm and a back-propagation network. The Binary Diamond is a multilayer, feed-forward neural network, which learns from examples in unsupervised, 'one-shot' mode. It recruits its neurons according to the actual training set, as it learns. The comparisons of the algorithms were done by using a realistic data base, consisting of approximately 90,000 Landsat 4 Thematic Mapper pixels. The Binary Diamond and the nearest neighbor performances were close, with some advantages to the Binary Diamond. The performance of the back-propagation network lagged behind. An efficient nearest neighbor algorithm, the binned nearest neighbor, is described. Ways for improving the performances, such as merging categories, and analyzing nonboundary pixels, are addressed and evaluated.

Salu, Yehuda↗
NASA NTRSDate not supplied

Early Information Parameter-Set Analysis for Satellite Close Approaches using Machine Learning

Understanding orbital mechanics is essential in space flight and navigation applications, and leveraging modern force models for flight path projection remains an important aspect in space mission design and operation. However, force models do not capture all the dynamics or perturbations in the space environment and thus are subject to errors in predicting the state vectors. The further out the predicted miss distance between spacecraft is from the time of closest approach (TCA), the larger the propagated errors in the predicted miss distance at TCA is. The dependency on these force models for spacecraft flight state prediction calls for a more reliable method that can quantify, or even reduce, these propagated errors. With recent advances in the field artificial intelligence, specifically in machine and deep learning algorithms, a model that implements these approaches can improve on the modern force model approach. The goal for this work is to provide an early-information decision-making threshold, in order to prioritize risk assessment implementation, given the ongoing increase of space objects. In analyzing the relationship of several parameters from conjunction data messages(CDMs) and solar information, early information becomes viable in miss distance prediction with unsupervised learning techniques, which learn the parameters that are linked together with miss distance and probability of collision (Pc) variables. Another approach implemented for identifying relationships within CDMs is supervised learning, in which a shallow neural network binary classifier learns to distinguish events with Pc values¡108. These parameters detected in the unsupervised process are then applied to a regression neural network, which predicts the miss distance at TCA for a specific event within a given uncertainty bound. For the regression neural network, a Long Short Term Memory (LSTM) neural network is implemented, which yields memory about each time step in an event. Using an LSTM network, the model learns to predict miss distance within 0.2km of the value measured at TCA. Although there is a limited amount of "close miss" data to train a network, the network learns to associate parameters, like large energy dissipation rates with the secondary object, with an elevated Pc

Brianna I. Robertson↗
DOE OSTI2023

Universal and interpretable classification of atomistic structural transitions via unsupervised graph learning

Materials processing often occurs under extreme dynamic conditions leading to a multitude of unique structural environments. These structural environments generally occur at high temperatures and/or high pressures, often under non-equilibrium conditions, which results in drastic changes in the material's structure over time. Computational techniques, such as molecular dynamics simulations, can probe the atomic regime under these extreme conditions. However, characterizing the resulting diverse atomistic structures as a material undergoes extreme changes in its structure has proved challenging due to the inherently non-linear relationship between structures as large-scale changes occur. Here, we introduce SODAS++, a universal graph neural network framework, that can accurately and intuitively quantify the atomistic structural evolution corresponding to the transition between any two arbitrary phases. We showcase SODAS++ for both solid–solid and solid–liquid transitions for systems of increasing geometric and chemical complexity, such as colloidal systems, elemental Al, rutile and amorphous TiO 2 , and the non-stoichiometric ternary alloy Ag 26 Au 5 Cu 19 . Finally, we show that SODAS++ can accurately quantify all transitions in a physically interpretable manner, showcasing the power of unsupervised graph neural network encodings for capturing the complex and non-linear pathway, a material's structure takes as it evolves.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Robust errant beam prognostics with conditional modeling for particle accelerators

Abstract Particle accelerators are complex and comprise thousands of components, with many pieces of equipment running at their peak power. Consequently, they can fault and abort operations for numerous reasons, lowering efficiency and science output. To avoid these faults, we apply anomaly detection techniques to predict unusual behavior and perform preemptive actions to improve the total availability. Supervised machine learning (ML) techniques such as siamese neural network models can outperform the often-used unsupervised or semi-supervised approaches for anomaly detection by leveraging the label information. One of the challenges specific to anomaly detection for particle accelerators is the data’s variability due to accelerator configuration changes within a production run of several months. ML models fail at providing accurate predictions when data changes due to changes in the configuration. To address this challenge, we include the configuration settings into our models and training to improve the results. Beam configurations are used as a conditional input for the model to learn any cross-correlation between the data from different conditions and retain its performance. We employ conditional siamese neural network (CSNN) models and conditional variational auto encoder (CVAE) models to predict errant beam pulses at the spallation neutron source under different system configurations and compare their performance. We demonstrate that CSNNs outperform CVAEs in our application.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Unsupervised Azimuth Estimation of Solar Arrays in Low-Resolution Satellite Imagery through Semantic Segmentation and Hough Transform

This paper explains the use of a convolutional neural network (CNN) to segment solar panels in a satellite image containing solar arrays, and extract associated metadata from the arrays. A novel unsupervised technique is introduced to estimate the azimuth of each individual solar panel from the predicted mask of the convolutional neural network. This pipeline was developed with the aim of extracting necessary metadata for a solar installation, using only a set of latitude–longitude coordinates. Azimuth prediction results for 669 individual solar installations associated with 387 sites located across the United States are provided. A mean average error and median average error of 21.65 degrees and 1.0 degrees were obtained, respectively, when predicting the azimuth of the solar fleet data set, with about 80% of the results within an error of zero degrees of the ground truth azimuth value and about 85% within an error of 25 degrees. The predicted azimuth was then used to estimate the energy conversion of the solar arrays. Results show a 90.9 and 90.6 R-squared value for estimating alternating current (AC) and direct current (DC) energy, respectively, and a mean absolute percentage error (MAPE) of 1.70% in estimating the alternating current (AC) energy using the fully automated algorithm.

14 SOLAR ENERGY↗
DOE OSTI2024

Single Channel Infrasound Detection Using Machine Learning

Infrasound, low frequency sound less than 20 Hz, is generated by both natural and anthropogenic sources. Infrasound sensors measure pressure fluctuations only in the vertical plane and are single channel. However, the most robust infrasound signal detection methods rely on stations with multiple sensors (arrays), despite the fact that these are sparse. Automated methods developed for seismic data, such as short-term average to long-term average ratio (STA/LTA), often have a high false alarm rate when applied to infrasound data. Leveraging single channel infrasound stations has the potential to decrease signal detection limits, though this cannot be done without a reliable detection method. Therefore, this report presents initial results using (1) a convolutional neural network (CNN) to detect infrasound signals and (2) unsupervised learning to gain insight into source type.

47 OTHER INSTRUMENTATION↗
NASA NTRS1989

Unsupervised learning in neurodynamics using example-interaction approach

A new concept for unsupervised learning based upon examples introduced to the neural network is proposed. Each example is considered as an interpolation node of the velocity field in the phase space. The velocities at these nodes are selected such that all the streamlines diverge to an attracting set imbedded in the subspace occupied by the cluster of examples. The synaptic interconnections are found from the minimization of the strength energy, while the node velocities play the role of constraints.

Zak, Michail↗