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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Predicting peak day and peak hour of electricity demand with ensemble machine learning

Battery energy storage systems can be used for peak demand reduction in power systems, leading to significant economic benefits. Two practical challenges are 1) accurately determining the peak load days and hours and 2) quantifying and reducing uncertainties associated with the forecast in probabilistic risk measures for dispatch decision-making. In this study, we develop a supervised machine learning approach to generate 1) the probability of the next operation day containing the peak hour of the month and 2) the probability of an hour to be the peak hour of the day. Guidance is provided on preparation and augmentation of data as well as selection of machine learning models and decision-making thresholds. The proposed approach is applied to the Duke Energy Progress system and successfully captures 69 peak days out of 72 testing months with a 3% exceedance probability threshold. On 90% of the peak days, the actual peak hour is among the 2 h with the highest probabilities.

25 ENERGY STORAGE↗
DOE OSTI2025

Distinguishing Orbiting and Infalling Dark Matter Particles with Machine Learning

Dark matter halos are typically defined as spheres that enclose some overdensity, but these sharp, somewhat arbitrary boundaries introduce nonphysical artifacts such as backsplash halos, pseudo-volution, and an incomplete accounting of halo mass. A more physically motivated alternative is to define halos as the collection of particles that are physically orbiting within their potential well. However, existing methods to classify particles as orbiting or infalling suffer from trade-offs between accuracy, computational cost, and generalizability across cosmologies. We present an efficient, yet accurate, supervised machine learning approach using decision trees. The classification is based on only the particle radii and velocities at two epochs. Compared to detailed analysis of particle trajectories, we find that our model matches the classification of 97% of particles. Consequently, we are able to quickly and accurately reproduce the density profiles of the orbiting and infalling components out to many virial radii. We demonstrate that our model generalizes to a significantly different cosmology that lies outside the training data set. We make publicly available both our final model and the code to train similar models.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2015

An Active Learning Framework for Hyperspectral Image Classification Using Hierarchical Segmentation

Augmenting spectral data with spatial information for image classification has recently gained significant attention, as classification accuracy can often be improved by extracting spatial information from neighboring pixels. In this paper, we propose a new framework in which active learning (AL) and hierarchical segmentation (HSeg) are combined for spectral-spatial classification of hyperspectral images. The spatial information is extracted from a best segmentation obtained by pruning the HSeg tree using a new supervised strategy. The best segmentation is updated at each iteration of the AL process, thus taking advantage of informative labeled samples provided by the user. The proposed strategy incorporates spatial information in two ways: 1) concatenating the extracted spatial features and the original spectral features into a stacked vector and 2) extending the training set using a self-learning-based semi-supervised learning (SSL) approach. Finally, the two strategies are combined within an AL framework. The proposed framework is validated with two benchmark hyperspectral datasets. Higher classification accuracies are obtained by the proposed framework with respect to five other state-of-the-art spectral-spatial classification approaches. Moreover, the effectiveness of the proposed pruning strategy is also demonstrated relative to the approaches based on a fixed segmentation.

classification↗
NASA NTRSDate not supplied

Deep Neural Network Based Convergence Classification for Computational Fluid Dynamics

A supervised deep learning approach is coupled with heuristic convergence criteria to construct a classification model for detecting the completion (convergence) of computational fluid dynamics (CFD) simulations. Heuristic convergence criteria alone are not always sufficient and more complex decisions are often left to a human analyst. The proposed approach leverages heuristic convergence criteria as well as two deep neural network (DNN) models, one binary and one multi-class, to improve the efficiency and consistency of convergence classification across a wide range of flight regimes. The DNN models presented are each trained on a subset of ascent aerodynamic CFD simulations for NASA’s Space Launch System and were produced using NASA’s unstructured Navier-Stokes solver FUN3D. Individual solutions are analyzed intermittently and are classified as sufficiently converged, further iterations required, or switch from steady Reynolds Averaged Navier-Stokes (RANS) to unsteady RANS CFD based on the iterative histories of four aerodynamic coefficients. The implemented classification model is shown to produce solutions that closely correlate to solutions produced by a human analyst. This work lays groundwork for expanding the capabilities of DNNs for automating and improving more of the CFD process.

SLS↗
NASA NTRS1994

A neural network with modular hierarchical learning

This invention provides a new hierarchical approach for supervised neural learning of time dependent trajectories. The modular hierarchical methodology leads to architectures which are more structured than fully interconnected networks. The networks utilize a general feedforward flow of information and sparse recurrent connections to achieve dynamic effects. The advantages include the sparsity of units and connections, the modular organization. A further advantage is that the learning is much more circumscribed learning than in fully interconnected systems. The present invention is embodied by a neural network including a plurality of neural modules each having a pre-established performance capability wherein each neural module has an output outputting present results of the performance capability and an input for changing the present results of the performance capabilitiy. For pattern recognition applications, the performance capability may be an oscillation capability producing a repeating wave pattern as the present results. In the preferred embodiment, each of the plurality of neural modules includes a pre-established capability portion and a performance adjustment portion connected to control the pre-established capability portion.

Baldi, Pierre F.↗
DOE OSTI2021

Latent Representation Learning for Structural Characterization of Catalysts

Supervised machine learning-enabled mapping of the X-ray absorption near edge structure (XANES) spectra to local structural descriptors offers new methods for understanding the structure and function of working nanocatalysts. We briefly summarize a status of XANES analysis approaches by supervised machine learning methods. We present an example of an autoencoder-based, unsupervised machine learning approach for latent representation learning of XANES spectra. This new approach produces a lower-dimensional latent representation, which retains a spectrum–structure relationship that can be eventually mapped to physicochemical properties. Furthermore, the latent space of the autoencoder also provides a pathway to interpret the information content “hidden” in the X-ray absorption coefficient. Our approach (that we named latent space analysis of spectra, or LSAS) is demonstrated for the supported Pd nanoparticle catalyst studied during the formation of Pd hydride. By employing the low-dimensional representation of Pd K-edge XANES, the LSAS method was able to isolate the key factors responsible for the observed spectral changes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Sentinel

Network intrusion detection systems (NIDS) are commonplace in network security but they frequently employ algorithms that are computational demanding requiring hardware and software with significant power requirements. Two examples of such resource-intensive algorithms used for network security are regular expression matching and broader signature pattern matching which are commonly used in deep packet inspection (DPI). Network security algorithms that have large power requirements may be a challenge for low-power internet-of-things (IoT) environments, which generally lack the power resources to implement complex security measures like computationally expensive DPI at the edge. Furthermore, IoT environments incorporating 5G standalone networks have network latency constraints beyond just power that make DPI at the edge even more difficult. Programmable logic is ideally suited for machine learning inference for DPI because of its deep instruction level parallelism and single-cycle memory access. Machine learning approaches for DPI have been explored before using the programmable logic of field programmable gate arrays (FPGA) as a potential solution for NIDS approaches that would be power-suitable for IoT. However, those previous programmable logic NIDS approaches utilize either a supervised or unsupervised learning model. Sentinel utilizes the ensemble of these two machine learning approaches known as a semi-supervised approach which has shown promise in NIDS implementations. Sentinel provides a programmable logic implementation of a semi-supervised approach for DPI which operates at much lower power and latency than a GPU implementation with negligible loss of accuracy due to quantization through a logistic regressor.

Anderson, MatthewW [Idaho National Laboratory (INL↗
DOE OSTI2020

Semi-supervised Machine Learning Enables the Robust Detection of Multireference Character at Low Cost

Multireference (MR) diagnostics are common tools for identifying strongly correlated electronic structure that makes single-reference (SR) methods (e.g., density functional theory or DFT) insufficient for accurate property prediction. However, MR diagnostics typically require computationally demanding correlated wave function theory (WFT) calculations, and diagnostics often disagree or fail to predict MR effects on properties. To overcome these challenges, we introduce a semi-supervised machine learning (ML) approach with virtual adversarial training (VAT) of an MR classifier using 15 WFT and DFT MR diagnostics as inputs. In semi-supervised learning, only the most extreme SR or MR points are labeled, and the remaining point labels are learned. The resulting VAT model outperforms the alternatives, as quantified by the distinct property distributions of SR- and MR-classified molecules. Additionally, to reduce the cost of generating inputs to the VAT model, we leverage the VAT model’s robustness to noisy inputs by replacing WFT MR diagnostics with regression predictions in an MR decision engine workflow that preserves excellent performance. We demonstrate the transferability of our approach to larger molecules and those with distinct chemical composition from the training set. This MR decision engine demonstrates promise as a low-cost, high-accuracy approach to the automatic detection of strong correlation for predictive high-throughput screening.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Machine Learning Enabled Position Detection for 6.78 MHz UAV Wireless Power Transfer System

This paper presents a novel supervised machine learning (SML) approach for accurate position detection of the receiver coil in wireless power transfer (WPT) systems using only secondary-side electrical measurements, with applications in autonomous unmanned aerial vehicle (UAV) charging. The proposed method trains a supervised learning model to map measured secondary-side voltage and current features to the receiver’s spatial position with high precision. This enables an autonomous UAV to determine its location relative to the primary coil center, the optimal position for maximizing wireless charging efficiency. The sensing method is fully integrated into a standard WPT system, utilizing the same primary and secondary coils for both power transfer and position detection, thereby eliminating additional sensing hardware. The use of a 6.78 MHz operating frequency enhances positional sensitivity, as high-frequency near-field electromagnetic fields respond strongly to small spatial variations. Experimental validation is performed on a 30 W scaled prototype featuring a 210 mm × 140 mm primary coil, a 50 mm × 80 mm receiver coil, and a 15 mm air gap. Results demonstrate reliable position estimation and a strong correlation between predicted position and optimal coil alignment. This integrated framework unifying position detection and wireless charging offers a promising foundation for future autonomous electric vertical takeoff and landing (eVTOL) systems, enabling compact, hardware-efficient, and high-accuracy charging solutions.

Colak, Kerim [New York University]↗
DOE OSTI2019

Adaptive Learning for Concept Drift in Application Performance Modeling

Supervised learning is a promising approach for modeling the performance of applications running on large HPC systems. A key assumption in supervised learning is that the training and testing data are obtained under the same conditions. However, in production HPC systems these conditions might not hold because the conditions of the platform can change over time as a result of hardware degradation, hardware replacement, software upgrade, and configuration updates. These changes could alter the data distribution in a way that affects the accuracy of the predictive performance models and render them less useful; this phenomenon is referred to as concept drift. Ignoring concept drift can lead to suboptimal resource usage and decreased efficiency when those performance models are deployed for tuning and job scheduling in production systems. To address this issue, we propose a concept-drift-aware predictive modeling approach that comprises two components: (1) an online Bayesian changepoint detection method that can automatically identify the location of events that lead to concept drift in near-real time and (2) a moment-matching transformation inspired by transfer learning that converts the training data collected before the drift to be useful for retraining. We use application input/output performance data collected on Cori, a production supercomputing system at the National Energy Research Scientific Computing Center, to demonstrate the effectiveness of our approach. The results show that concept-drift-aware models obtain significant improvement in accuracy; the median absolute error of the best-performing Gaussian process regression improved by 58.8% when the proposed approaches were used.

adaptive learning↗
DOE OSTI2025

Anomaly Detection in Seismic Data with Deep Learning: Application for Instrument Failure Detection and Forecasting

Seismic data quality assessment (QA) is the first and one of the most important steps before conducting any further data analysis. Traditional methods involve checking various metrics, such as spike detection and power spectral density, by setting strict thresholds or comparing data against synthetic benchmarks. However, these approaches often rely on pre-existing knowledge and assumptions about data anomalies, leading to potential misclassification of unusual cases. Here, in this study, we propose a deep autoencoder model, an unsupervised learning approach that evaluates data quality without making assumptions about normal and anomalous data, which can be used to identify deviations in recorded data that may indicate nascent instrument failure. We test the model with the U.S. International Monitoring System (IMS) seismic stations and demonstrate the capability of detecting anomalies on a monthly scale. This could prompt station operators to examine potential problems early, allowing sufficient time for instrument maintenance to prevent data outages. In addition, we use a new manually selected testing dataset to compare our model performance against two supervised machine learning (ML) approaches and a standard QA package, as baseline models. When applied to the dataset containing known data anomalies, performance of the supervised and unsupervised ML approaches is similar, with an accuracy of 88.1% for our model compared to ∼90% for the supervised ML approach and 78.2% for the standard QA package. Our model outperforms the baseline models when applied to new stations, where new types of data anomalies can be station-specific and not included in the training dataset. Finally, we show model transferability by training the model with data from the Global Seismograph Network only and applying it to the IMS network data. The results suggest that our model is generalizable and can be applied to new stations with good accuracy.

Lin, Jiun-Ting [Lawrence Livermore National Labora↗
DOE OSTI2023

Deep Learning Approach for High-accuracy Electron Counting of Monolithic Active Pixel Sensor-type Direct Electron Detectors at Increased Electron Dose

Abstract Electron counting can be performed algorithmically for monolithic active pixel sensor direct electron detectors to eliminate readout noise and Landau noise arising from the variability in the amount of deposited energy for each electron. Errors in existing counting algorithms include mistakenly counting a multielectron strike as a single electron event, and inaccurately locating the incident position of the electron due to lateral spread of deposited energy and dark noise. Here, we report a supervised deep learning (DL) approach based on Faster region-based convolutional neural network (R-CNN) to recognize single electron events at varying electron doses and voltages. The DL approach shows high accuracy according to the near-ideal modulation transfer function (MTF) and detector quantum efficiency for sparse images. It predicts, on average, 0.47 pixel deviation from the incident positions for 200 kV electrons versus 0.59 pixel using the conventional counting method. The DL approach also shows better robustness against coincidence loss as the electron dose increases, maintaining the MTF at half Nyquist frequency above 0.83 as the electron density increases to 0.06 e−/pixel. Thus, the DL model extends the advantages of counting analysis to higher dose rates than conventional methods.

Materials Science↗
NASA NTRS2022

A Generalized Approach to Aircraft Trajectory Prediction via Supervised Deep Learning

As research advances diverse forms and missions of aircraft, the National Airspace System (NAS) will become increasingly crowded, limiting current communications resources to accommodate aviation operations. Ongoing research proposes a paradigm of airspace communications, such that resources are autonomously and dynamically allocated via intelligent agents; this allocation requires accurate representations of the NAS, including the predicted positions of aircraft. State-of-the-art research emphasizes the importance of a hybrid-recurrent framework for trajectory prediction and compares the impact of commonly considered weather data on prediction accuracy. However, current research has been limited in its scope of efforts, frequently utilizing a unique flight route, architecture, set of weather data, and date range. This article considers the challenges of generalizing hybrid-recurrent predictive models for flight trajectories. Results illustrate an increase in error variance when identical models are trained over a generalized set of flights; this may be mitigated with careful tuning of hyperparameters, both in the network structure and optimization algorithms. Even so, an irreducible vertical error was identified, resulting from the complex takeoff and landing procedures which can not be correlated to functions of weather or additional assumptions of aircraft behavior. Finally, the use of a test route indicates that generalized models still do not possess sufficient knowledge for general aircraft predictions, with mean error increases ranging from 70-500%. These results illustrate the need for continued efforts on improving model versatility, as well as potential limitations for spectrum allocation near airports and other centers.

Nathan Schimpf↗
DOE OSTI2026

Emerging anomaly detection techniques for electronic health records: A survey

Background Anomaly detection in electronic health records (EHRs) is a cornerstone of biomedical informatics, with direct implications for patient safety, clinical decision-making, and the prevention of healthcare fraud. Once guided primarily by simple rule-based methods, the field has advanced rapidly, driven by increased computing power, richer and more detailed health data, and the rise of machine learning and deep learning techniques. The objective of this paper is to provide a comprehensive overview of modern approaches to detecting anomalies in EHRs, outlining their strengths, limitations, and relevance to key healthcare challenges. We review traditional statistical methods alongside newer ML- and DL-based strategies and hybrid models, with particular attention to how these techniques support transparency and build clinical trust. Methods This paper presents a thorough and critical survey through systematic review (PRISMA-based) of the latest anomaly detection strategies in time-sequence data domains within electronic health record systems. Results We explore a broad spectrum of methodologies, including statistical models, supervised and unsupervised learning approaches, hybrid frameworks, and state-of-the-art ML-based techniques that collectively advance the precision and scalability of detecting anomalies in complex clinical datasets. In addition to mapping current capabilities, we address the enduring challenges that hinder widespread implementation and provide a forward-looking perspective on the future of anomaly detection in the data-rich landscape of modern healthcare. Summary The advancement in AI-based approaches is reported along with the basic principles of the individual approaches and their applicability. The increased availability of high-quality data, advancements in DL approaches, and enhanced computation power are leading to more frequent adaptation of DL-based approaches. Emerging DL-based approaches that have been adapted in other domains or recently applied in the EHR domain are also discussed in detail. Although DL-based approaches can improve model predictions by incorporating comorbidities, their application is limited in low-frequency data domains (e.g., when the total available data remains in the single digits). Therefore, the user must carefully consider the application based on data availability.

Anomaly detection↗
DOE OSTI2020

Separation of overlapping sources in bioacoustic mixtures

Source separation is an important step to study signals that are not easy or possible to record individually. Common methods such as deep clustering, however, cannot be applied to signals of an unknown number of sources and/or signals that overlap in time and/or frequency—a common problem in bioacoustic recordings. This work presents an approach, using a supervised learning framework, to parse individual sources from a spectrogram of a mixture that contains a variable number of overlapping sources. This method isolates individual sources in the time-frequency domain using only one function but in two separate steps, one for the detection of the number of sources and corresponding bounding boxes, and a second step for the segmentation in which masks of individual sounds are extracted. This approach handles the full separation of overlapping sources in both time and frequency using deep neural networks in an applicable manner to other tasks such as bird audio detection. This paper presents method and reports on its performance to parse individual bat signals from recordings containing hundreds of overlapping bat echolocation signals. This method can be extended to other bioacoustic recordings with a variable number of sources and signals that overlap in time and/or frequency.

Izadi, Mohammad Rasool↗
DOE OSTI2025

Physics-guided dual implicit neural representations for source separation

Significant challenges exist in efficient data analysis of most advanced experimental and observational techniques because the collected signals often include unwanted contributions, such as background and signal distortions, that can obscure the physically relevant information of interest. To address this, we have developed a self-supervised machine-learning approach for source separation using a dual implicit neural representation framework that jointly trains two neural networks: one for approximating distortions of the physical signal of interest and the other for learning the effective background contribution. Our method learns directly from the raw data by minimizing a reconstruction-based loss function without requiring labeled data or pre-defined dictionaries. We demonstrate the effectiveness of our framework by considering a challenging case study involving large-scale simulated, as well as experimental, momentum-energy-dependent inelastic neutron scattering data in a four-dimensional parameter space, characterized by heterogeneous background contributions and unknown distortions to the target signal. The method is found to successfully separate physically meaningful signals from a complex or structured background even when the signal characteristics vary across all four dimensions of the parameter space. An analytical approach that informs the choice of the regularization parameter is presented. Our method offers a versatile framework for addressing source separation problems across diverse domains, ranging from superimposed signals in astronomical measurements to structural features in biomedical image reconstructions.

47 OTHER INSTRUMENTATION↗