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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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DOE OSTI2025

Is tokenization needed for masked particle modeling?

In this work, we significantly enhance masked particle modeling (MPM), a self-supervised learning scheme for constructing highly expressive representations of unordered sets relevant to developing foundation models for high-energy physics. In MPM, a model is trained to recover the missing elements of a set, a learning objective that requires no labels and can be applied directly to experimental data. We achieve significant performance improvements over previous work on MPM by addressing inefficiencies in the implementation and incorporating a more powerful decoder. We compare several pre-training tasks and introduce new reconstruction methods that utilize conditional generative models without data tokenization or discretization. We show that these new methods outperform the tokenized learning objective from the original MPM on a new test bed for foundation models for jets, which includes using a wide variety of downstream tasks relevant to jet physics, such as classification, secondary vertex finding, and track identification.

conditional generative models↗

DOE OSTI2021

Unleashing the Power of Industrial Big Data through Scalable Manual Labeling

Big Data plays a central role in the remarkable results achieved by Machine Learning (ML) and especially Deep Learning (DL) in the recent years. However, the difficulty in obtaining a reasonable amount of labeled samples limits ML/DL application in various domains, including industrial equipment and system monitoring. In this paper the need for methods that turn manual labeling into a scalable process is highlighted. A real world problem is analyzed for which weak supervision methods, successfully employed in other domains, did not produce acceptable results. An alternative approach based on clustering ensembles is described and tested, achieving good performance.

Paes Leao, Bruno↗

DOE OSTI2022

Machine Learning for Slow Spill Regulation in the Fermilab Delivery Ring for Mu2e

A third-integer resonant slow extraction system is being developed for the Fermilab’s Delivery Ring to deliver protons to the Mu2e experiment. During a slow extraction process, the beam on target is liable to experience small intensity variations due to many factors. Owing to the experiment’s strict requirements in the quality of the spill, a Spill Regulation System (SRS) is currently under design. The SRS primarily consists of three components - slow regulation, fast regulation, and harmonic content tracker. In this presentation, we shall present the investigations of using Machine Learning (ML) in the fast regulation system, including further optimizations of PID controller gains for the fast regulation, prospects of an ML agent completely replacing the PID controller using supervised learning schemes such as Long Short-Term Memory (LSTM) and Gated Recurrent Unit (GRU) ML models, the simulated impact and limitation of machine response characteristics on the effectiveness of both PID and ML regulation of the spill. We also present here nascent results of Reinforcement Learning efforts, including continuous-action soft actor-critic methods, to regulate the spill rate.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

Battery Charge Curve Prediction via Feature Extraction and Supervised Machine Learning

Real-time onboard state monitoring and estimation of a battery over its lifetime is indispensable for the safe and durable operation of battery-powered devices. In this study, a methodology to predict the entire constant-current cycling curve with limited input information that can be collected in a short period of time is developed. A total of 10 066 charge curves of LiNiO 2 -based batteries at a constant C-rate are collected. With the combination of a feature extraction step and a multiple linear regression step, the method can accurately predict an entire battery charge curve with an error of < 2% using only 10% of the charge curve as the input information. The method is further validated across other battery chemistries (LiCoO 2 -based) using open-access datasets. The prediction error of the charge curves for the LiCoO 2 -based battery is around 2% with only 5% of the charge curve as the input information, indicating the generalization of the developed methodology for predicting battery cycling curves. The developed method paves the way for fast onboard health status monitoring and estimation for batteries during practical applications.

25 ENERGY STORAGE↗

DOE OSTI2021

Weakly Supervised Minirhizotron Image Segmentation with MIL-CAM

We present a multiple instance learning class activation map (MIL-CAM) approach for pixel-level minirhizotron image segmentation given weak image-level labels. Minirhizotrons are used to image plant roots in situ. Minirhizotron imagery is often composed of soil containing a few long and thin root objects of small diameter. The roots prove to be challenging for existing semantic image segmentation methods to discriminate. In addition to learning from weak labels, our proposed MILCAM approach re-weights the root versus soil pixels during analysis for improved performance due to the heavy imbalance between soil and root pixels. Furthermore, the proposed approach outperforms other attention map and multiple instance learning methods for localization of root objects in minirhizotron imagery.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Machine Learning for Predicting Multipactor Susceptibility in Planar RF Structures

Multipactor discharge is a persistent challenge in high-power microwave (HPM) and accelerator systems, where secondary electron avalanches can cause heating, vacuum degradation, and failure. This work presents the first supervised machine learning (ML) framework for multipactor prediction, trained on high-fidelity 3D Particle-in-Cell (PIC) simulation data in planar geometries. The model maps operational, geometric, and material-dependent secondary electron yield (SEY) parameters to the time-averaged electron growth rate, enabling rapid reconstruction of susceptibility charts. Among the models evaluated, tree-based ensemble methods such as Random Forest and Extra Trees demonstrate superior generalization to unseen materials compared to neural networks such as multilayer perceptron (MLP). Performance metrics, including Intersection over Union (IoU), Structural Similarity Index Measure (SSIM), and Pearson correlation, show close agreement with simulation benchmarks. Principal Component Analysis attributes generalization limits to material feature-space disjointedness.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Deep graph representations embed network information for robust disease marker identification

We report that the accurate disease diagnosis and prognosis based on omics data rely on the effective identification of robust prognostic and diagnostic markers that reflect the states of the biological processes underlying the disease pathogenesis and progression. In this article, we present GCNCC, a Graph Convolutional Network-based approach for Clustering and Classification, that can identify highly effective and robust network-based disease markers. Based on a geometric deep learning framework, GCNCC learns deep network representations by integrating gene expression data with protein interaction data to identify highly reproducible markers with consistently accurate prediction performance across independent datasets possibly from different platforms. GCNCC identifies these markers by clustering the nodes in the protein interaction network based on latent similarity measures learned by the deep architecture of a graph convolutional network, followed by a supervised feature selection procedure that extracts clusters that are highly predictive of the disease state. By benchmarking GCNCC based on independent datasets from different diseases (psychiatric disorder and cancer) and different platforms (microarray and RNA-seq), we show that GCNCC outperforms other state-of-the-art methods in terms of accuracy and reproducibility.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Extracting forces from noisy dynamics in dusty plasmas

Extracting environmental forces from noisy data is a common yet challenging task in complex physical systems. Machine learning (ML) represents a robust approach to this problem, yet is mostly tested on simulated data with known parameters. Here we use supervised ML to extract the electrostatic, dissipative, and stochastic forces acting on micron-sized charged particles levitated in an argon plasma (dusty plasma). By tracking the sub-pixel motion of particles in subsequent images, we successfully estimated these forces from their random motion. The experiments contained important sources of non-Gaussian noise, such as drift and pixel-locking, representing a data mismatch from methods used to analyze simulated data with purely Gaussian noise. Our model was trained on simulated particle trajectories that included all of these artifacts, and used more than 100 dynamical and statistical features, resulting in a prediction with 50\% better accuracy than conventional methods. Lastly, in systems with two interacting particles, the model provided non-contact measurements of the particle charge and Debye length in the plasma environment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Knowledge Distillation for Anomaly Detection

Unsupervised deep learning techniques are widely used to identify anomalous behaviour. The performance of such methods is a product of the amount of training data and the model size. However, the size is often a limiting factor for the deployment on resource-constrained devices. Here, we present a novel procedure based on knowledge distillation for compressing an unsupervised anomaly detection model into a supervised deployable one and we suggest a set of techniques to improve the detection sensitivity. Compressed models perform comparably to their larger counterparts while significantly reducing the size and memory footprint.

Pol, Adrian Alan↗

DOE OSTI2022

Seismic Waveform Inversion Capability on Resource-Constrained Edge Devices

Seismic full wave inversion (FWI) is a widely used non-linear seismic imaging method used to reconstruct subsurface velocity images, however it is time consuming, has high computational cost and depend heavily on human interaction. Recently, deep learning has accelerated it’s use in several data-driven techniques, however most deep learning techniques suffer from overfitting and stability issues. In this work, we propose an edge computing-based data-driven inversion technique based on supervised deep convolutional neural network to accurately reconstruct the subsurface velocities. Deep learning based data-driven technique depends mostly on bulk data training. In this work, we train our deep convolutional neural network (DCN) (UNet and InversionNet) on the raw seismic data and their corresponding velocity models during the training phase to learn the non-linear mapping between the seismic data and velocity models. The trained network is then used to estimate the velocity models from new input seismic data during the prediction phase. The prediction phase is performed on a resource-constrained edge device such as Raspberry Pi. Raspberry Pi provides real-time and on-device computational power to execute the inference process. In addition, we demonstrate robustness of our models to perform inversion in the presence on noise by performing both noise-aware and no-noise training and feeding the resulting trained models with noise at different signal-to-noise (SNR) ratio values. We make great efforts to achieve very feasible inference times on the Raspberry Pi for both models. Specifically, the inference times per prediction for UNet and InversionNet models on Raspberry Pi were 22 and 4 s respectively whilst inference times for both models on the GPU were 2 and 18 s which are very comparable. Finally, we have designed a user-friendly interactive graphical user interface (GUI) to automate the model execution and inversion process on the Raspberry Pi.

Manu, Daniel (ORCID:0000000154982677)↗

DOE OSTI2024

Inferring the Redshift of More than 150 GRBs with a Machine-learning Ensemble Model

Gamma-ray bursts (GRBs), due to their high luminosities, are detected up to a redshift of 10, and thus have the potential to be vital cosmological probes of early processes in the Universe. Fulfilling this potential requires a large sample of GRBs with known redshifts, but due to observational limitations, only 11% have known redshifts (z). There have been numerous attempts to estimate redshifts via correlation studies, most of which have led to inaccurate predictions. To overcome this, we estimated GRB redshift via an ensemble-supervised machine-learning (ML) model that uses X-ray afterglows of long-duration GRBs observed by the Neil Gehrels Swift Observatory. The estimated redshifts are strongly correlated (a Pearson coefficient of 0.93) and have an rms error, namely, the square root of the average squared error $\langle$Δz 2 $\rangle$, of 0.46 with the observed redshifts showing the reliability of this method. The addition of GRB afterglow parameters improves the predictions considerably by 63% compared to previous results in peer-reviewed literature. Finally, we use our ML model to infer the redshifts of 154 GRBs, which increase the known redshifts of long GRBs with plateaus by 94%, a significant milestone for enhancing GRB population studies that require large samples with redshift.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1993

Tree Classification Software

This paper introduces the IND Tree Package to prospective users. IND does supervised learning using classification trees. This learning task is a basic tool used in the development of diagnosis, monitoring and expert systems. The IND Tree Package was developed as part of a NASA project to semi-automate the development of data analysis and modelling algorithms using artificial intelligence techniques. The IND Tree Package integrates features from CART and C4 with newer Bayesian and minimum encoding methods for growing classification trees and graphs. The IND Tree Package also provides an experimental control suite on top. The newer features give improved probability estimates often required in diagnostic and screening tasks. The package comes with a manual, Unix 'man' entries, and a guide to tree methods and research. The IND Tree Package is implemented in C under Unix and was beta-tested at university and commercial research laboratories in the United States.

Buntine, Wray↗

DOE OSTI2021

Uranium Oxide Synthetic Pathway Discernment through Unsupervised Morphological Analysis

We present a novel unsupervised machine learning method for quantitative representation of scanning electron micrographs and its applications and performance for nuclear forensic analysis of uranium ore concentrates. The method uses a vector quantizing variational autoencoder followed by a histogram operation to encode a micrograph into a single dimensional representation, called the latent vector. The method requires no extant labeling of the data and can be applied over large datasets of micrographs with minimal human interaction. The representations generated are broadly descriptive of each micrograph and the microstructure of the material imaged. In the case of uranium ore concentrate analysis, the representations were amenable to processing reagent and ore concentrate species classification with accuracy of 81:8%, which is competitive with state-of-the-art supervised networks. The representations were also used to classify previously unseen processing routes, were able to classify imaging parameters such as magnification (to 76:0% accuracy), were able to classify fine grained process parameters such as calcining temperature (to 74:4% accuracy), and their informatic properties indicate that they are generally descriptive of the image represented. This method can be applied across microstructure analysis fields to perform quantitative analysis without the need for labor intensive and possibly biased human analysis.

Scanning Electron Microscopy, Vector Quantizing Va↗

NASA NTRSDate not supplied

Data Augmentation for Intelligent Contingency Management Using Generative Adversarial Neural Networks

Artificial intelligence (AI)-based techniques for intelligent contingency management (ICM) require that intelligent agents learn various aspects of system dynamics to create and execute contingencies. For high assurance contingency management, agents achieve the most compelling results through supervised or semi-supervised machine learning, for which agents require large datasets to learn the dynamics of the system. Unfortunately, data collection in aerospace applications can be costly, due to both time and resources. Presented work describes a framework for data augmentation of ICM databases containing training data for machine learning models. This framework populates the database with the outputs of generative adversarial network (GAN) models that were trained on flight data. Methods for evaluating the suitability of these models based on the equations of motion, as well as other physical constraints, are discussed. The paper demonstrates the utility of this database for training intelligent agents on the NASA T2 generic transport aircraft model and experimental vertical takeoff and landing (VTOL) simulation model.

Generative Machine Learning↗

NASA NTRSDate not supplied

Data Augmentation for Intelligent Contingency Management Using Generative Adversarial Neural Networks

Generative Machine Learning↗

DOE OSTI2026

Improving neutrino oscillation measurements through event classification

Precise neutrino energy reconstruction is essential for next-generation long-baseline oscillation experiments, yet current methods remain limited by large uncertainties in neutrino-nucleus interaction modeling. Even so, it is well established that different interaction channels produce systematically varying amounts of missing energy and therefore yield different reconstruction performance–information that standard calorimetric approaches do not exploit. We introduce a strategy that incorporates this structure by classifying events according to their underlying interaction type prior to energy reconstruction. Using supervised machine-learning techniques trained on labeled generator events, we leverage intrinsic kinematic differences among quasielastic scattering, meson-exchange current, resonance production, and deep-inelastic scattering processes. A cross-generator testing framework demonstrates that this classification approach is robust to microphysics mismodeling and, when applied to a simulated DUNE 𝜈 𝜇 disappearance analysis, yields improved accuracy and sensitivity at the 10%–20% level. These results highlight a practical path toward reducing reconstruction-driven systematics in future oscillation measurements.

Ellis, Sebastian A. R. [King's College, London (Un↗

NASA NTRS1982

Near surface observations

Learning objectives include: (1) developing an understanding of the implications of the term "near surface observations"; (2) associating the appearance of large ground features as seen in satellite imagery with their appearance as seen from the ground; (3) grasping criteria and procedures for selecting training sites on the ground for use in supervised classification; (4) running through an example of training site selection; (5) becoming familiar with several methods of accuracy assessment; (6) becoming aware of the approach and value of making supporting measurements of the spectral and physical properties of materials on the ground and from aircraft; (7) taking note of the different types of instruments used in making specific ground measurements; and (8) appreciating the rationale underlying laboratory and field studies on or near the Earth's surface for the purpose of developing new sensor systems.

Source record↗

NASA NTRS2020

Efficient Active Learning for New Domains

The promise of active learning is to reduce the number of labeled examples required by supervised machine learning algorithms. The largest potential benefits lie in entirely new domains, for which no labeled examples yet exist. Yet to date, most active learning studies are retroactive and demonstrate the benefits that could have been gained if active learning had been used. What are the barriers to true adoption and utilization of active learning? We focus on two: (1) the cold start or class discovery problem, in which active learning methods may struggle to make progress with zero labeled examples, and (2) the cost of having the classifier in the loop to select the next example to be labeled. We assess different active learning approaches in the context of these two barriers and conclude with recommendations for how to employ active learning in new domains. As an example, we report on the use of active learning on a large, novel data set of Mars surface images.

Lu, Steven↗