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NASA NTRSDate not supplied

Automated classification of scientific publications linked to GES DISC datasets

The data collections archived and distributedby the GES DISC NASA data center arewidely utilized for various Earth Science studies.As these collections are created, many researchworks are published regarding the collections, algorithms,validations and applications. SinceGES DISC collects these publications and providestheir citations for the users, it is helpful tocategorize them based on how they relate to the datasetsthey are associated with. Specifically,whether the publication that is linked to GES DISCdataset is using it for applicational research,or if it describes the algorithm for dataset creation,or the validation of the dataset, or providesthe general overview of the data collection. Currently,this process requires simple manuallabelling, and as such, may be possible to solve viaautomation. To approach this problem, wedeveloped machine learning classifiers to predictthe category a publication belongs to. We usedmanually labeled publications as training data forsupervised machine learning algorithms:Random Forest and Naive Bayes. We achieved classificationaccuracy that is substantially betterthan the baseline accuracy, thus greatly improvingthe efficiency of the publication internalanalysis.

Rohan Dayal↗

NASA NTRS2018

Supervised Learning Applied to Air Traffic Trajectory Classification

Given the recent increase of interest in introducing new vehicle types and missions into the National Airspace System, a transition towards a more autonomous air traffic control system is required in order to enable and handle increased density and complexity. This paper presents an exploratory effort of the needed autonomous capabilities by exploring supervised learning techniques in the context of aircraft trajectories. In particular, it focuses on the application of machine learning algorithms and neural network models to a runway recognition trajectory-classification study. It investigates the applicability and effectiveness of various classifiers using datasets containing trajectory records for a month of air traffic. A feature importance and sensitivity analysis are conducted to challenge the chosen time-based datasets and the ten selected features. The study demonstrates that classification accuracy levels of 90% and above can be reached in less than 40 seconds of training for most machine learning classifiers when one track data point, described by the ten selected features at a particular time step, per trajectory is used as input. It also shows that neural network models can achieve similar accuracy levels but at higher training time costs.

Bosson, Christabelle S.↗

NASA NTRS2018

Supervised Learning Applied to Air Traffic Trajectory Classification

Bosson, Christabelle↗

DOE OSTI2025

Unraveling Adsorbate-Induced Structural Evolution of Iron Carbide Nanoparticles

Iron carbide (Fe x C y ) nanoparticles (NPs) are promising candidates for replacing platinum group metals in industrial applications, such as high-temperature Fischer–Tropsch synthesis. However, due to their amorphous nature, characterization of the active sites has been challenging experimentally and computationally. Here, using a combined density functional theory (DFT), neural network interatomic potential-assisted global optimization, and ensemble learning study, we evaluate dynamic surface changes associated with syngas (H and CO) interactions. For this purpose, we have developed a general procedure that we use to model an experimentally relevant 270-atom Fe 182 C 88 NP using the neural network-assisted stochastic surface walk global optimization algorithm (SSW-NN). Once generated, the Fe 182 C 88 NP active sites and particle morphology are thoroughly characterized before the effects of syngas adsorbate interactions are explored by using DFT and molecular dynamics simulations. Lastly, we explore correlations between geometric and electronic features of the active sites and the adsorption of H (H ads ), using a regularized random forest machine learning algorithm. In doing so, we identified the Fe–C coordination number and p orbital occupancy as the most important descriptors affecting H ads . Furthermore, using a combined ML and quantum chemistry approach, our work demonstrates a general and efficient procedure for generating and probing complex surface phenomena on binary nanoparticles.

Adsorption↗

DOE OSTI2022

Physics-Informed and Data-Driven Prediction of Residual Stress in Three-Dimensional Machining

Efficient and reliable prediction of machining-induced residual stress (RS) is a key requirement for truly integrated computational materials engineering (ICME). Currently available process modeling approaches, including empirical, analytical, and numerical methodologies lack predictive power and require substantial calibration and validation data. Moreover, most model-based approaches consider only two-dimensional (2D) (i.e., orthogonal), cutting processes. Meanwhile, industrial processes such as milling, turning, and drilling are inherently three-dimensional (3D). The present work attempts to bridge the gap between 2D and 3D through careful consideration of the process physics, including geometric, kinematic, and size-effect constraints to realize robust prediction of how RS develops in 3D machining. Using a novel in-situ experimental technique and digital image correlation (DIC) to determine equivalent Hertzian contact widths, contact pressures, and friction coefficients, the proposed methodology leverages a discretized conversion algorithm that includes multi-pass shakedown effects. This paper presents a semi-analytical model to predict machining-induced RS in 3D turning operations, which are used representatively for 3D processes more generally. Rather than follow a ‘brute force’ 3D FEM approach or conduct countless experiments to train a purely data-driven machine learning algorithm, the proposed approach builds on previous 2D modeling work. Through careful consideration of the process physics, including complex geometry/kinematic considerations of 3D turning, the authors demonstrated an experimentally calibrated approach, as well as validation based on published RS data. Model predictions and previously published measurement data of RS depth profiles for turning of Inconel 718 were compared for a range of process parameters. Correlation between the proposed 3D model and validation data was found to be within the margin of experimental error for most conditions. The proposed model appears to capture the overall behavior of 3D RS depth profiles with acceptable accuracy, particularly the key metrics of near-surface stress, peak stress magnitude and location, as well as overall stress profile depth. This report presents a physics-informed, data-driven approach for efficient calibration of a 2D model for machining-induced RS through DIC analysis of in-situ characterized subsurface displacement fields.

42 ENGINEERING↗

DOE OSTI2026

End-To-End Decentralized Transmission Line Protection in IBR-Dominated Weak Grids Using Interpretable Data-Driven Methods

Traditional transmission line protection relies on predictable synchronous-based fault signatures, which frequently fail under the non-standard, current-limited fault characteristics of Inverter-Based Resources (IBRs). This study investigates how to achieve secure, communication-free fault isolation in IBR-dominated weak grids without relying on opaque, computationally heavy "black-box" machine learning algorithms. To address this, we propose a novel, standalone, and inherently interpretable data-driven protection framework. Unlike centralized methods requiring multi-terminal communication, this decentralized approach relies solely on local measurements using a hierarchical linear-kernel Support Vector Machine (SVM). The methodology decomposes the protection task into four sequential stages that mimic traditional protection elements: fault detection and fault direction identification, fault type classification, zone classification, and location estimation. This multi-stage architecture allows for specialized feature engineering at each stage, combining high computational efficiency with logic traceability. The framework's end-to-end performance was validated via C-code and PSCAD/EMTDC co-simulation, utilizing a real-world utility network and an OEM black-box IBR model. The proposed relay achieves 97.2% overall accuracy and provides a reliable trip decision within a 2.5-cycle window. The results confirm 100% accuracy in fundamental fault detection, reliable zone selectivity across low to moderate fault resistances, and robust security against non-fault transients, proving its immediate viability for integration into commercial numerical relays.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Enforcing Self-Consistent Kinematic Constraints in Neutrino Energy Estimators

Machine learning algorithms have long been utilized across many experimental collaborations within the neutrino physics community in applications to ascertain the singular kinematic quantity of initial neutrino energy for use in neutrino oscillation analyses. However, most of these algorithms do not incorporate a coherent physical picture of initial neutrino kinematics, opting to introduce loss functions involving knowledge of only |pν |. Here, we argue for the introduction of composite loss functions utilizing the full kinematic description of the neutrino, pν ≡ (E, px, py , pz ), compiling all relevant energy and angle information consistently. The use of such a fully defined variable can be seen as a usage of Physics Informed Machine Learning.

Richi, R. R.↗

DOE OSTI2021

Quantum Machine-Learning for Eigenstate Filtration in Two-Dimensional Materials

Quantum machine-learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure calculations of molecular systems and spin models in magnetic systems. However, the discussion in all these recipes focuses specifically on targeting the ground state. Herein we demonstrate a quantum algorithm that can filter any energy eigenstate of the system based on either symmetry properties or a predefined choice of the user. The workhorse of our technique is a shallow neural network encoding the desired state of the system with the amplitude computed by sampling the Gibbs–Boltzmann distribution using a quantum circuit and the phase information obtained classically from the nonlinear activation of a separate set of neurons. We show that the resource requirements of our algorithm are strictly quadratic. To demonstrate its efficacy, we use state filtration in monolayer transition metal dichalcogenides which are hitherto unexplored in any flavor of quantum simulations. We implement our algorithm not only on quantum simulators but also on actual IBM-Q quantum devices and show good agreement with the results procured from conventional electronic structure calculations. We thus expect our protocol to provide a new alternative in exploring the band structures of exquisite materials to usual electronic structure methods or machine-learning techniques that are implementable solely on a classical computer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Dimensionally Aligned Signal Projection Algorithms Library

Dimensionally aligned signal projection (DASP) algorithms are used to analyze fast Fourier transforms (FFTs) and generate visualizations that help focus on the harmonics for specific signals. At a high level, these algorithms extract the FFT segments around each harmonic frequency center, and then align them in equally sized arrays ordered by increasing distance from the base frequency. This allows for a focused view of the harmonic frequencies, which, among other use cases, can enable machine learning algorithms to more easily identify salient patterns. This work seeks to provide an effective open-source implementation of the DASP algorithms proposed by Vann et al. (2018) as well as functionality to help explore and test how these algorithms work with an interactive dashboard and signal-generation tool. The DASP library is implemented in Python and contains four types of algorithms for implementing these feature engineering techniques: fixed harmonically aligned signal projection (HASP), decimating HASP, interpolating HASP, and frequency aligned signal projection (FASP). Each algorithm returns a numerical array, which can be visualized as an image. The HASP algorithms are variations of the algorithms originally presented by Vann et al. (2018). For consistency, FASP, which is the terminology used for the short-time Fourier transform (STFT), has been implemented as part of the library to provide a similar interface to the STFT of the raw signal. Additionally, the library contains an algorithm to generate artificial signals with basic customizations such as the base frequency, sample rate, duration, number of harmonics, noise, and number of signals. Finally, the library provides multiple interactive visualizations, each of which is implemented using IPyWidgets and works in a Jupyter environment. A dashboard-style visualization is provided, which contains some common signal-processing visual components (signal, FFT, spectogram) updating in unison with the HASP functions (see Figure 1 below). Separate from the dashboard, an independent visualization is provided for each of the DASP algorithms as well as for the artifical signal generator. These visualizations are included in the library to aid in developing an intuitive understanding how the algorithms are affected by different input signals and parameter selections.

harmonics↗

DOE OSTI2023

Indoor Occupancy Sensing via Networked Nodes (2012–2022): A Review

In the past decade, different sensing mechanisms and algorithms have been developed to detect or estimate indoor occupancy. One of the most recent advancements is using networked sensor nodes to create a more comprehensive occupancy detection system where multiple sensors can identify human presence within more expansive areas while delivering enhanced accuracy compared to a system that relies on stand-alone sensor nodes. The present work reviews the studies from 2012 to 2022 that use networked sensor nodes to detect indoor occupancy, focusing on PIR-based sensors. Methods are compared based on pivotal ADPs that play a significant role in selecting an occupancy detection system for applications such as Health and Safety or occupant comfort. These parameters include accuracy, information requirement, maximum sensor failure and minimum observation rate, and feasible detection area. We briefly describe the overview of occupancy detection criteria used by each study and introduce a metric called “sensor node deployment density” through our analysis. This metric captures the strength of network-level data filtering and fusion algorithms found in the literature. It is hinged on the fact that a robust occupancy estimation algorithm requires a minimal number of nodes to estimate occupancy. This review only focuses on the occupancy estimation models for networked sensor nodes. It thus provides a standardized insight into networked nodes’ occupancy sensing pipelines, which employ data fusion strategies, network-level machine learning algorithms, and occupancy estimation algorithms. This review thus helps determine the suitability of the reviewed methods to a standard set of application areas by analyzing their gaps.

Emad-Ud-Din, Muhammad (ORCID:0000000279515538)↗

DOE OSTI2024

Physics-informed hybrid modeling methodology for building infiltration

Infiltration is responsible for one-third to one-half of the space conditioning load of a typical residential home, but the modeling of infiltration for building energy modeling is either represented by over-simplified equations or dependent on over-generalized rules of thumb. Here, this paper develops a physics-informed data-driven methodology for modeling infiltration using building-specific empirical measurements. The developed hybrid methodology combines machine-learning categorization and grey-box sub-modeling to improve the accuracy and generalization of commonly used grey-box infiltration models. The developed methodology excels at predicting infiltration by improving the ability to predict infiltration under unseen environmental conditions using machine learning algorithms with physical significance. In a case study conducted using the iUnit, a modular studio apartment experimental test facility located at the National Renewable Energy Laboratory, we use empirical airtightness measurements to fit an infiltration model using the developed methodology. We find that the developed methodology can improve the overall model accuracy by 43% and improve extrapolation by 38%, compared with the model based on the common grey-box infiltration equation. We also notice that the selected features can improve the performance of a pure machine-learning model, indicating that our methodology identifies the features with the most physical significance to infiltration modeling.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Machine Learning–Augmented Laser-Induced Breakdown Spectroscopy for Spectral Discrimination of Iron Oxalates

Enhanced characterization and phase identification of post-PUREX Pu Oxalates (PuOXA) are pivotal for nonproliferation and pre-detonation nuclear forensics. Despite significant advances in the characterization of PuO 2 samples, little is known about the impact of both the chemical structure and oxidation states of PuOXA (i.e., Pu(III) and Pu(IV)) have on optical emission signatures. Here, we demonstrate the analytical capabilities of laser-induced breakdown spectroscopy (LIBS) applied to Fe(II) and Fe(III) oxalate samples as surrogates for PuOXA, highlighting the discriminating features in the LIBS emission spectra arising from differences in the oxidation states within mixed FeOXA samples. We report the enhancement of spectral feature selection using Principal Component Analysis (PCA), which enables the analytical superiority of machine learning algorithms such as Linear Discriminant Analysis (LDA), Quadratic Discriminant Analysis (QDA), Partial Least Squares Regression (PLSR), Support Vector Regression (SVR), and Random Forest Regression (RFR) over conventional univariate techniques for phase discrimination and chemometric analysis. Cluster analysis revealed how both matrix effects and laser ablation influence cluster separability by introducing spectral artifacts that misdirect the maximization of variance. PCA-selected emission lines were used in the regression models, demonstrating that both univariate and multivariate linear regression models (i.e., PLSR and SVR) can achieve acceptable performance, with machine learning models outperforming conventional calibration regressions. Furthermore, the application of non-linearly activated PCA-selected emission lines illustrates how simplifying the data while retaining captured variance enables the use of less complex and more computationally efficient models. Furthermore, this is particularly evident in the underperformance of RFR, which suffers from increased computational costs and overfitting owing to its high complexity.

Oxalates↗

DOE OSTI2022

Hybrid Entanglement Distribution between Remote Microwave Quantum Computers Empowered by Machine Learning

Superconducting microwave circuits with Josephson junctions, the major platform for quantum computing, can only reach the full capability when connected. This requires an efficient protocol to distribute microwave entanglement. While quantum computers typically use discrete-variable (DV) methods for information encoding, the entire continuous-variable (CV) degree of freedom in electromagnetic fields must be utilized to achieve the highest entanglement distribution rate. Here, we propose a hybrid protocol to resolve the incompatibility between DV microwave quantum computers and CV quantum communications. CV microwave entanglement is distributed using optical swapping of optical-microwave entanglement pairs. To interface with DV microwave quantum computers, we further design a hybrid circuit to simultaneously convert and distill high-quality DV entanglement from noisy CV entanglement. The hybrid circuit is trained with machine-learning algorithms, ensuring high entanglement fidelity and generation rate. In conclusion, our work not only provides a practical method to realize efficient quantum links for superconducting microwave quantum computers, but also opens avenues to bridge the gap between DV and CV quantum systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Optimal sensor placement for reconstructing wind pressure field around buildings using compressed sensing

Deciding how to optimally deploy sensors in a large, complex, and spatially extended structure is critical to ensure that the surface pressure field is accurately captured for subsequent analysis and design. In some cases, reconstruction of missing data is required in downstream tasks such as the development of digital twins. Here, this paper presents a data-driven sparse sensor selection algorithm, aiming to provide the most information contents for reconstructing aerodynamic characteristics of wind pressures over tall building structures parsimoniously. The algorithm first fits a set of basis functions to the training data, then applies a computationally efficient QR algorithm that ranks existing pressure sensors in order of importance based on the state reconstruction to this tailored basis. The findings of this study show that the proposed algorithm successfully re- constructs the aerodynamic characteristics of tall buildings from sparse measurement locations, generating stable and optimal solutions across a range of conditions. As a result, this study serves as a promising first step toward leveraging the success of data-driven and machine learning algorithms to supplement traditional genetic algorithms currently used in wind engineering.

42 ENGINEERING↗

NASA NTRSDate not supplied

Quantum-Compatible Variational Segmentation for Image-to-Image Wildfire Detection Using Satellite Data

Wildfire occurrences have been increasing for the past decade, leaving devastating traces across the world. In the recent efforts, remote sensing and airborne missions have been utilized to better understand and manage wildfires. This has resulted in an exponential increase in volume of remote sensing data, which has pushed the need for intelligent automation of data extraction for wildfire studies. Machine learning offers accurate automation in detecting such natural anomalies and enable decision-makers to take actions in a timely manner. Recent advances in machine learning algorithms, namely probabilistic generative methods, allow researchers and decisionmakers to step beyond detection and study “what-if” scenarios for wildfire occurrences. Additionally, they offer better imitations to the stochastic behavior of nature, and wildfire events. However, optimizing the performance of these probabilistic generative models is a computationally expensive process, specially using digital computers. On the other hand, quantum computers have recently shown a promise to reduce computationally costly training of such models and provide performance improvements. There is a body of research investigating the potential for improved machine learning methods in which key operations are performed on a quantum computer. In this study, we propose a probabilistic image-toimage segmentation approach combining a very well-known segmentation method, U-NET, with a Conditional Variational Auto-Encoder (CVAE) to not only detect wildfires but also describe the stochasticity of the phenomenon and be capable of running “what-if” scenarios. Our proposed model is compatible with training on quantum computers, which results in a quantum-assisted image-to-image segmentation approach and can be used to benchmark the potential benefit of quantum computing over the classical one.

quantum↗

DOE OSTI2025

Selection Algorithm for electron neutrino charged current interactions in SBND

The Short Baseline Neutrino (SBN) program at Fermilab is a joint proposal by three experimental collaborations primarily for the investigation of the cause behind the low-energy electron-like event excess observed by the MiniBoone experiment. This dissertation focuses on the near detector of the project, named the Short Baseline Near Detector (SBND), a Liquid Argon Time Projection Chamber apparatus which will conduct searches for sterile neutrinos in the mass range of 1 ${eV}^2/{c}^4$, as well as provide cross-section measurements for neutrino interactions in argon and perform other beyond the standard model studies.\\ \indent As is the case for all detectors in the program, the SBND will use the Booster Neutrino Beam as its source, which will provide it with both muon and electron neutrinos. Given that the ability to discern between the neutrino flavors will be crucial to the fulfillment of the detector's physics goals, the objective of this work is to provide the collaboration with a tool capable of doing so. As such, we here present the development process for an inclusive selection algorithm for the identification of electron neutrino charged current (CC) events regardless of their interaction channel. This is done through a combination of traditional techniques, such as the implementation of cuts on the reconstructed interaction properties, with the use of the Convolutional Visual Network, a machine learning algorithm capable of classifying particle interactions through the analysis of the topology of their final states. With this approach, we have developed a selection process that is capable of identifying $\nu_e$ CC interactions across a wide range of topologies with 34.4\% efficiency, as well as a purity of 91.2\%, making it especially promising for use in cross section studies.

Freire, Hector Moya [ABC Federal U.] (ORCID:000900↗

DOE OSTI2022

Development of a nearly autonomous management and control system for advanced reactors

This presentation discusses the development of a Nearly Autonomous Management and Control (NAMAC) system for advanced reactors. This presentation first introduces the NAMAC-enabled plant control. Next, this presentation introduces major technologies of implementing NAMAC, including operational workflow, digital twin, and advanced machine learning algorithms. To demonstrate the capability of the NAMAC system, NAMAC is connected with a simulator of the Experimental Breeder Reactor II, where NAMAC is activated to provide recommendations during a single loss of flow accident.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Unsupervised discovery of extreme weather events using universal representations of emergent organization

Spontaneous self-organization is ubiquitous in systems far from thermodynamic equilibrium. While organized structures that emerge dominate transport properties, universal representations that identify and describe these key objects remain elusive. Here, we introduce a theoretically grounded framework for describing emergent organization that, via data-driven algorithms, is constructive in practice. Its building blocks are spacetime lightcones that embody how information propagates across a system through local interactions. We show that predictive equivalence classes of lightcones—local causal states—capture organized behaviors in complex spatiotemporal systems. Employing an unsupervised physics-informed machine learning algorithm and a high-performance computing implementation, we demonstrate automatically discovering organized structures in two real-world domain science problems. We show that local causal states identify vortices and track their power-law decay behavior in two-dimensional fluid turbulence. We then show how to detect and track familiar extreme weather events—hurricanes and atmospheric rivers—and discover other novel structures associated with precipitation extremes in high-resolution climate data at the grid-cell level.

Rupe, Adam [Pacific Northwest National Laboratory ↗