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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Building Datasets and Training Methods for ML Based Magnet Quench Detection

Detecting quenches in superconducting (SC) magnets during training is a challenging process that involves capturing physical events that occur at different frequencies and appear as various signal features. These events may be correlated across instrumentation type, thermal cycle, and ramp. These events together build a more complete picture of continuous processes occurring in the magnet, and may allow us to flag potential precursors for quench detection. We present our work on building an automatic machine learning (ML) based quench detection system. We build upon our existing work on unsupervised auto-encoders for acoustic sensors and quench antenna (QA) by first establishing a supervised ML training pipeline. We show the results of an event tagging, analysis, and simulation framework on our QA and acoustic data which are used concurrently to build a training dataset for a supervised implementation. We then show how this supervised training can be used as a prior in a semi-supervised framework and compare this to the unsupervised neural network auto-encoder performance.This allows us to have a more concrete understanding of the performance of our algorithms relative to physical events occurring in the magnet, and also provides a baseline software tool to generically evaluate our quench prediction autoencoders under completely unsupervised, supervised, and semi-supervised training conditions.

Khan, Maira [Fermilab]↗
DOE OSTI2025

Intelligent experiments through real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and future EIC detectors

This R&D project, initiated by the DOE Nuclear Physics AI-Machine Learning initiative in 2022, leverages AI to address data processing challenges in high-energy nuclear experiments (RHIC, LHC, and future EIC). Our focus is on developing a demonstrator for real-time processing of high-rate data streams from sPHENIX experiment tracking detectors. The limitations of a 15 kHz maximum trigger rate imposed by the calorimeters can be negated by intelligent use of streaming technology in the tracking system. The approach efficiently identifies low momentum rare heavy flavor events in high-rate p+p collisions (3MHz), using Graph Neural Network (GNN) and High Level Synthesis for Machine Learning (hls4ml). Success at sPHENIX promises immediate benefits, minimizing resources and accelerating the heavy-flavor measurements. The approach is transferable to other fields. For the EIC, we develop a DIS-electron tagger using Artificial Intelligence - Machine Learning (AI-ML) algorithms for real-time identification, showcasing the transformative potential of AI and FPGA technologies in high-energy nuclear and particle experiments real-time data processing pipelines.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Algorithm to extract direction in 2D discrete distributions and a continuous Frobenius norm

In this study, we present a novel algorithm for determining directionality in 2D distributions of discrete data. We compare a reference dataset with a known direction to a measured dataset with an unknown direction by the Frobenius norm of the difference (FND) to find the unknown direction. To generalize this concept, we develop a continuous Frobenius norm of the difference (CFND) as a continuous analog of the FND and derive its analytical expression. By relating fitted and normalized 2D Gaussian distributions, we show that the CFND approximates the FND, and we validate this relationship with computer simulations. We find that a first-order approximation of the CFND between two similar Gaussian distributions takes the form of an absolute sine function, offering a simple analytical form with potential for specialized applications in segmented inverse beta decay (IBD) neutrino detectors, astronomy, machine learning, and more. Although this method may easily extend to 3D scalar fields, our focus here is on 2D real-valued fields as it directly applies to directionality. Our methodology consists of modeling a 2D Gaussian distribution, binning the data into a histogram, and encoding it as a square matrix. Rotating this matrix around its geometric center and comparing it to a measured dataset using the FND gives us rotational data that we fit with an absolute sine function. The location of the minimum of this fit is the angle closest to the true angle of the direction in the measured dataset. We present the derivation and discuss initial applications of the CFND in our novel algorithm, demonstrating its success in approximating directionality in 2D distributions.

Data Analysis, Statistics and Probability (physics↗
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↗
DOE OSTI2024

A graph embedding‐based approach for automatic cyber‐physical power system risk assessment to prevent and mitigate threats at scale

Abstract Power systems are facing an increasing number of cyber incidents, potentially leading to damaging consequences to both physical and cyber aspects. However, the development of analytical methods for the study of large‐scale power infrastructures as cyber‐physical systems is still in its early stages. Drawing inspiration from machine‐learning techniques, the authors introduce a method inspired by the principles of graph embedding that is tailored for quantitative risk assessment and the exploration of possible mitigation strategies of large‐scale cyber‐physical power systems. The primary advantage of the graph embedding approach lies in its ability to generate numerous random walks on a graph, simulating potential access paths. Meanwhile, it enables capturing high‐dimensional structures in low‐dimensional spaces, facilitating advanced machine‐learning applications, and ensuring scalability and adaptability for comprehensive network analysis. By employing this graph embedding‐based approach, the authors present a structured and methodical framework for risk assessment in cyber‐physical systems. The proposed graph embedding‐based risk analysis framework aims to provide a more insightful perspective on cyber‐physical risk assessment and situation awareness for power systems. To validate and demonstrate its applicability, the method has been tested on two cyber‐physical power system models: the Western System Coordinating Council (WSCC) 9‐Bus System and the Illinois 200‐Bus System , thereby showing its advantages in enhancing the accuracy of risk analysis and comprehensiveness of situational awareness.

Sun, Shining↗
DOE OSTI2025

Predictive links between microbial communities and biological oxygen utilization in the Arctic Ocean

Microbial metabolism influences rates of net community production (NCP), exerting a direct biological control on marine oxygen and carbon fluxes. In the Arctic, it is increasingly important to understand and quantify this process, as ecological and oceanographic conditions shift due to changing climate. Here, we describe potential ecological links between pelagic microbial diversity and an NCP precursor, biological oxygen utilization, using machine learning and paired observations of community structure and metabolic activity from a seasonally and spatially variable transect of the Arctic Ocean (2019–2020 MOSAiC Expedition). Community structure was determined using 16S (prokaryotic) and 18S (eukaryotic) rRNA gene amplicon sequencing, and metabolic activity was derived from ΔO 2 /Ar. Using self-organizing maps, we identified clear successional patterns in observed microbial community structure that were seasonally driven in the upper ocean and vertically stratified with depth. Metabolic activity was also stratified, with a primarily net heterotrophic water column (median −1.5% biological oxygen saturation), excepting periodic oxygen supersaturation (maximum: 13.6%) within the mixed layer. Using DNA sequences as predictor variables, we then constructed a random forest regression model that reliably reconstructed biological oxygen concentrations (root mean squared error = 4.14 μmol kg −1 ). Top predictors from this model were from heterotrophic (bacteria) or potentially mixotrophic (dinoflagellate) taxa. These analyses highlight biologically driven diagnostic tools that can be used to expand biogeochemical datasets and improve the microbial perspectives and metabolisms represented in ecological models of net productivity and carbon flux in a changing Arctic Ocean.

Chamberlain, Emelia J. [Univ. of San Diego, San Di↗
DOE OSTI2024

Advancing Cyber-Attack Detection in Power Systems: A Comparative Study of Machine Learning and Graph Neural Network Approaches

This paper explores the detection and localization of cyber-attacks on power systems, focusing on comparing conventional machine learning (ML) and deep learning methods, and graph neural network (GNN)-based techniques. We assess the detection accuracy of these approaches and their potential to pinpoint the locations of specific buses under attack. Given the demonstrated success of GNNs in other time series anomaly detection applications, we aim to evaluate their performance within the context of power systems cyber-attack. Utilizing the IEEE 68-bus system, we simulated four types of attacks to test the selected approaches. Our results indicate that GNN-based methods outperform conventional machine learning and deep learning models in detection. Additionally, GNNs show promise in accurately localizing attacks for simple scenarios, although they still face challenges in more complex cases.

artificial intelligence↗
DOE OSTI2026

Deep Learning Methods for Symbolic Calculations in HEP

This project develops machine learning methods to accelerate symbolic calculations in high-energy physics. Using sequence-to-sequence transformer models, we construct frameworks to predict squared amplitudes and related quantities for Standard Model processes, including quantum electrodynamics, quantum chromodynamics, and electroweak interactions. The results demonstrate that deep learning can successfully learn complex symbolic relationships and provide a scalable approach to symbolic computation with potential applications in precision calculations and collider phenomenology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Construction of generalized quasilinear diffusion coefficient using neural networks with physical restrictions

The quasilinear diffusion coefficient (D QL ) derived from our machine learning framework shows comparable trends with the ground truth D QL obtained from GENRAY-CQL3D simulations. Additionally, for the strong absorption cases, the radial current drive profiles generated using the D QL from our model exhibit consistent behavior with those obtained from the original simulation. These findings indicate the potential of our surrogate modeling approach with physical restrictions to replicate key wave–plasma interaction characteristics while reducing computational costs. Traditionally, calculating D QL for wave–particle interactions relies on computationally intensive wave simulations coupled with Fokker–Planck solvers. To address this challenge, we developed a machine learning-based surrogate model with physical restrictions derived from cold plasma theory and bounce-averaged damping effects. First, we establish the propagation domain of Lower Hybrid Waves in the (N∥, ρ) space by identifying the accessibility limit and determining the upper and lower bounds of N∥ using the Potential Power Deposition (PPD) method. Subsequently, leveraging a database constructed using Latin hypercube sampling alongside the underlying physical restrictions (e.g. PPD), machine learning methods including U-Net and Recurrent Neural Networks are employed to design a physics-restricted machine learning framework capable of reconstructing D QL .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Natural Language Processing to Inform Agent-Based Modeling: With Application to Modeling Adoption of Medium-Duty Electric Vehicles

Agent-based socio-technical modeling of medium- and heavy-duty (MDHD) electric vehicle (EV) adoption has the potential to provide analysis, prediction, and gui. This paper describes new applications of text analysis developed through machine learning (ML) to build and understand relevant topics and their saliency in the published discourse on adoption of MDHD EVs. This work contributes to the state of the art in topic mining models by defining a new metric of topic ranking (START) that quantifies the importance of predefined topics within the corpus using weighted results for predefined topics from two topic modeling approaches: Latent Dirichlet Allocation (LDA) and BERTopic. The START metric is then demonstrated in practice to model how academia and industry view the EV adoption process based on the respective texts published by these groups. Results show that academic literature places more emphasis on categories of interests such as norms/attitudes and adopter knowledge, while trade journals tend to emphasize long-term cost more than academia. The two bodies of literature agree on the importance of policy and incentives in MDHD EV adoption. Together these results illustrate the potential to use ML-based text analysis to populate the characteristics of agent-based socio-technical models.

Electric vehicle adoption, fleet electrification, ↗
DOE OSTI2026

Graph theory inspired anomaly detection at the LHC

Designing model-independent anomaly detection algorithms for analyzing LHC data remains a central challenge in the search for new physics, due to the high dimensionality of collider events. In this work, we develop a graph autoencoder as an unsupervised, model-agnostic tool for anomaly detection, using the LHC Olympics dataset as a benchmark. By representing jet constituents as a graph, we introduce a method to systematically control the information available to the model through sparse graph constructions that serve as physically motivated inductive biases. Specifically, (1) we construct graph autoencoders based on locally rigid Laman graphs and globally rigid unique graphs, and (2) we explore the clustering of jet constituents into subjets to interpolate between high- and low-level input representations. We obtain the best performance, measured in terms of the Significance Improvement Characteristic curve for an intermediate level of subjet clustering and certain sparse unique graph constructions. We further investigate the role of graph connectivity in jet classification tasks. Our results demonstrate the potential of leveraging graph-theoretic insights to refine and increase the interpretability of machine learning tools for collider experiments.

Automation↗
DOE OSTI2026

Algorithm to extract direction in 2D discrete distributions and a continuous Frobenius norm

In this study, we present a novel algorithm for determining directionality in 2D distributions of discrete data. We compare a reference dataset with a known direction to a measured dataset with an unknown direction by the Frobenius norm of the difference (FND) to find the unknown direction. To generalize this concept, we develop a continuous Frobenius norm of the difference (CFND) as a continuous analog of the FND and derive its analytical expression. By relating fitted and normalized 2D Gaussian distributions, we show that the CFND approximates the FND, and we validate this relationship with computer simulations. We find that a first-order approximation of the CFND between two similar Gaussian distributions takes the form of an absolute sine function, offering a simple analytical form with potential applications in specialized areas such as segmented inverse beta decay neutrino detectors, astronomy, machine learning, and more. Our methodology consists of modeling a 2D Gaussian distribution, binning the data into a histogram, and encoding it as a square matrix. Rotating this matrix around its geometric center and comparing it to a measured dataset using the FND gives us rotational data that we fit with an absolute sine function. The location of the minimum of this fit is the angle closest to the true angle of the direction in the measured dataset. We present the derivation and discuss initial applications of the CFND in our novel algorithm, demonstrating its success in approximating directionality in 2D distributions.

Physics↗
DOE OSTI2025

Machine learning models for PDE constrained optimization

Partial differential equation (PDE)-constrained optimization problems arise in a variety of scientific and engineering applications, such as topology optimization, electrodynamics, fluid dynamics, and structural dynamics. However, these problems are often challenging and computationally expensive to solve, due to the need to solve the PDEs within the optimization loop. One approach to reducing the computational cost of these methods while providing convergence guarantees is through inexact trust region methods; this method uses lower fidelity solutions of the PDE at early stages of the optimization and adjusts the required accuracy of inexact PDE solvers as the optimization progresses. In this work, we explore the use of machine learning based surrogate models with these inexact trust region methods. We first demonstrate the potential of this approach by using Gaussian processes as the surrogate model and test this on a simple PDE-constrained optimization problem. We then document explorations into improving the computational costs of evolutional deep neural network / neural Galerkin methods, with the eventual goal of using these methods with the inexact trust region algorithms. We are able to speed up these approaches, albeit at the cost of lower accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

High-Resolution Model Intercomparison Project phase 2 (HighResMIP2) towards CMIP7

Abstract. Robust projections and predictions of climate variability and change, particularly at regional scales, rely on the driving processes being represented with fidelity in model simulations. Consequently, the role of enhanced horizontal resolution in improved process representation in all components of the climate system continues to be of great interest. Recent simulations suggest the possibility of significant changes in both large-scale aspects of the ocean and atmospheric circulations and in the regional responses to climate change, as well as improvements in representations of small-scale processes and extremes, when resolution is enhanced. The first phase of the High-Resolution Model Intercomparison Project (HighResMIP1) was successful at producing a baseline multi-model assessment of global simulations with model grid spacings of 25–50 km in the atmosphere and 10–25 km in the ocean, a significant increase when compared to models with standard resolutions on the order of 1° that are typically used as part of the Coupled Model Intercomparison Project (CMIP) experiments. In addition to over 250 peer-reviewed manuscripts using the published HighResMIP1 datasets, the results were widely cited in the Intergovernmental Panel on Climate Change report and were the basis of a variety of derived datasets, including tracked cyclones (both tropical and extratropical), river discharge, storm surge, and impact studies. There were also suggestions from the few ocean eddy-rich coupled simulations that aspects of climate variability and change might be significantly influenced by improved process representation in such models. The compromises that HighResMIP1 made should now be revisited, given the recent major advances in modelling and computing resources. Aspects that will be reconsidered include experimental design and simulation length, complexity, and resolution. In addition, larger ensemble sizes and a wider range of future scenarios would enhance the applicability of HighResMIP. Therefore, we propose the High-Resolution Model Intercomparison Project phase 2 (HighResMIP2) to improve and extend the previous work, to address new science questions, and to further advance our understanding of the role of horizontal resolution (and hence process representation) in state-of-the-art climate simulations. With further increases in high-performance computing resources and modelling advances, along with the ability to take full advantage of these computational resources, an enhanced investigation of the drivers and consequences of variability and change in both large- and synoptic-scale weather and climate is now possible. With the arrival of global cloud-resolving models (currently run for relatively short timescales), there is also an opportunity to improve links between such models and more traditional CMIP models, with HighResMIP providing a bridge to link understanding between these domains. HighResMIP also aims to link to other CMIP projects and international efforts such as the World Climate Research Program lighthouse activities and various digital twin initiatives. It also has the potential to be used as training and validation data for the fast-evolving machine learning climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Predicting Drug Effects from High-dimensional Asymmetric Drug Data Sets using Graph Neural Networks: A Comprehensive Analysis of Multi-target Drug Effect Prediction

Graph neural networks (GNNs) have emerged as one of the most effective Machine learning (ML) techniques for drug effect prediction from drug molecular graphs. Despite having immense potential, GNN models lack performance when using data sets that contain high dimensional asymmetrically co-occurrent drug effects as targets with complex correlations between them. Training individual learning models for each drug effect and incorporating every prediction result for a wide spectrum of drug effects is beyond practicality. Such an implication provides a testbed to address this challenge as multi-target prediction problems, aiming to predict all drug effects at a time. We develop standard and hybrid graph neural networks (GNNs)to perform two separate tasks that are multi-regression for continuous values and multi-label classification for categorical values contained in our data sets. Since this step makes the target data even more sparse and introduces asymmetric label co-occurrence, the learning of multi-label classification models becomes difficult and heavily impacts the GNN's performance. To address these challenges, we propose a new data oversampling technique to improve multi-label classification performances on all the given imbalanced molecular graph data sets. Using the technique, we improve the data imbalance ratio of the drug effects better than before while protecting the data set's integrity. Finally, we evaluate multi-label classification performance using the best-performant hybrid GNN model on all the oversampled data sets obtained from the proposed oversampling technique. These results outperform those of other ML models including GNN models when they are trained on the original data sets or oversampled data sets using MLSMOTE (a well-known oversampling technique) in all evaluation metrics precision, recall, and F1 score by a significant margin.

Bose, Avishek [ORNL]↗
DOE OSTI2024

Machine Learning for Additive Manufacturing of Functionally Graded Materials

Additive Manufacturing (AM) is a transformative manufacturing technology enabling direct fabrication of complex parts layer-by-layer from 3D modeling data. Among AM applications, the fabrication of Functionally Graded Materials (FGMs) has significant importance due to the potential to enhance component performance across several industries. FGMs are manufactured with a gradient composition transition between dissimilar materials, enabling the design of new materials with location-dependent mechanical and physical properties. This study presents a comprehensive review of published literature pertaining to the implementation of Machine Learning (ML) techniques in AM, with an emphasis on ML-based methods for optimizing FGMs fabrication processes. Through an extensive survey of the literature, this review article explores the role of ML in addressing the inherent challenges in FGMs fabrication and encompasses parameter optimization, defect detection, and real-time monitoring. The article also provides a discussion of future research directions and challenges in employing ML-based methods in the AM fabrication of FGMs.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Harnessing the Power of Machine Learning and Omics to Identify Environmental Regulation on Microbial Functional Composition for Soil C, N, and P Cycling

Microbial enzyme-mediated soil organic matter (SOM) decomposition regulates many key ecosystem functions, such as elemental cycling, soil carbon sequestration, and soil fertility. However, representing microbial processes in Earth system models (ESMs) remains challenging due to a limited understanding of the spatial patterns of diverse microbial functions responsible for soil carbon (C), nitrogen (N), and phosphorus (P) cycling as well as the underlying mechanisms regulating their relative abundances across various environments. We collected published metagenomics data across the continental US (CONUS) to identify hundreds of microbial genes involved in soil C, N, and P cycling and grouped them into eight enzyme functional classes (EFCs). Each EFC represented a group of gene-encoded potential enzymes that decompose similar soil compounds. By integrating the abundances of omics-informed EFCs with the corresponding environmental information, we trained a machine learning (ML) model to identify key edaphic, climate, and vegetation factors regulating the abundances of each EFC. Quantitative analysis of effects of these factors revealed that the spatial distribution of eight EFCs for soil C, N, and P cycling across CONUS reflected potential resource optimization strategies of microbial communities under nutrient limitation, preferential organic-mineral associations, and climatological stresses. This insight, together with the interpreted ML tool and the CONUS-level benchmark for EFCs abundances, paves the way for parameterizing environmental-regulated microbial functional dynamics in biogeochemical models.

machine learning↗
DOE OSTI2026

Comparison of CNN-Based Image Classification Approaches for Implementation of Low-Cost Multispectral Arcing Detection

Camera-based sensing has benefited in recent years from developments in machine learning data processing methods, as well as improved data collection options such as Unmanned Aerial Vehicles (UAV) mounted sensors. However, cost considerations, both for the initial purchase of sensors as well as updates, maintenance, or potential replacement if damaged, can limit adoption of more expensive sensing options for some applications. To evaluate more affordable options with less expensive, more available, and more easily replaceable hardware, we examine the use of machine learning-based image classification with custom datasets, utilizing deep learning based-image classification and the use of ensemble models for sensor fusion. Utilizing the same models for each camera to reduce technical overhead, we showed that for a very representative training dataset, camera-based detection can be successful for detection of electrical arcing. We also use multiple validation datasets, based on conditions expected to be of varying difficulty, to evaluate custom data. These results show that ensemble models of different data sources can mitigate risks from gaps in training data, though the system will be less redundant for those cases unless other precautions are taken. We found that with good quality custom datasets, data fusion models can be utilized without specialization in design to the specific cameras utilized, allowing for less specialized, more accessible equipment to be utilized as multispectral camera components. This approach can provide an alternative to expensive sensing equipment for applications in which lower-cost or more easily replaceable sensing equipment is desirable.

convolutional neural networks↗