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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Analyzing large data sets from XGC1 magnetic fusion simulations using apache spark

Apache Spark is explored as a tool for analyzing large data sets from the magnetic fusion simulation code XGCI. Implementation details of Apache Spark on the NERSC Edison supercomputer are discussed, including binary file reading, and parameter setup. Here, an unsupervised machine learning algorithm, k-means clustering, is applied to XGCI particle distribution function data, showing that highly turbulent spatial regions do not have common coherent structures, but rather broad, ring-like structures in velocity space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Time Sequence Machine Learning-Based Data Intrusion Detection for Smart Voltage Source Converter-Enabled Power Grid

Smart inverters of distributed energy resources can enable cloud computing, condition monitoring, result visualization, remote control, and peer-to-peer energy trading in advanced power systems. However, the advent of data injection attacks in the communication architecture can alter measurement characteristics of power grids and have devastating consequences. In this article, we propose a time sequence machine learning-based anomaly detection methodology for detecting cyber intrusion into control signal setpoints and dc voltage signal measurement bias of the voltage source converter (VSC) in wind generators. We first investigated the effects of four types of denial of service, tampering signal, and stealthy-type data intrusion attacks on smart VSCs and overall wind farms. We then proposed a novel time sequence machine learning-based intrusion detection framework that can be implemented to detect different cyberattacks in the VSCs. The performance of the proposed framework has been compared with that of autoencoder and clustering-based intrusion detection framework. The proposed framework was validated by using the IEEE 39 bus power system in the presence of four wind farms in different locations. Using several metrics for intrusion detection performance, we validated the effectiveness of the proposed framework.

42 ENGINEERING↗
DOE OSTI2026

Machine learning surrogates for ion energy–angle distributions in thermal and RF plasma sheaths

Ion energy–angle distributions (IEADs) at material surfaces are a critical input for plasma–material interaction (PMI) studies in fusion devices, yet they are computationally expensive to obtain using particle-in-cell (PIC) simulations. In this work, we develop a machine learning surrogate based on a deep deconvolutional neural network (DDeCNN) trained on large databases generated with the hPIC2 code. The surrogate is capable of reconstructing IEADs from sheath parameters for both thermal and radio-frequency (RF) plasmas, including cases with multiple ion species. Across thousands of test cases, the model achieves high accuracy, with over 97 % of predictions classified as good or average based on standard error metrics (MAE, MSE, L2). Even in the more challenging RF and multi-species regimes, the surrogate reliably captures the multi-peak structure of PIC results. Once trained, the surrogate produces IEADs in milliseconds on a common workstation, yielding speedups of six to seven orders of magnitude compared with running a full PIC simulation. This computational gain enables dense parameter scans and direct coupling of IEAD predictions with PMI and erosion models on whole-device scales in fusion-relevant conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Experimental Setup and Learning-Based AI Model for Developing Accurate PV Inverter Models [Slides]

The integration of power electronics-based interfaces presents challenges due to the absence of detailed models and the high computational complexity. Generic models used in system studies lack accuracy in capturing converter dynamics. This paper proposes a data-driven approach developed from experimental setup data. This approach enhances accuracy in photovoltaic inverter modeling. We used two types of PV inverters in the experiment. The recorded experimental data undergo processing through a machine learning model. Results from the model trained through machine learning is also presented.

14 SOLAR ENERGY↗
DOE OSTI2022

A machine-learning framework for the simulation of nuclear deflection of Planet-Killer-Asteroids

Here, as detection capabilities in astronomy have dramatically improved over the last two decades, concerns over Planet-Killer-Asteroids (PKAs) have become widespread, with nuclear weapons being proposed to destroy or deflect asteroids that are on a short-term projected collision course with Earth. Two main mitigation strategies have been proposed: • Case 1: Break up an incoming asteroid into smaller pieces that will disperse widely, resulting in smaller-scale, less detrimental, Earth-impacts or • Case 2: Deflect an incoming asteroid trajectory to avoid collision altogether. While the two strategies are not mutually exclusive, deflection is a safer strategy, ideally by harnessing all of the released energy from a nuclear device to move the asteroid as a rigid body. However, this case may not be always possible, since the strength of the energy release may break up the asteroid. In this work, the dynamical response of a PKA to a series of ultra-high energy impulses, such as those generated by nuclear devices, is formulated. A rapid iterative Discrete Element Method (DEM) method is developed to describe the deflection and potential breakup of the PKA as a function of a material bonding strength parameter within the asteroid and the magnitude of the applied impulse. The use of DEM allows for fragmentation of the PKA and the ability to compute the trajectories and distribution of the resulting debris field. Finally, a machine-learning algorithm is then developed and combined with the DEM approach to optimize the pulsation strategy for maximum possible safety and success.

42 ENGINEERING↗
DOE OSTI2023

Confidentiality-preserving machine learning algorithms for soft-failure detection in optical communication networks

Automated fault management is at the forefront of next-generation optical communication networks. The increase in complexity of modern networks has triggered the need for programmable and software-driven architectures to support the operation of agile and self-managed systems. In these scenarios, the European Telecommunications Standards Institute zero-touch network and service management approach is imperative. The need for machine learning algorithms to process the large volume of telemetry data brings safety concerns as distributed cloud-computing solutions become the preferred approach for deploying reliable communication network automation. This paper’s contribution is twofold. First, we propose a simple yet effective method to guarantee the confidentiality of the telemetry data based on feature scrambling. The method allows the operation of third-party computational services without direct access to the full content of the collected data. Additionally, the effectiveness of four unsupervised machine learning algorithms for soft-failure detection is evaluated when applied to the scrambled telemetry data. The methods are based on factor analysis, principal component analysis, nonlinear principal component analysis, and singular value decomposition. Most dimensionality reduction algorithms have the common property that they can maintain similar levels of fault classification performance while hiding the data structure from unauthorized access. Evaluations of the proposed algorithms demonstrate this capability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

TGE: Machine Learning Based Task Graph Embedding for Large-Scale Topology Mapping

Task mapping is an important problem in parallel and distributed computing. The goal in task mapping is to find an optimal layout of the processes of an application (or a task) onto a given network topology. We target this problem in the context of staging applications. A staging application consists of two or more parallel applications (also referred to as staging tasks) which run concurrently and exchange data over the course of computation. Task mapping becomes a more challenging problem in staging applications, because not only data is exchanged between the staging tasks, but also the processes of a staging task may exchange data with each other. We propose a novel method, called Task Graph Embedding (TGE), that harnesses the observable graph structures of parallel applications and network topologies. TGE employs a machine learning based algorithm to find the best representation of a graph, called an embedding, onto a space in which the task-to-processor mapping problem can be solved. We evaluate and demonstrate the effectiveness of TGE experimentally with the communication patterns extracted from runs of XGC, a large-scale fusion simulation code, on Titan.

Choi, Jong Youl↗
DOE OSTI2023

Uncertainty-aware photovoltaic generation estimation through fusion of physics with harmonics information using Bayesian neural networks

We develop an aggregate photovoltaic generation estimation methodology that uses diverse inputs and can reason on its current input-dependent predictive uncertainty. Named PVPHEst, for PhotoVoltaic Physics- & Harmonics-driven Estimator, the resulting tool is intelligently weighing and fusing information carried by the output of physics models, harmonics, and line sensors, using Bayesian neural networks and related techniques aimed at solving machine learning problems with intrinsic uncertainty quantification. As each of the three input classes carries heterogeneous information that only sheds light on one facet of the estimation problem but its value can diminish in the face of diverse grid phenomena, PV-PHEst with its estimation and uncertainty reasoning capabilities perform a nontrivial and potentially mission-critical task of value to grid operators.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Machine Learning Analysis of Hydrologic Exchange Flows and Transit Time Distributions in a Large Regulated River

Hydrologic exchange between river channels and adjacent subsurface environments is a key process that influences water quality and ecosystem function in river corridors. High-resolution numerical models were often used to resolve the spatial and temporal variations of exchange flows, which are computationally expensive. In this study, we adopt Random Forest (RF) and Extreme Gradient Boosting (XGB) approaches for deriving reduced order models of hydrologic exchange flows and associated transit time distributions, with integrated field observations (e.g., bathymetry) and hydrodynamic simulation data (e.g., river velocity, depth). The setup allows an improved understanding of the influences of various physical, spatial, and temporal factors on the hydrologic exchange flows and transit times. The predictors also contain those derived using hybrid clustering, leveraging our previous work on river corridor system hydromorphic classification. The machine learning-based predictive models are developed and validated along the Columbia River Corridor, and the results show that the top parameters are the thickness of the top geological formation layer, the flow regime, river velocity, and river depth; the RF and XGB models can achieve 70% to 80% accuracy and therefore are effective alternatives to the computational demanding numerical models of exchange flows and transit time distributions. Each machine learning model with its favorable configuration and setup have been evaluated. The transferability of the models to other river reaches and larger scales, which mostly depends on data availability, is also discussed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Machine Learning-Assisted Distribution System Network Reconfiguration Problem

High penetration from volatile renewable energy resources in the grid and the varying nature of loads raise the need for frequent line switching to ensure the efficient operation of electrical distribution networks. Operators must ensure maximum load delivery, reduced losses, and the operation between voltage limits. However, computations to decide the optimal feeder configuration are often computationally expensive and intractable, making it unfavorable for real-time operations. This is mainly due to the existence of binary variables in the network reconfiguration optimization problem. To tackle this issue, we have devised an approach that leverages machine learning techniques to reshape distribution networks featuring multiple substations. This involves predicting the substation responsible for serving each part of the network. Hence, it leaves simple and more tractable Optimal Power Flow problems to be solved. This method can produce accurate results in a significantly faster time, as demonstrated using the IEEE 37-bus distribution feeder. Compared to the traditional optimization-based approaches, a feasible solution is achieved approximately ten times faster for all the tested scenarios.

deep neural networks↗
DOE OSTI2025

Performance Evaluation of Vertical Federated Machine Learning Against Adversarial Threats on Wide-Area Control System: Preprint

Federated machine learning (FL) is gaining significant popularity to develop cybersecurity solutions in power grids because of its advanced capability to support decentralized data handing at local devices, its privacy preservation, and its low-bandwidth requirement. However, the evolving adversarial machine learning (AML) threats raise significant concerns for the cybersecurity of FL architectures. The FL-based split neural network (SplitNN) achieves high performance through the decentralized training of local neural network models while preserving data privacy across multiple entities. In this paper, we propose a methodology for evaluating the performance of a vertical FLbased anomaly detector against different types of AML attacks, including denial-of-service attacks, adversarial data injection attacks, and replay attacks on the trained local models deployed in the grid network. For a case study, we consider the modified IEEE 13-bus system, and we develop SplitNN-based binary and multiclass classification models to detect, locate, and identify different types of data integrity attacks on the volt-watt control with two pooling layers: maximum pooling and AvgPool. Our experimental results, computed through performance metrics, reveal that the severity of these AML attacks varies with the integrated pooling mechanism, the type of classification model, and the nature of the cyberattack. Further, the AML attacks negatively impacted the prediction time per sample for the pretrained SplitNN during the online testing.

adversarial threats↗
DOE OSTI2021

Multi-Area Distribution System State Estimation Using Decentralized Physics-Aware Neural Networks

The development of active distribution grids requires more accurate and lower computational cost state estimation. In this paper, the authors investigate a decentralized learning-based distribution system state estimation (DSSE) approach for large distribution grids. The proposed approach decomposes the feeder-level DSSE into subarea-level estimation problems that can be solved independently. The proposed method is decentralized pruned physics-aware neural network (D-P2N2). The physical grid topology is used to parsimoniously design the connections between different hidden layers of the D-P2N2. Monte Carlo simulations based on one-year of load consumption data collected from smart meters for a three-phase distribution system power flow are developed to generate the measurement and voltage state data. The IEEE 123-node system is selected as the test network to benchmark the proposed algorithm against the classic weighted least squares and state-of-the-art learning-based DSSE approaches. Numerical results show that the D-P2N2 outperforms the state-of-the-art methods in terms of estimation accuracy and computational efficiency.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

What does fault tolerant Deep Learning need from MPI?

Deep Learning (DL) algorithms have become the {\em de facto} Machine Learning (ML) algorithm for large scale data analysis. DL algorithms are computationally expensive -- even distributed DL implementations which use MPI require days of training (model learning) time on commonly studied datasets. Long running DL applications become susceptible to faults -- requiring development of a fault tolerant system infrastructure, in addition to fault tolerant DL algorithms. This raises an important question: {\em What is needed from MPI for designing fault tolerant DL implementations?} In this paper, we address this problem for permanent faults. We motivate the need for a fault tolerant MPI specification by an in-depth consideration of recent innovations in DL algorithms and their properties, which drive the need for specific fault tolerance features. We present an in-depth discussion on the suitability of different parallelism types (model, data and hybrid); a need (or lack thereof) for check-pointing of any critical data structures; and most importantly, consideration for several fault tolerance proposals (user-level fault mitigation (ULFM), Reinit) in MPI and their applicability to fault tolerant DL implementations. We leverage a distributed memory implementation of Caffe, currently available under the Machine Learning Toolkit for Extreme Scale (MaTEx). We implement our approaches by extending MaTEx-Caffe for using ULFM-based implementation. Our evaluation using the ImageNet dataset and AlexNet neural network topology demonstrates the effectiveness of the proposed fault tolerant DL implementation using OpenMPI based ULFM.

Amatya, Vinay C.↗
DOE OSTI2024

Efficient Anomaly Detection Driven By Different Machine Learning Architectures And Models

The rapid growth and ubiquitous adoption of the internet and cyber-physical systems (CPS) have fundamentally transformed modern communication, work, and human-system interactions. While networks now form the backbone of critical digital ecosystems, enabling seamless data transmission across diverse, interconnected systems, this increased connectivity also expands the attack surface, making real-time detection of network intrusions and anomalies a pressing challenge. Detecting unusual activities within network infrastructure requires advanced data traffic analysis to differentiate between legitimate and malicious interactions. Traditional approaches to network anomaly detectionâ??such as rule-based and signature-based systemsâ??often depend on predefined patterns to identify known anomalies, limiting their effectiveness against emerging, stealthy, or previously unseen threats. These conventional methods suffer from high false alarm rates and fail to adapt to the ever-evolving nature of network traffic, particularly in large-scale, decentralized environments where data volume, velocity, and variety are constantly increasing. This dissertation presents artificial intelligence (AI)-driven approaches to anomaly detection that leverage graphics processing unit (GPU)-enabled high-performance computing (HPC) platforms for processing massive network traffic data and monitoring the components of cyber-physical systems (CPS) for potentially hazardous conditions. The research advances several key contributions: (1) Designing efficient machine learning techniques for CPS condition monitoring and anomaly detection; (2) enabling federated learning (FL) frameworks that enable distributed detection while preserving data privacy and system resilience; (3) exploring graph-based methodologies combining graph neural networks (GNN) and graph machine learning (ML) approaches for the Internet of Things (IoT) and automotive network security, and (4) performing distributed edge computing optimizations that integrate FL with scalable technologies for reduced communication overhead. Through extensive experiments, these methodologies demonstrate that complex anomaly detection and condition monitoring tasks can be achieved while balancing computational efficiency and detection accuracy through fine-grained network information processing. The frameworks developed in this research establish a robust foundation for network anomaly detection, providing scalable, adaptive, and privacy-preserving solutions for safeguarding CPS and IoT networks in an increasingly interconnected digital landscape. The practical implications of these research findings are significant, as they can inform the development of next-generation network security systems and contribute to the protection of critical infrastructure against sophisticated cyber attacks.

Marfo, William↗
DOE OSTI2019

Site-averaged kinetics for catalysts on amorphous supports: an importance learning algorithm

Ab initio calculations have greatly advanced our understanding of homogeneous catalysts and crystalline heterogeneous catalysts. In contrast, amorphous heterogeneous catalysts remain poorly understood. The principal difficulties include (i) the nature of the disorder is quenched and unknown; (ii) each active site has a different local environment and activity; (iii) active sites are rare, often less than ~20% of potential sites, depending on the catalyst and its preparation method. Few (if any) studies of amorphous heterogeneous catalysts have ever attempted to compute site-averaged kinetics, because the exponential dependence on variable activation energy requires an intractable number of ab initio calculations to converge. We present a new algorithm using machine learning techniques (metric learning kernel regression) and importance sampling to efficiently learn the distribution of activation energies. We demonstrate the algorithm by computing the site-averaged activity for a model amorphous catalyst with quenched disorder.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Bi-sparsity pursuit: A paradigm for robust subspace recovery

The success of sparse models in computer vision and machine learning is due to the fact that, high dimensional data is distributed in a union of low dimensional subspaces in many real-world applications. The underlying structure may, however, be adversely affected by sparse errors. In this paper, we propose a bi-sparse model as a framework to analyze this problem, and provide a novel algorithm to recover the union of subspaces in the presence of sparse corruptions. We further show the effectiveness of our method by experiments on real-world vision data.

42 ENGINEERING↗
DOE OSTI2024

Optimizing High-Throughput Inference on Graph Neural Networks at Shared Computing Facilities with the NVIDIA Triton Inference Server

Abstract With machine learning applications now spanning a variety of computational tasks, multi-user shared computing facilities are devoting a rapidly increasing proportion of their resources to such algorithms. Graph neural networks (GNNs), for example, have provided astounding improvements in extracting complex signatures from data and are now widely used in a variety of applications, such as particle jet classification in high energy physics (HEP). However, GNNs also come with an enormous computational penalty that requires the use of GPUs to maintain reasonable throughput. At shared computing facilities, such as those used by physicists at Fermi National Accelerator Laboratory (Fermilab), methodical resource allocation and high throughput at the many-user scale are key to ensuring that resources are being used as efficiently as possible. These facilities, however, primarily provide CPU-only nodes, which proves detrimental to time-to-insight and computational throughput for workflows that include machine learning inference. In this work, we describe how a shared computing facility can use the NVIDIA Triton Inference Server to optimize its resource allocation and computing structure, recovering high throughput while scaling out to multiple users by massively parallelizing their machine learning inference. To demonstrate the effectiveness of this system in a realistic multi-user environment, we use the Fermilab Elastic Analysis Facility augmented with the Triton Inference Server to provide scalable and high-throughput access to a HEP-specific GNN and report on the outcome.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗