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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Learning Latent Interactions for Event Identification via Graph Neural Networks and PMU Data

Phasor measurement units (PMUs) are being widely installed on power systems, providing a unique opportunity to enhance wide-area situational awareness. One essential application is the use of PMU data for real-time event identification. However, how to take full advantage of all PMU data in event identification is still an open problem. Thus, we propose a novel method that performs event identification by mining interaction graphs among different PMUs. The proposed interaction graph inference method follows an entirely data-driven manner without knowing the physical topology. Moreover, unlike previous works that treat interactive learning and event identification as two different stages, our method learns interactions jointly with the identification task, thereby improving the accuracy of graph learning and ensuring seamless integration between the two stages. Moreover, to capture multi-scale event patterns, a dilated inception-based method is investigated to perform feature extraction of PMU data. To test the proposed data-driven approach, a large real-world dataset from tens of PMU sources and the corresponding event logs have been utilized in this work. We report numerical results validate that our method has higher classification accuracy compared to previous methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Single Grid Error Estimation for Neutron Transport Solvers

The method of nearby problems (MNP) is a solution verification technique that does not require the use of multiple spatial grids. To estimate spatial discretization error without requiring a high-fidelity spatial grid, an analytical curve fit is interpolated from the numerical solution. The residual between the curve fit solution and numerical solution is calculated and added as an additional source term to the governing equation. The nearby solution is estimated using the updated source term and boundary conditions to remain consistent with the curve fit interpolation. The nearby solution can be compared to the curve fit solution as a discretization error estimation while using a single spatial grid. Without the use of higher fidelity spatial grids, the MNP is able to approximate the spatial discretization error, a facet of solution verification. The application of the method of nearby problems is presented for one- and two-dimensional neutron transport problems for both fixed source and criticality problems on the spatial variable. The fixed source results demonstrate the effectiveness of nearby problems for spatial error identification using the discrete ordinates method. Criticality results are shown to identify area of high spatial error for the C5G7 problem as well as for the discrete ordinates solver. A novel approach of combining the capabilities of Monte Carlo with the discrete ordinates nearby problems is presented for one- and two-dimensional fixed source problems. In conclusion, the MNP demonstrates its effectiveness at identifying spatial error on a single structured grid with a wide variety of neutron transport problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Joint Topology Identification and State Estimation in Unobservable Distribution Grids

Many distribution system operations (e.g., state estimation, control, fault detection/localization) rely on the assumption that the underlying topology is accurately defined. In general, topology identification is a challenging problem in distribution systems as these systems are unobservable with a very limited number of available measurements. In this paper, we tackle this problem by designing a compressive sensing framework that jointly estimates the systems states and network topology via an integrated mixed integer nonlinear program (MINLP) formulation. Here, two reformulations of the original MINLP problems are investigated. Firstly, in order to remove the nonlinearity in the MINLP formulation, a mixed integer linear programming (MILP) problem that employs auxiliary variables is derived. Furthermore, to achieve a faster solution, convex relaxation of the original formulation is derived. Finally, using a Markovian model for topology changes, prior information about system topology is used to improve topology identification particularly when a limited amount of measurements is available. Simulation results on IEEE 37-bus test feeder and IEEE 123-bus test feeder illustrate the efficiency and scalability of the proposed approaches from both state estimation and topology identification point of view (even with 30% of available data).

42 ENGINEERING↗
DOE OSTI2024

Molecular Vision - Multimodal, multitask retrieval of molecular structure from measured signatures for reference-free compound identification

We are currently at risk of generating false conclusions based on limited methods to identify small molecules in biological systems and in chemical forensics. By definition, the chemical structures of novel small molecules have not been determined, let alone measured or synthesized. Currently, unambiguous structure determination of small molecules is constrained by the time and effort needed to isolate compounds and perform de novo structure elucidation using laboratory-based methods, significantly extending the time to inform mitigation strategies. To address this gap, we have developed a deep learning approach to directly map molecular structure to experimental signatures. We aim to unify measurement technologies employed in untargeted small molecule identification studies—such as infrared (IR) spectrometry, tandem mass spectrometry (MS/MS), ion mobility spectrometry-derived collision cross section (CCS)—through use of a multimodal, multitask deep learning architecture. Where existing methods require direct generation of information-rich spectra and/or properties, an inherently difficult task, we will simplify molecular signature-based identification by posing the problem as a recognition or retrieval task. The model is thus presented with relevant endpoints – structure and one or more molecular signatures – and need only determine whether they are semantically related. Thus, our approach offers the following advantages over existing techniques: (i) circumvents difficulties associated with direct generation of molecular signatures from structure and structure from signatures; (ii) incorporates multiple molecular signatures simultaneously, as available, to support identification; and (iii) enables rapid computation of structural embeddings toward broad coverage of known chemical space. Taken together, the approach removes the need to explicitly obtain or compute reference spectra, representing a powerful method for compound identification that requires only experimentally observed signatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Maximum Likelihood Spectrum Decomposition for Isotope Identification and Quantification

A spectral decomposition method has been implemented to identify and quantify isotopic source terms in high-resolution gamma-ray spectroscopy in static geometry and shielding scenarios. Monte Carlo simulations were used to build the response matrix of a shielded high-purity germanium detector monitoring an effluent stream with a Marinelli configuration. The decomposition technique was applied to a series of calibration spectra taken with the detector using a multi-nuclide standard. These results are compared with decay-corrected values from the calibration certificate. For most nuclei in the standard ( 241 Am, 109 Cd, 137 Cs, and 60 Co), the deviations from the certificate values were generally no more than 6% with a few outliers as high as 10%. Furthermore, for 57 Co, the radionuclide with the lowest activity, the deviations from the standard reached as high as 25%, driven by the meager statistics in the calibration spectra. In addition, a complete treatment of error propagation for the technique is presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Machine learning based algorithms for uncertainty quantification in numerical weather prediction models

Complex numerical weather prediction models incorporate a variety of physical processes, each described by multiple alternative physical schemes with specific parameters. The selection of the physical schemes and the choice of the corresponding physical parameters during model configuration can significantly impact the accuracy of model forecasts. There is no combination of physical schemes that works best for all times, at all locations, and under all conditions. It is therefore of considerable interest to understand the interplay between the choice of physics and the accuracy of the resulting forecasts under different conditions. This paper demonstrates the use of machine learning techniques to study the uncertainty in numerical weather prediction models due to the interaction of multiple physical processes. The first problem addressed herein is the estimation of systematic model errors in output quantities of interest at future times, and the use of this information to improve the model forecasts. The second problem considered is the identification of those specific physical processes that contribute most to the forecast uncertainty in the quantity of interest under specified meteorological conditions. In order to address these questions we employ two machine learning approaches, random forests and artificial neural networks. The discrepancies between model results and observations at past times are used to learn the relationships between the choice of physical processes and the resulting forecast errors. Numerical experiments are carried out with the Weather Research and Forecasting (WRF) model. The output quantity of interest is the model precipitation, a variable that is both extremely important and very challenging to forecast. The physical processes under consideration include various micro-physics schemes, cumulus parameterizations, short wave, and long wave radiation schemes. The experiments demonstrate the strong potential of machine learning approaches to aid the study of model errors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Non-Intrusive Appliance Identification with Appliance-Specific Networks

The problem of noninstrusive load monitoring (NILM) is usually formulated as a single-channel blind source separation task, whose successful solution enable fast and convenient load identification and energy disaggregation. When applied at test time, NILM algorithms aim to identify the operating characteristics of individual appliances from an aggregate power measurement of the entire house. Recent advances in deep learning gave rise to many methods that mostly focus on learning a direct mapping from aggregate measurement to individual appliance power. However, these methods are not only computationally expensive, but they often suffer from overfitting and do not generalize very well. In this article, we propose a novel NILM method that leverages advances in statistical learning that have not been properly applied in this domain before. The proposed method consists of three stages: first, a Bayesian nonparametric learning-based approach for appliance state extraction; second, synthetic minority oversampling technique for data augmentation and mitigating the heavy imbalance in switching events; and third, appliance-specific lightweight long short-term memory networks for status classification for each appliance. Here, we adopt a “differential” input (the difference before and after the switching event) to reduce the complexity of network training and make the proposed method robust to multiappliance switching events. Experiments are conducted to demonstrate the effectiveness of the proposed method, achieving superior performance when compared to recent methods. An ablation study is conducted to demonstrate the effectiveness of each module of our method. Finally, we investigate the quality of generated synthetic samples.

42 ENGINEERING↗
DOE OSTI2021

An optimization-based approach to parameter learning for fractional type nonlocal models

Nonlocal operators of fractional type are a popular modeling choice for applications that do not adhere to classical diffusive behavior; however, one major challenge in nonlocal simulations is the selection of model parameters. In this study we propose an optimization-based approach to parameter identification for fractional models with an optional truncation radius. We formulate the inference problem as an optimal control problem where the objective is to minimize the discrepancy between observed data and an approximate solution of the model, and the control variables are the fractional order and the truncation length. For the numerical solution of the minimization problem we propose a gradient-based approach, where we enhance the numerical performance by an approximation of the bilinear form of the state equation and its derivative with respect to the fractional order. Several numerical tests in one and two dimensions illustrate the theoretical results and show the robustness and applicability of our method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

An optimization-based approach to parameter learning for fractional type nonlocal models

Nonlocal operators of fractional type are a popular modeling choice for applications that do not adhere to classical diffusive behavior; however, one major challenge in nonlocal simulations is the selection of model parameters. In this work we propose an optimization-based approach to parameter identification for fractional models with an optional truncation radius. We formulate the inference problem as an optimal control problem where the objective is to minimize the discrepancy between observed data and an approximate solution of the model, and the control variables are the fractional order and the truncation length. For the numerical solution of the minimization problem we propose a gradient-based approach, where we enhance the numerical performance by an approximation of the bilinear form of the state equation and its derivative with respect to the fractional order. Several numerical tests in one and two dimensions illustrate the theoretical results and show the robustness and applicability of our method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Physics-Informed Neural Network Method for Forward and Backward Advection-Dispersion Equations

Advection-dispersion equations (ADEs) are commonly used to describe transport phenomena in porous media. Even though mature discretization-based numerical methods for ADEs exist, some challenges still remain, especially when it comes to solving advection-dominated forward ADEs and diffusion-dominated backward ADEs. The latter problem usually arises in the source identification context and leads to numerically unstable grid-based solutions that require a form of regularization or should be treated as an inverse problem that is computationally more expensive because it requires solving the forward problem multiple times. In this study, we propose a discretization-free approach based on the physics-informed neural network (PINN) method for solving coupled ADE and Darcy flow equations with space-dependent hydraulic conductivity. In this approach, the hydraulic conductivity, hydraulic head, and concentration fields are approximated with deep neural networks (DNNs). We assume that the conductivity field is given by its values on a grid, and we use these values to train the conductivity DNN. The head and concentration DNNs are trained by minimizing the residuals of the flow equation and ADE and using the initial and boundary conditions as additional constraints. The PINN method is applied to one- and two-dimensional forward ADE problems, where its performance for various P\'{e}clet numbers ($Pe$) is compared with the analytical and numerical solutions. We find that the PINN method is accurate with errors of less than 1\% and outperforms some conventional discretization-based methods for $Pe$ larger that 100. Next, we demonstrate that the PINN method remains accurate for the backward ADEs, with the relative errors in most cases staying under 5\% compared to the reference concentration field. Finally, we show that when available, the concentration measurements can be easily incorporated in the PINN method and significantly improve (by more than 50\% in the considered cases) the accuracy of the PINN solution of the backward ADE.

He, Qizhi↗
DOE OSTI2022

Joint Survey Processing. I. Compact Oddballs in the COSMOS Field—Low-luminosity Quasars at z > 6?

The faint-end slope of the quasar luminosity function at z ~ 6 and its implication on the role of quasars in reionizing the intergalactic medium at early times has been an outstanding problem for some time. The identification of faint high-redshift quasars with luminosities of <10 44.5 erg s –1 is challenging. They are rare (few per square degree), and the separation of these unresolved quasars from late-type stars and compact star-forming galaxies is difficult from ground-based observations alone. In addition, source confusion becomes significant at >25 mag, with ~30% of sources having their flux contaminated by foreground objects when the seeing resolution is ~0''.7. We mitigate these issues by performing a pixel-level joint processing of ground and space-based data from Subaru/Hyper-SuprimeCam (HSC) and Hubble Space Telescope (HST) Advanced Camera for Surveys (ACS). We create a deconfused catalog over the 1.64 deg 2 of the COSMOS field, after accounting for spatial varying point-spread functions and astrometric differences between the two data sets. We identify twelve low-luminosity (M UV ~ –21 mag) z > 6 quasar candidates through (i) their red color measured between ACS/F814W and HSC/i band and (ii) their compactness in the space-based data. Nondetections of our candidates in Hubble DASH data argues against contamination from late-type stars. Our constraints on the faint end of the quasar luminosity function at z ~ 6.4 suggest a negligibly small contribution to reionization compared to the star-forming galaxy population. The confirmation of our candidates and the evolution of number density with redshift could provide better insights into how supermassive galaxies grew in the first billion years of cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Cooperative Systems in Presence of Cyber-Attacks: A Unified Framework for Resilient Control and Attack Identification

Here, this paper considers a cooperative control problem in presence of unknown attacks. The attacker aims at destabilizing the consensus dynamics by intercepting the system’s communication network and corrupting its local state feedback. We first revisit the virtual network based resilient control proposed in our previous work and provide a new interpretation and insights into its implementation. Based on these insights, a novel distributed algorithm is presented to detect and identify the compromised communication links. It is shown that it is not possible for the adversary to launch a harmful and stealthy attack by only manipulating the physical states being exchanged via the network. In addition, a new virtual network is proposed which makes it more difficult for the adversary to launch a stealthy attack even though it is also able to manipulate information being exchanged via the virtual network. A numerical example demonstrates that the proposed control framework achieves simultaneously resilient operation and real-time attack identification.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Toward the Detection of Polyglot Files

Standardized file types play a key role in the development and use of computer software. However, it is possible to confound standardized file type processing by creating a file that is valid in multiple file types. The resulting polyglot (many languages) file can confuse file type identification, allowing elements of the file to evade analysis. This is especially problematic for malware detection systems that rely on file type identification for feature extraction. Although work has been done to identify file types using more comprehensive methods than file signatures, accurate identification of polyglot files remains an open problem. Since malware detection systems routinely perform file type-specific feature extraction, polyglot files need to be filtered out prior to ingestion by these systems. Otherwise, malicious content could pass through undetected. To address the problem of polyglot detection we assembled a data set using the mitra tool. We then evaluated the performance of the most commonly used file identification tools, including file, polydet, binwalk, and TrID. Our analysis demonstrates that existing file type detection tools fail to provide reliable polyglot detection. We then evaluated the ability of a range of machine and deep learning models to detect polyglot files. The most performant models were MalConv2 and Catboost, which demonstrated the highest recall on our data set with 95.16% and 95.45%, respectively. These models outperformed existing methods and could be incorporated into a malware detector’s file processing pipeline to filter out potentially malicious polyglots before file type-dependent feature extraction takes place.

Koch, Luke↗
DOE OSTI2022

Toward the Detection of Polyglot Files

Standardized file types play a key role in the development and use of computer software. However, it is possible to confound standardized file type processing by creating a file that is valid in multiple file types. The resulting polyglot (many languages) file can confuse file type identification, allowing elements of the file to evade analysis. This is especially problematic for malware detection systems that rely on file type identification for feature extraction. Although work has been done to identify file types using more comprehensive methods than file signatures, accurate identification of polyglot files remains an open problem. Since malware detection systems routinely perform file type-specific feature extraction, polyglot files need to be filtered out prior to ingestion by these systems. Otherwise, malicious content could pass through undetected. To address the problem of polyglot detection we assembled a data set using the mitra tool. We then evaluated the performance of the most commonly used file identification tools, including file, polydet, binwalk, and TrID. Our analysis demonstrates that existing file type detection tools fail to provide reliable polyglot detection. We then evaluated the ability of a range of machine and deep learning models to detect polyglot files. The most performant models were MalConv2 and Catboost, which demonstrated the highest recall on our data set with 95.16% and 95.45%, respectively. These models outperformed existing methods and could be incorporated into a malware detector’s file processing pipeline to filter out potentially malicious polyglots before file type-dependent feature extraction takes place.

Koch, Lucas↗
DOE OSTI2020

Indicator Patterns of Forced Change Learned by an Artificial Neural Network

Abstract Many problems in climate science require the identification of signals obscured by both the “noise” of internal climate variability and differences across models. Following previous work, we train an artificial neural network (ANN) to predict the year of a given map of annual‐mean temperature (or precipitation) from forced climate model simulations. This prediction task requires the ANN to learn forced patterns of change amidst a background of climate noise and model differences. We then apply a neural network visualization technique (layerwise relevance propagation) to visualize the spatial patterns that lead the ANN to successfully predict the year. These spatial patterns thus serve as “reliable indicators” of the forced change. The architecture of the ANN is chosen such that these indicators vary in time, thus capturing the evolving nature of regional signals of change. Results are compared to those of more standard approaches like signal‐to‐noise ratios and multilinear regression in order to gain intuition about the reliable indicators identified by the ANN. We then apply an additional visualization tool (backward optimization) to highlight where disagreements in simulated and observed patterns of change are most important for the prediction of the year. This work demonstrates that ANNs and their visualization tools make a powerful pair for extracting climate patterns of forced change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Identification of Material Type and Thickness Using Combined X-ray and Fast Neutron Radiography

Material identification (ID) using radiography is a problem that has implicitly existed since the discovery of the X-ray. Since 9-11, this problem has received renewed attention for homeland security applications of the generic, “what is in the box?” type1. Examples of items potentially in the box include: roadside bombs, nuclear weapons, contraband shipments and the like. In these cases, the “what” can include: explosives, projectiles, fissile material, or drugs. Here we investigate the ability of 60Co gamma-rays, 14MeV neutrons, and their combination to tease apart information about density, thickness and atomic number of items in the box. That information subset can be combined with other types of independent information (e.g. neutron and gammaspectroscopy, intelligence, photographs etc.) to assert a more complete picture of what, exactly, is in the box? That more complete information set can form the basis for actions including: remote detonation, evacuations, disablement, detention, search, arrest etc.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Sparse regression for plasma physics

Many scientific problems can be formulated as sparse regression, i.e., regression onto a set of parameters when there is a desire or expectation that some of the parameters are exactly zero or do not substantially contribute. This includes many problems in signal and image processing, system identification, optimization, and parameter estimation methods such as Gaussian process regression. Sparsity facilitates exploring high-dimensional spaces while finding parsimonious and interpretable solutions. In the present work, we illustrate some of the important ways in which sparse regression appears in plasma physics and point out recent contributions and remaining challenges to solving these problems in this field. Further, a brief review is provided for the optimization problem and the state-of-the-art solvers, especially for constrained and high-dimensional sparse regression.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Contaminant Source Identification from Finite Sensor Data: Perron–Frobenius Operator and Bayesian Inference

Sensors in the built environment ensure safety and comfort by tracking contaminants in the occupied space. In the event of contaminant release, it is important to use the limited sensor data to rapidly and accurately identify the release location of the contaminant. Identification of the release location will enable subsequent remediation as well as evacuation decision-making. In previous work, we used an operator theoretic approach—based on the Perron–Frobenius (PF) operator—to estimate the contaminant concentration distribution in the domain given a finite amount of streaming sensor data. In the current work, the approach is extended to identify the most probable contaminant release location. The release location identification is framed as a Bayesian inference problem. The Bayesian inference approach requires considering multiple release location scenarios, which is done efficiently using the discrete PF operator. The discrete PF operator provides a fast, effective and accurate model for contaminant transport modeling. The utility of our PF-based Bayesian inference methodology is illustrated using single-point release scenarios in both two and three-dimensional cases. The method provides a fast, accurate, and efficient framework for real-time identification of contaminant source location.

42 ENGINEERING↗