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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 865 records · Page 48

Identifying Sample Provenance From SEM/EDS Automated Particle Analysis via Few-Shot Learning Coupled With Similarity Graph Clustering

Automated particle analysis (APA) provides a vast amount of compositional data via energy-dispersive X-ray spectroscopy along with size and shape data via scanning electron microscopy for individual particles in a sample. In many instances, APA data are leveraged to support identification of the source of a sample based on the detection of particles of a specific composition. Often, the particles that provide context make up a minuscule portion of the sample. Additionally, the interpretation of complex samples can be difficult due to the diversity of compositions both in the mixture and within a particle. In this work, we demonstrate a method to compute and cluster similarity graphs that describe inter-particle relationships within a sample using a multi-modal few-shot learning neural network. Here, as a proof-of-concept, we show that samples known to have been exposed to gunshot residue can be distinguished from samples occasionally mistaken for gunshot residue. Our workflow builds upon standard APA techniques and data processing methods to unveil additional information in a readily interpretable and quantitatively comparable format.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Differentially Private Generation of Social Networks via Exponential Random Graph Models

Many social networks contain sensitive relational information. One approach to protect the sensitive relational information while offering flexibility for social network research and analysis is to release synthetic social networks at a pre-specified privacy risk level, given the original observed network. In this work, we propose the DP-ERGM procedure that synthesizes networks that satisfy the differential privacy (DP) via the exponential random graph model (EGRM). We apply DP-ERGM to a college student friendship network and compare its original network information preservation in the generated private networks with two other approaches: differentially private DyadWise Randomized Response (DWRR) and Sanitization of the Conditional probability of Edge given Attribute classes (SCEA). The results suggest that DP-EGRM preserves the original information significantly better than DWRR and SCEA in both network statistics and inferences from ERGMs and latent space models. In addition, DP-ERGM satisfies the node DP, a stronger notion of privacy than the edge DP that DWRR and SCEA satisfy.

97 MATHEMATICS AND COMPUTING↗

Automated Realistic Testbed Synthesis for Power System Communication Networks based on Graph Metrics

Communication networks are integral to modern power grid operations and are becoming increasingly critical as grid dynamics speed up and as more controls become closed-loop in form. Focusing on the interdependence between the physical grid and the communication system, we identify several key characteristics and typical graph properties based on analysis of a real communication system for a power grid. Moreover, an automated process was provided for synthetic testbed in the NS-3 simulator for the power system test case, and its network characteristics have been further derived for power system monitoring and control applications

Graph Analysis, Synthetic Testbed, communication n↗

Codesign Lessons Learned from Implementing Graph Matching on Multithreaded Architectures

Co-design of algorithms and architectures is an effective way to address the performance of irregular applications on multithreaded architectures. We explore the interplay between algorithm design and architectural features using graph matching as a case study. We present the key lessons that we have learnt as a means to influence co-design of algorithms and architecture for execution of data-intensive irregular workloads.

matching, graph algorithms, multithreaded architec↗

A Graph Convolutional Network for Active Distribution System Anomaly Detection Considering Measurement Spatial-Temporal Correlations

The accuracy of distribution system state estimation may be significantly impacted by the existence of bad measure-ments and unexpected topology errors. This paper proposes a data-driven Graph Convolutional Network (GCN) for anomaly detection, including bad measurements and topology change events. Compared to many existing machine learning approaches, the proposed approach embeds both spatial-temporal measure-ment correlations, which allows us to detect and distinguish different anomalies. Numerical results carried out on the IEEE 37-node system demonstrate that the proposed-based method can obtain high accuracy in detecting bad data and topology changes as compared to other approaches, even in the presence of high PV penetrations.

active distribution system↗

Generalized Graph Laplacian Based Anomaly Detection for Spatiotemporal MicroPMU Data

This letter develops a novel anomaly detection method using the generalized graph Laplacian (GGL) matrix to visualize the spatiotemporal relationship of distribution-level phasor measurement unit (uPMU) data. The uPMU data in a specific time horizon is segregated into multiple segments. An optimization problem formulated as a Lagrangian function is utilized to estimate the GGL matrix. During the iterative process, an optimal update is constituted as a quadratic program (QP) problem. To perform the uPMU-based spatiotemporal analysis, normalized diagonal elements of GGL matrix are proposed as a quantitative metric. The effectiveness of the developed method is demonstrated through real-world uPMU measurements gathered from test feeders in Riverside, CA.

97 MATHEMATICS AND COMPUTING↗

Probabilistic Physics-Informed Graph Convolutional Network for Active Distribution System Voltage Prediction

Here this letter proposes a novel data-driven probabilistic physics-informed graph convolutional network (GCN) for active distribution system voltage prediction with PVs and EVs. It leverages both measurements and network topology to accurately and efficiently predict node voltages without the need for an accurate distribution system power flow model. The dropout-enabled Bayesian inference is developed to achieve uncertainty quantification of the voltage prediction. Thanks to the network model embedding, it also has robustness against topology changes, a key difference with existing machine learning-based approaches. Comparison results with other state-of-the-art machine learning methods on a realistic 759-node distribution system demonstrate that the proposed method can achieve better accuracy and robustness under different scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Analysis and Visualization of Discrete Fracture Networks Using a Flow Topology Graph

We present an analysis and visualization prototype using the concept of a flow topology graph (FTG) for characterization of flow in constrained networks, with a focus on discrete fracture networks (DFN), developed collaboratively by geoscientists and visualization scientists. Our method allows users to understand and evaluate flow and transport in DFN simulations by computing statistical distributions, segment paths of interest, and cluster particles based on their paths. The new approach enables domain scientists to evaluate the accuracy of the simulations, visualize features of interest, and compare multiple realizations over a specific domain of interest. Geoscientists can simulate complex transport phenomena modeling large sites for networks consisting of several thousand fractures without compromising the geometry of the network. However, few tools exist for performing higher-level analysis and visualization of simulated DFN data. The prototype system we present addresses this need. Here, we demonstrate its effectiveness for increasingly complex examples of DFNs, covering two distinct use cases - hydrocarbon extraction from unconventional resources and transport of dissolved contaminant from a spent nuclear fuel repository.

97 MATHEMATICS AND COMPUTING↗

3D liver segmentation using multiple region appearances and graph cuts

Purpose: Efficient and accurate 3D liver segmentations from contrast-enhanced computed tomography (CT) images play an important role in therapeutic strategies for hepatic diseases. However, inhomogeneous appearances, ambiguous boundaries, and large variance in shape often make it a challenging task. The existence of liver abnormalities poses further difficulty. Despite the significant intensity difference, liver tumors should be segmented as part of the liver. This study aims to address these challenges, especially when the target livers contain subregions with distinct appearances. Methods: The authors propose a novel multiregion-appearance based approach with graph cuts to delineate the liver surface. For livers with multiple subregions, a geodesic distance based appearance selection scheme is introduced to utilize proper appearance constraint for each subregion. A special case of the proposed method, which uses only one appearance constraint to segment the liver, is also presented. The segmentation process is modeled with energy functions incorporating both boundary and region information. Rather than a simple fixed combination, an adaptive balancing weight is introduced and learned from training sets. The proposed method only calls initialization inside the liver surface. No additional constraints from user interaction are utilized. Results: The proposed method was validated on 50 3D CT images from three datasets, i.e., Medical Image Computing and Computer Assisted Intervention (MICCAI) training and testing set, and local dataset. On MICCAI testing set, the proposed method achieved a total score of 83.4 ± 3.1, outperforming nonexpert manual segmentation (average score of 75.0). When applying their method to MICCAI training set and local dataset, it yielded a mean Dice similarity coefficient (DSC) of 97.7% ± 0.5% and 97.5% ± 0.4%, respectively. These results demonstrated the accuracy of the method when applied to different computed tomography (CT) datasets. In addition, user operator variability experiments showed its good reproducibility. Conclusions: A multiregion-appearance based method is proposed and evaluated to segment liver. This approach does not require prior model construction and so eliminates the burdens associated with model construction and matching. The proposed method provides comparable results with state-of-the-art methods. Validation results suggest that it may be suitable for the clinical use.

60 APPLIED LIFE SCIENCES↗

Multilevel Spectral Coarsening for Graph Laplacian Problems with Application to Reservoir Simulation

We extend previously developed two-level coarsening procedures for graph Laplacian problems written in a mixed saddle point form to the fully recursive multilevel case. The resulting hierarchy of discretizations gives rise to a hierarchy of upscaled models, in the sense that they provide approximation in the natural norms (in the mixed setting). This property enables us to utilize them in three applications: (i) as an accurate reduced model, (ii) as a tool in multilevel Monte Carlo simulations (in application to finite volume discretizations), and (iii) for providing a sequence of nonlinear operators in a full approximation scheme for solving nonlinear pressure equations discretized by the conservative two-point flux approximation. Finally, we illustrate the potential of the proposed multilevel technique in all three applications on a number of popular benchmark problems used in reservoir simulation.

multilevel Monte Carlo↗

A resilient network recovery framework against cascading failures with deep graph learning

Because of the increasing importance and dependencies of infrastructure networks and the potential for massive cascading failures in real-world network systems, maintenance optimization to effectively reduce system performance loss caused by diverse disruptions is of significant interest among researchers and practitioners. In this work, a new recovery framework was developed to rapidly identify important system components for maintenance to improve network resilience against cascading failures. Here this work provides distinct advantages to determine an optimal maintenance priority by combining real-time network structure importance with other maintenance prioritization based on customer preference. This approach adopts structural graph embedding and deep reinforcement learning to extract real-time network topology information (such as minimum vertex cover) to update the maintenance priority during the recovery process. Based on the case studies on synthetic networks and a US airport network, the proposed recovery framework with real-time network topology awareness shows better performance than other maintenance prioritization strategies regarding resilience enhancement. This work improves the understanding of how the changing network structure influences maintenance effects. It also provides insights of the practical usefulness of advanced deep learning on helping optimal maintenance prioritization to effectively reduce the intensity and extent of cascading failures.

42 ENGINEERING↗

Memristive networks: From graph theory to statistical physics

In this work, we provide an introduction to a very specific toy model of memristive networks, for which an exact differential equation for the internal memory which contains the Kirchhoff laws is known. In particular, we highlight how the circuit topology enters the dynamics via an analysis of directed graph. We try to highlight in particular the connection between the asymptotic states of memristors and the Ising model, and the relation to the dynamics and statics of disordered systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Graph Neural Networks for Parameterized Quantum Circuits Expressibility Estimation (Rev.1)

Parameterized quantum circuits (PQCs) are fundamental to quantum machine learning (QML), quantum optimization, and variational quantum algorithms (VQAs). The expressibility of PQCs is a measure that determines their capability to harness the full potential of the quantum state space. It is thus a crucial guidepost to know when selecting a particular PQC ansatz. However, the existing technique for expressibility computation through statistical estimation requires a large number of samples, which poses significant challenges due to time and computational resource constraints. This paper introduces a novel approach for expressibility estimation of PQCs using Graph Neural Networks (GNNs). We demonstrate the predictive power of our GNN model with a dataset consisting of 25,000 samples from the noiseless IBM QASM Simulator and 12,000 samples from three distinct noisy quantum backends. The model accurately estimates expressibility, with root mean square errors (RMSE) of 0.05 and 0.06 for the noiseless and noisy backends, respectively. We compare our model’s predictions with reference circuits from Sim et al. and IBM Qiskit’s hardwareefficient ansatz sets to further evaluate our model’s performance. Our experimental evaluation in noiseless and noisy scenarios reveals a close alignment with ground truth expressibility values, highlighting the model’s efficacy. Moreover, our model exhibits promising extrapolation capabilities, predicting expressibility values with low RMSE for out-of-range qubit circuits trained solely on only up to 5-qubit circuit sets. This work thus provides a reliable means of efficiently evaluating the expressibility of diverse PQCs on noiseless simulators and hardware.

97 MATHEMATICS AND COMPUTING↗

End-to-end optimization for battery materials and molecules by combining graph neural networks and reinforcement learning

The National Renewable Energy Laboratory (NREL), together with the Colorado School of Mines (CSM) and Colorado State University (CSU), has developed a machine learning-enhanced approach to design new battery materials. Currently, such materials are designed in part via numerous expensive high-fidelity computational simulations that predict the performance of a given composition. Even with computational screening tools, the vast landscape of possible molecular or crystal structures exceeds current and future computational capacity. Improving the efficiency by which new materials can be optimized will therefore disrupt the cost, risk, and time required to bring new energy solutions to the marketplace. Predicting the properties of an organic molecule or periodic crystalline material given its structure has grown increasingly common. These approaches leverage large-scale computational and experimental databases and ML approaches such as graph neural networks. The inverse design problem of finding a material that possesses desired properties is substantially more challenging, since enumerating all valid material structures is not feasible. In this project, we leveraged recent success in reinforcement learning to efficiently navigate this high-dimensional search space. Just as algorithms can find the optimal chess moves from nearly limitless options, we train an approach to evolve a simple starting structure into a complex structure that possess the desired properties. Our solution has been demonstrated by applying it to two related design application tasks for short- and long-term energy storage, respectively: (1) the design of solid-state ion conductors and (2) the design of organic redox-active materials. The project has resulted an open-source software library for material design, documented examples of applying the library to both organic and inorganic material optimization, and peer-reviewed publications detailing the data, computational models, and resulting candidate materials.

25 ENERGY STORAGE↗

Analyzing Impact of Distributed PV Generation on Integrated Transmission & Distribution System Voltage Stability—A Graph Trace Analysis Based Approach

The use of a Graph Trace Analysis (GTA)-based power flow for analyzing the voltage stability of integrated Transmission and Distribution (T&D) networks is discussed in the context of distributed Photovoltaic (PV) generation. The voltage stability of lines and the load carrying capability of buses is analyzed at various PV penetration levels. It is shown that as the PV generation levels increase, an increase in the steady state voltage stability of the system is observed. Moreover, within certain regions of stability margin changes, changes in voltage stability margins of transmission lines are shown to be linearly related to changes in the loading of the lines. Two case studies are presented, where one case study involves a model with eight voltage levels and 784,000 nodes. In one case study, a voltage-stability heat map is used to demonstrate the identification of weak lines and buses.

14 SOLAR ENERGY↗