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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 19 records

GraMeR: Gra ph Me ta R einforcement learning for multi-objective influence maximization

Influence maximization (IM) is a combinatorial problem of identifying a subset of seed nodes in a network (graph), which when activated, provide a maximal spread of influence in the network for a given diffusion model and a budget for seed set size. IM has numerous applications such as viral marketing, epidemic control, sensor placement and other network-related tasks. However, its practical uses are limited due to the computational complexity of current algorithms. Recently, deep reinforcement learning has been leveraged to solve IM in order to ease the computational burden. However, there are serious limitations in current approaches, including narrow IM formulation that only consider influence via spread and ignore self-activation, low scalability to large graphs, and lack of generalizability across graph families leading to a large running time for every test network. In this work, we address these limitations through a unique approach that involves: (1) Formulating a generic IM problem as a Markov decision process that handles both intrinsic and influence activations; (2)incorporating generalizability via meta-learning across graph families. There are previous works that combine deep reinforcement learning with graph neural network, but this work solves a more realistic IM problem and incorporates generalizability across graphs via meta reinforcement learning. Extensive experiments are carried out in various standard networks to validate performance of the proposed Graph Meta Reinforcement learning (GraMeR) framework. Finally, the results indicate that GraMeR is multiple orders faster and generic than conventional approaches when applied on small to medium scale graphs.

97 MATHEMATICS AND COMPUTING↗

Routing Problem for Unmanned Aerial Vehicle Patrolling Missions - A Progressive Hedging Algorithm

This paper presents a two-stage stochastic program to model a routing problem involving an Unmanned Aerial Vehicle (UAV) in the context of patrolling missions. In particular, given a set of targets and a set of supplemental targets corresponding to each target, the first stage decisions involve finding the sequence in which the vehicle has to visit the set of targets. Upon reaching each target, the UAV collects information and if the operator of the UAV deems that the information collected is not of sufficient fidelity, then the UAV has to visit all the supplemental targets corresponding to that target to collect additional information before proceeding to visit the next target. The problem is solved using a progressive hedging algorithm and extensive computational results corroborating the effectiveness of the proposed model and the solution methodology is presented.

33 ADVANCED PROPULSION SYSTEMS↗

Impact of cyber attacks on distributed compressive sensing based state estimation in power distribution grids

Modern power distribution grids suffer from multiple vulnerabilities due to the tight integration between the physical system and the cyber infrastructure. Sophisticated and malicious cyber attacks continue to adversely impact the grid operation leading to performance degradation, service interruption, and grid failure. State estimation plays an essential role in grid monitoring and advancing cyber-attack situational awareness. In this regard, this paper first proposes a distributed compressive sensing (CS) state estimation approach for an unobservable distribution grid. Further, the proposed distributed CS approach divides the distribution grid into sub-areas to perform local state estimation. Then an alternating direction method of multipliers (ADMM) based iterative information exchange among neighboring areas is employed to complete the estimation process. In this estimation process, the impact of loss of measurement data, false data injection (FDI), replay, and neighborhood cyber-attacks is analyzed. Extensive simulations are performed on the IEEE 37-bus and IEEE 123-bus standard networks to demonstrate the algorithm’s robustness to the aforementioned cyber-attacks. A quantitative analysis of computational complexity and simulation time of the distributed CS based approach is also presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Comparing crystal structures with symmetry and geometry

Abstract Measuring the similarity between two arbitrary crystal structures is a common challenge in crystallography and materials science. Although there are an infinite number of ways to mathematically relate two crystal structures, only a few are physically meaningful. Here we introduce both a geometry-based and a symmetry-adapted similarity metric to compare crystal structures. Using crystal symmetry and combinatorial optimization we describe an algorithm to arrive at the structural relationship that minimizes these similarity metrics across all possible maps between any pair of crystal structures. The approach makes it possible to (i) identify pairs of crystal structures that are identical, (ii) quantitatively measure the similarity between crystal structures, and (iii) find and rank structural transformation pathways between any pair of crystal structures. We discuss the advantages of using the symmetry-adapted cost metric over the geometric cost. Finally, we show that all known structural transformation pathways between common crystal structures are recovered with the mapping algorithm. The methodology presented in this study will be of value to efforts that seek to catalogue crystal structures, identify structural transformation pathways or prune large first-principles datasets used to parameterize on-lattice Hamiltonians.

36 MATERIALS SCIENCE↗

Optimal Voltage Control in Low-Observable Unbalanced Distribution Systems

The increased integration of distributed energy resources (DERs) in distribution systems brings both advantages and technical challenges. High levels of DERs can often cause over/under voltage problems. Classical voltage control algorithms are based on full knowledge of voltage states across all nodes in the system. However, this may not be a practical assumption since many locations in distribution systems are unobservable. Therefore, this paper proposes a new model predictive control (MPC) based control algorithm that accounts for system unobservability to efficiently eliminate voltage violations with as low as 50% fraction of observable nodes. Additionally, an analytical voltage sensitivity framework is employed to quickly determine the change in voltage states due to PV injections. The effectiveness of the proposed method is validated via simulations on the unbalanced IEEE 37 node test system.

Abujubbeh, Mohammad↗

Structural variant analysis of a cancer reference cell line sample using multiple sequencing technologies

The cancer genome is commonly altered with thousands of structural rearrangements including insertions, deletions, translocation, inversions, duplications, and copy number variations. Thus, structural variant (SV) characterization plays a paramount role in cancer target identification, oncology diagnostics, and personalized medicine. As part of the SEQC2 Consortium effort, the present study established and evaluated a consensus SV call set using a breast cancer reference cell line and matched normal control derived from the same donor, which were used in our companion benchmarking studies as reference samples. We systematically investigated somatic SVs in the reference cancer cell line by comparing to a matched normal cell line using multiple NGS platforms including Illumina short-read, 10X Genomics linked reads, PacBio long reads, Oxford Nanopore long reads, and high-throughput chromosome conformation capture (Hi-C). We established a consensus SV call set of a total of 1788 SVs including 717 deletions, 230 duplications, 551 insertions, 133 inversions, 146 translocations, and 11 breakends for the reference cancer cell line. To independently evaluate and cross-validate the accuracy of our consensus SV call set, we used orthogonal methods including PCR-based validation, Affymetrix arrays, Bionano optical mapping, and identification of fusion genes detected from RNA-seq. We evaluated the strengths and weaknesses of each NGS technology for SV determination, and our findings provide an actionable guide to improve cancer genome SV detection sensitivity and accuracy. A high-confidence consensus SV call set was established for the reference cancer cell line. A large subset of the variants identified was validated by multiple orthogonal methods.

59 BASIC BIOLOGICAL SCIENCES↗

Efficient Network Partitioning: Application for Decentralized State Estimation in Power Distribution Grids: Preprint

Increase in the proliferation of DERs requires real-time situational awareness for efficient grid operations. State estimation plays an important role for real time control and management of the power grid. As the sensing infrastructure grows, aggregating and handling high volumes of data at a centralized location is extremely difficult. To address this challenge, this paper first proposes a novel and efficient hierarchical spectral clustering-based network partition algorithm followed by a decentralized compressive sensing (DCS) based state estimation. The applicability of the proposed network partitioning algorithm is tested on IEEE-123 bus, IEEE-8500 node, and a 6204-node distribution network. The results shows that the proposed approach efficiently divides the network into multiple sub-networks with the minimum edge connections among the neighbors. Then, we perform DCS-based state estimation on the 6204-node distribution network after dividing the network into 18 optimal partitions. Simulation results show that DCS-based state estimation recovers the system states with high accuracy and low complexity.

ADMM↗

The Dominant Influencer of Voltage Fluctuation (DIVF) for Power Distribution System

Variability in power generation at multiple consumer owned renewable energy sources can cause random voltage fluctuations, which may result in voltage violations at multiple nodes in a power distribution system. Traditional methods of voltage control are ineffective to address fast voltage variations. New dynamic methods of voltage control using end user devices can significantly benefit from the knowledge of the dominant influencer of voltage fluctuation (DIVF). This paper introduces information theoretic metrics to identify DIVF for every node in the power distribution system. A node can be DIVF due to its location in the distribution system and its capacity to generate and change its power. Use of traditional power flow algorithms to identify the DIVF is computationally complex which limits their use in real-time applications. In this work, information theoretic indicators of the DIVF are computed analytically in a computationally efficient manner, and their effectiveness to identify the DIVF is tested using the IEEE 69 node test system. From simulations, it is illustrated that differential entropy, Kullback-Leibler distance and Frechet distance are effective indicators of the DIVF and can successfully identify the most influential nodes providing the foundation for intelligent voltage control.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Stability of Transactive Energy Market-Based Power Distribution System Under Data Integrity Attack

Future smart power distribution system with multiple active consumers and aggregators exchanging real-time electricity pricing and electricity consumption information over a communication network is prone to cyberattack. The goal of this paper is to understand the impact of attacks on pricing/load signals on the physical grid within a transactive energy market framework. First, this paper models the interaction between real-time electricity price and total energy demand in the form of a discrete time nonlinear autonomous dynamical system. Second, equilibrium electricity price and energy demand associated with this coupled dynamical system is derived and conditions for bounded input bounded output (BIBO) stability are identified. Third, a BIBO stable algorithm to design real-time electricity pricing scheme from a techno-economic perspective is developed. Finally, the impact of various levels of false data injection (FDI) attack on price of electricity, demand, and distribution system voltage is investigated. The proposed model is analyzed using simulations on the IEEE 69-bus test system and the impact of FDI attack on both electricity price/demand and distribution grid voltage is quantified. In conclusion, this paper shows that impact of FDI attack on electricity prices is more severe than an attack on electricity demand.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Efficient Network Partitioning: Application for Decentralized State Estimation in Power Distribution Grids

Increase in the proliferation of distributed energy resources require real-time situational awareness for efficient grid operations. State estimation plays an important role for the real-time control and management of the power grid. As the sensing infrastructure grows, aggregating and handling high volumes of data at a centralized location is extremely difficult. To address this challenge, this paper first proposes a novel and efficient hier-archical spectral clustering-based network partitioning algorithm followed by a decentralized compressive sensing (DCS)-based state estimation. The applicability of the proposed network partitioning algorithm is tested on an IEEE 123-bus network, an IEEE 8,500-node system, and a 6,000+ node distribution network. The results shows that the proposed approach efficiently divides the network into multiple sub-networks with the minimum number of edge connections among the neighbors. Then, we perform DCS-based state estimation on the 6,000+ node distribution network after dividing the network into 18 optimal partitions. Simulation results show that the DCS-based state estimation recovers the system states with high accuracy and low complexity.

alternating direction method of multipliers↗

Challenges and Opportunities in Deep Reinforcement Learning With Graph Neural Networks: A Comprehensive Review of Algorithms and Applications

Deep reinforcement learning (DRL) has empowered a variety of artificial intelligence fields, including pattern recognition, robotics, recommendation-systems, and gaming. Similarly, graph neural networks (GNN) have also demonstrated their superior performance in supervised learning for graph-structured data. In recent times, the fusion of GNN with DRL for graph-structured environments has attracted a lot of attention. Here, this paper provides a comprehensive review of these hybrid works. These works can be classified into two categories: (1) algorithmic enhancement, where DRL and GNN complement each other for better utility; (2) application-specific enhancement, where DRL and GNN support each other. This fusion effectively addresses various complex problems in engineering and life sciences. Based on the review, we further analyze the applicability and benefits of fusing these two domains, especially in terms of increasing generalizability and reducing computational complexity. Finally, the key challenges in integrating DRL and GNN, and potential future research directions are highlighted, which will be of interest to the broader machine learning community.

97 MATHEMATICS AND COMPUTING↗

LoVoCCS. I. Survey Introduction, Data Processing Pipeline, and Early Science Results

We present the Local Volume Complete Cluster Survey (LoVoCCS; we pronounce it as "low-vox" or "law-vox," with stress on the second syllable), an NSF's National Optical-Infrared Astronomy Research Laboratory survey program that uses the Dark Energy Camera to map the dark matter distribution and galaxy population in 107 nearby (0.03 < z < 0.12) X-ray luminous ([0.1–2.4 keV] L X500 > 10 44 erg s –1 ) galaxy clusters that are not obscured by the Milky Way. The survey will reach Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) Year 1–2 depth (for galaxies r = 24.5, i = 24.0, signal-to-noise ratio (S/N) > 20; u = 24.7, g = 25.3, z = 23.8, S/N > 10) and conclude in ~2023 (coincident with the beginning of LSST science operations), and will serve as a zeroth-year template for LSST transient studies. We process the data using the LSST Science Pipelines that include state-of-the-art algorithms and analyze the results using our own pipelines, and therefore the catalogs and analysis tools will be compatible with the LSST. We demonstrate the use and performance of our pipeline using three X-ray luminous and observation-time complete LoVoCCS clusters: A3911, A3921, and A85. A3911 and A3921 have not been well studied previously by weak lensing, and we obtain similar lensing analysis results for A85 to previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗

Algorithms and Statistical Models for Scientific Discovery in the Petabyte Era

The field of astronomy has arrived at a turning point in terms of size and complexity of both datasets and scientific collaboration. Commensurately, algorithms and statistical models have begun to adapt --- e.g., via the onset of artificial intelligence --- which itself presents new challenges and opportunities for growth. This white paper aims to offer guidance and ideas for how we can evolve our technical and collaborative frameworks to promote efficient algorithmic development and take advantage of opportunities for scientific discovery in the petabyte era. We discuss challenges for discovery in large and complex data sets; challenges and requirements for the next stage of development of statistical methodologies and algorithmic tool sets; how we might change our paradigms of collaboration and education; and the ethical implications of scientists' contributions to widely applicable algorithms and computational modeling. We start with six distinct recommendations that are supported by the commentary following them. This white paper is related to a larger corpus of effort that has taken place within and around the Petabytes to Science Workshops (https://petabytestoscience.github.io/).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Perturbation-Based Diagnosis of False Data Injection Attack Using Distributed Energy Resources

Modern smart grid relies on various sensor measurements for its operational control. In a successful false data injection attack, the attacker manipulates the measurements from the grid sensors such that undetected errors are introduced into the estimates of the system parameters leading to catastrophic situations. This paper proposes a novel perturbation based false data injection attack detection mechanism that utilizes inverter based distributed energy resources (DERs) to create low magnitude perturbation signal in the distribution system voltage that is inconsequential to the normal grid operation. Two voltage sensitivity analysis based algorithms are designed to identify the optimal set of DERs that can create the voltage perturbation signal of desired magnitude. An analytical method of voltage sensitivity analysis is used to compute the magnitude of voltage perturbation signal at each node in a computationally efficient manner. Then, a detection mechanism is developed that checks for the presence of the perturbation sequence in each sensor measurement. A sensor measurement is deemed authentic if the voltage perturbation signal is present in the data. In case of sensor malfunction or cyber-attack, the perturbation signal will not be present in the measurement data. Performance of the proposed attack detection mechanism is validated via simulation of the IEEE 69 bus test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A novel framework for hosting capacity analysis with spatio-temporal probabilistic voltage sensitivity analysis

Smart grids are envisioned to accommodate high penetration of distributed photovoltaic (PV) generation, which may cause adverse grid impacts in terms of voltage violations. Therefore, PV Hosting capacity is being used as a planning tool to determine the maximum PV installation capacity that causes the first voltage violation and above which would require infrastructure upgrades. Additionally, traditional methods of Hosting capacity analysis are scenario based and computationally complex as they rely on iterative load flow algorithms that require investigating a large number of scenarios for accurate assessment of PV impacts. Therefore, this paper presents a computationally efficient analytical approach to compute the probability distribution of voltage change due to random behavior of randomly located multiple distributed PVs. The proposed approach is based on Spatio-temporal probabilistic voltage sensitivity analysis that exploits both spatial and temporal uncertainties associated with PV injections. Thereafter, the derived distribution is used to quantify voltage violations for various PV penetration levels and subsequently determine the hosting capacity of the system without the need to examine large number of scenarios. Results of the proposed framework are validated via conventional load flow based simulation approach on the IEEE 37 and IEEE 123 node test systems.

42 ENGINEERING↗

An Information Theoretic Approach to Identify Dominant Voltage Influencers for Unbalanced Distribution Systems

Smart distribution grid with multiple renewable energy sources can experience random voltage fluctuations due to variable generation, which may result in voltage violations. Traditional voltage control algorithms are inadequate to handle fast voltage variations. Therefore, new dynamic control methods are being developed that can significantly benefit from the knowledge of dominant voltage influencer (DVI) nodes. DVI nodes for a particular node of interest refer to nodes that have a relatively high impact on the voltage fluctuations at that node. Conventional power flow-based algorithms to identify DVI nodes are computationally complex, which limits their use in real-time applications. This paper proposes a novel information theoretic voltage influencing score (VIS) that quantifies the voltage influencing capacity of nodes with DERs/active loads in a three phase unbalanced distribution system. VIS is then employed to rank the nodes and identify the DVI set. VIS is derived analytically in a computationally efficient manner and its efficacy to identify DVI nodes is validated using the IEEE 37-node test system. It is shown through experiments that KL divergence and Bhattacharyya distance are effective indicators of DVI nodes with an identifying accuracy of more than 90%. Additionally, the computation burden is also reduced by an order of 5, thus providing the foundation for efficient voltage control.

42 ENGINEERING↗

CASM — A software package for first-principles based study of multicomponent crystalline solids

CASM is a software package that enables first-principles based studies of crystalline materials. It has been designed to treat coupled chemical, mechanical, vibrational, and magnetic degrees of freedom to determine ground state and finite temperature properties of crystals. The symmetry of the underlying parent crystal structure is used to enumerate perturbations of the parent crystal structure and generate derivative structures which can be input to first-principles calculations in order to explore the ground state energy landscape. CASM algorithmically constructs cluster expansions that fully couple discrete and continuous degrees of freedom, and generates highly efficient code to evaluate the cluster expansion basis functions. Widely used machine learning methods are integrated for fitting expansion coefficients to first-principle calculations. The fully parameterized cluster expansions can be combined with (kinetic) Monte Carlo methods to calculate finite temperature thermodynamic and kinetic properties. CASM Alloy Manager identifies distinct parent crystal structures in an alloy system, creating individual projects for each, and integrating the results. The integrated infrastructure facilitates the linkage between first-principles statistical mechanics predictions with higher length scale computational methods, such as phase field simulations. In conclusion, CASM projects are designed to be easy to share in repositories, to re-use, and to extend to include additional chemical species or types of degrees of freedom.

36 MATERIALS SCIENCE↗

A General Spatiotemporal Imputation Framework for Missing Sensor Data

Many applications from precision agriculture, environmental monitoring and transportation networks rely on data collected across space and time over a large geographic area. Missing data poses a significant challenge for any data-driven inference and control tasks. Data imputation or the estimation of missing data can help fill these gaps by utilizing inherent spatial relationships and temporal patterns. A variety of spatiotemporal imputation models have been developed to address missing data in spatiotemporal datasets. However, these classical methods rely on the assumption that the underlying data follows a smooth trend and fail to provide accurate estimates when there is a large number of missing points in the data. Even though there are machine learning driven tensor completion approaches such as convolutional neural network based tensor completion (CoSTCo) that capture the non-linear relationships in the dataset, the transductive nature makes the algorithm less scalable. Thus, existing approaches for estimating the missing information do not effectively capture all dimensions of the spatiotemporal data structure, resulting in erroneous predictions and poor performance. The main contributions of this paper are: (1) We propose a novel inductive framework (G-LSTM) for missing data imputation that integrates a graph neural network with LSTMs to effectively capture both spatial and temporal dependencies. (2) Experimental results on a traffic dataset demonstrate that the proposed GNN integrated with an LSTM framework achieves improved imputation and maintains steady performance even when there are extreme missing conditions in comparison with the state-of-the-art imputation framework (i.e, CoSTCo). (3) The simulation results on a traffic network show up to 69% reduction in mean absolute error and 61% reduction in root mean square error when compared to CoSTCo.

Tharzeen, Aabila↗