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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Direction-optimizing Label Propagation Framework for Structure Detection in Graphs: Design, Implementation, and Experimental Analysis

Label Propagation is not only a well-known machine learning algorithm for classification but also an effective method for discovering communities and connected components in networks. We propose a new Direction-optimizing Label Propagation Algorithm (DOLPA) framework that enhances the performance of the standard Label Propagation Algorithm (LPA), increases its scalability, and extends its versatility and application scope. As a central feature, the DOLPA framework relies on the use of frontiers and alternates between label push and label pull operations to attain high performance. It is formulated in such a way that the same basic algorithm can be used for finding communities or connected components in graphs by only changing the objective function used. Additionally, DOLPA has parameters for tuning the processing order of vertices in a graph to reduce the number of edges visited and improve the quality of solution obtained. We present the design and implementation of the enhanced algorithm as well as our shared-memory parallelization of it using OpenMP. We also present an extensive experimental evaluation of our implementations using the LFR benchmark and real-world networks drawn from various domains. Compared with an implementation of LPA for community detection available in a widely used network analysis software, we achieve at most five times the F-Score while maintaining similar runtime for graphs with overlapping communities. We also compare DOLPA against an implementation of the Louvain method for community detection using the same LFR-graphs and show that DOLPA achieves about three times the F-Score at just 10% of the runtime. For connected component decomposition, our algorithm achieves orders of magnitude speedups over the basic LP-based algorithm on large-diameter graphs, up to 13.2× speedup over the Shiloach-Vishkin algorithm, and up to 1.6× speedup over Afforest on an Intel Xeon processor using 40 threads.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Graph-Env

The Graph-Env library provides a framework for adapting graph search problems into OpenAI Gym environments for reinforcement learning. In other words, Graph-Env enables reinforcement learning algorithms to be applied to graph search problems. Graph search problems include molecule and crystal structure design problems; route planning problems, including traveling salesperson problem; puzzles and games, such as chess and go; shortest path problems; minimum spanning tree; vehicle path generation; and others.

Tripp, Charles↗
DOE OSTI2024

A Data Processing Pipeline To Extract A Knowledge Graph From Sec Documents For Socio-technical Analysis Of Critical Infrastructure Influence

The code is written in Python and consists of the following pipeline that is implemented in Apache Airflow. This pipeline intends to understand the companies that are directly or indirectly involved with a type of critical infrastructure system at some point in that system's lifecycle. The pipeline takes a configuration file that specifies a list of initial companies to consider, a geographic region of interest (disk) expressed as a latitude/longitude point and distance, and a set of SEC form types from which to extract entities and relations. There are three main components to this pipeline as currently implemented: Social Network Extraction, Critical Infrastructure Network Extraction, and Inference and Fusion. First, Social Network Extraction, implemented as the `organizations_sec` component of the workflow graph queries the SEC EDGAR webservice using the list of initial companies from the configuration file. Given this, it extracts metadata that documents the number of each type of form for the given set of companies and their location. This forms metadata represents a catalog of data sources for the extracted social network knowledge graph. The pipeline then downloads these forms from the website and saves them in a build directory for further processing. These documents are then parsed for entities and relations. Second, the Critical Network Extraction component extracts entities and relations for a critical infrastructure sector. Currently, we focus on Electric Vehicle charging stations and this information is available via the Department of Energy (DOE) database on fueling stations maintained by NREL. Third, the Inference and Fusion component relates the social network graph to the critical infrastructure graph in order to understand the impact of a company within a geographic region. Relations include ownership of the EV Charging Station asset as well as maintenance/ownership of the EV payment networks. The fused network can be represented in many ways and currently we emit a knowledge graph.

Weaver, GabrielA.↗
DOE OSTI2022

Synthetic Data and Graph Generation for Modeling Adversarial Activity (Final Project Report)

The Data and Graph Generation for Modeling Adversary Activity (MAA) project developed a methodology along with scalable graph modeling and generation tools to produce realistic large-scale background activity graphs with embedded adversarial activity pathways. The technical report presents PNNL methodology, released datasets, lessons learned, and recommendations to develop graph analytic algorithms for structure-only and attributed knowledge graphs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Promise of Graph Sparsification and Decomposition for Noise Reduction in QAOA: Analysis for Trapped-Ion Compilations

We develop new approximate compilation schemes that significantly reduce the expense of compiling the Quantum Approximate Optimization Algorithm (QAOA) for solving the Max-Cut problem. Our main focus is on compilation with trapped-ion simulators using Pauli-X operations and all-to-all Ising Hamiltonian HIsing evolution generated by Molmer-Sorensen or optical dipole force interactions, though some of our results also apply to standard gate-based compilations. Our results are based on principles of graph sparsification and decomposition; the former reduces the number of edges in a graph while maintaining its cut structure, while the latter breaks a weighted graph into a small number of unweighted graphs. Though these techniques have been used as heuristics in various hybrid quantum algorithms, there have been no guarantees on their performance, to the best of our knowledge. This work provides the first provable guarantees using sparsification and decomposition to improve quantum noise resilience and reduce quantum circuit complexity. For quantum hardware that uses edge-by-edge QAOA compilations, sparsification leads to a direct reduction in circuit complexity. For trapped-ion quantum simulators implementing all-to-all HIsing pulses, we show that for a (1−ϵ) factor loss in the Max-Cut approximation (ϵ>0), our compilations improve the (worst-case) number of HIsing pulses from O(n2) to O(nlog(n/ϵ)) and the (worst-case) number of Pauli-X bit flips from O(n2) to O(nlog(n/ϵ)ϵ2) for n-node graphs. This is an asymptotic improvement for any constant ϵ>0. We demonstrate that significant improvements to the approximation ratio are obtained using decomposition in simulated trapped-ion experiments with dephasing noise. We further present a generic argument showing that sparsification results in an exponentially improved circuit fidelity lower bound in digital computing schemes based on one- and two-qubit gates, which are relevant to a wide variety of hardwares such as superconducting qubits and certain neutral atom or trapped ion setups, and more sophisticated noise models. We anticipate these approximate compilation techniques will be useful tools in a variety of future quantum computing experiments.

Moondra, Jai [Georgia Institute of Technology]↗
DOE OSTI2022

A graph neural network (GNN) approach to basin-scale river network learning: the role of physics-based connectivity and data fusion

Abstract. Rivers and river habitats around the world are under sustained pressure from human activities and the changing global environment. Our ability to quantify and manage the river states in a timely manner is critical for protecting the public safety and natural resources. In recent years, vector-based river network models have enabled modeling of large river basins at increasingly fine resolutions, but are computationally demanding. This work presents a multistage, physics-guided, graph neural network (GNN) approach for basin-scale river network learning and streamflow forecasting. During training, we train a GNN model to approximate outputs of a high-resolution vector-based river network model; we then fine-tune the pretrained GNN model with streamflow observations. We further apply a graph-based, data-fusion step to correct prediction biases. The GNN-based framework is first demonstrated over a snow-dominated watershed in the western United States. A series of experiments are performed to test different training and imputation strategies. Results show that the trained GNN model can effectively serve as a surrogate of the process-based model with high accuracy, with median Kling–Gupta efficiency (KGE) greater than 0.97. Application of the graph-based data fusion further reduces mismatch between the GNN model and observations, with as much as 50 % KGE improvement over some cross-validation gages. To improve scalability, a graph-coarsening procedure is introduced and is demonstrated over a much larger basin. Results show that graph coarsening achieves comparable prediction skills at only a fraction of training cost, thus providing important insights into the degree of physical realism needed for developing large-scale GNN-based river network models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1987

A system for routing arbitrary directed graphs on SIMD architectures

There are many problems which can be described in terms of directed graphs that contain a large number of vertices where simple computations occur using data from connecting vertices. A method is given for parallelizing such problems on an SIMD machine model that is bit-serial and uses only nearest neighbor connections for communication. Each vertex of the graph will be assigned to a processor in the machine. Algorithms are given that will be used to implement movement of data along the arcs of the graph. This architecture and algorithms define a system that is relatively simple to build and can do graph processing. All arcs can be transversed in parallel in time O(T), where T is empirically proportional to the diameter of the interconnection network times the average degree of the graph. Modifying or adding a new arc takes the same time as parallel traversal.

Tomboulian, Sherryl↗
NASA NTRS1988

Overview and extensions of a system for routing directed graphs on SIMD architectures

Many problems can be described in terms of directed graphs that contain a large number of vertices where simple computations occur using data from adjacent vertices. A method is given for parallelizing such problems on an SIMD machine model that uses only nearest neighbor connections for communication, and has no facility for local indirect addressing. Each vertex of the graph will be assigned to a processor in the machine. Rules for a labeling are introduced that support the use of a simple algorithm for movement of data along the edges of the graph. Additional algorithms are defined for addition and deletion of edges. Modifying or adding a new edge takes the same time as parallel traversal. This combination of architecture and algorithms defines a system that is relatively simple to build and can do fast graph processing. All edges can be traversed in parallel in time O(T), where T is empirically proportional to the average path length in the embedding times the average degree of the graph. Additionally, researchers present an extension to the above method which allows for enhanced performance by allowing some broadcasting capabilities.

Tomboulian, Sherryl↗
NASA NTRS1990

AND/OR graph representation of assembly plans

A compact representation of all possible assembly plans of a product using AND/OR graphs is presented as a basis for efficient planning algorithms that allow an intelligent robot to pick a course of action according to instantaneous conditions. The AND/OR graph is equivalent to a state transition graph but requires fewer nodes and simplifies the search for feasible plans. Three applications are discussed: (1) the preselection of the best assembly plan, (2) the recovery from execution errors, and (3) the opportunistic scheduling of tasks. An example of an assembly with four parts illustrates the use of the AND/OR graph representation in assembly-plan preselection, based on the weighting of operations according to complexity of manipulation and stability of subassemblies. A hypothetical error situation is discussed to show how a bottom-up search of the AND/OR graph leads to an efficient recovery.

Homem De Mello, Luiz S.↗
NASA NTRS1992

Structure and strategy in encoding simplified graphs

Tversky and Schiano (1989) found a systematic bias toward the 45-deg line in memory for the slopes of identical lines when embedded in graphs, but not in maps, suggesting the use of a cognitive reference frame specifically for encoding meaningful graphs. The present experiments explore this issue further using the linear configurations alone as stimuli. Experiments 1 and 2 demonstrate that perception and immediate memory for the slope of a test line within orthogonal 'axes' are predictable from purely structural considerations. In Experiments 3 and 4, subjects were instructed to use a diagonal-reference strategy in viewing the stimuli, which were described as 'graphs' only in Experiment 3. Results for both studies showed the diagonal bias previously found only for graphs. This pattern provides converging evidence for the diagonal as a cognitive reference frame in encoding linear graphs, and demonstrates that even in highly simplified displays, strategic factors can produce encoding biases not predictable solely from stimulus structure alone.

Schiano, Diane J.↗
NASA NTRS1998

A Graph Based Interface for Representing Volume Visualization Results

This paper discusses a graph based user interface for representing the results of the volume visualization process. As images are rendered, they are connected to other images in a graph based on their rendering parameters. The user can take advantage of the information in this graph to understand how certain rendering parameter changes affect a dataset, making the visualization process more efficient. Because the graph contains more information than is contained in an unstructured history of images, the image graph is also helpful for collaborative visualization and animation.

Patten, James M.↗
NASA NTRS2010

Decomposition Algorithm for Global Reachability on a Time-Varying Graph

A decomposition algorithm has been developed for global reachability analysis on a space-time grid. By exploiting the upper block-triangular structure, the planning problem is decomposed into smaller subproblems, which is much more scalable than the original approach. Recent studies have proposed the use of a hot-air (Montgolfier) balloon for possible exploration of Titan and Venus because these bodies have thick haze or cloud layers that limit the science return from an orbiter, and the atmospheres would provide enough buoyancy for balloons. One of the important questions that needs to be addressed is what surface locations the balloon can reach from an initial location, and how long it would take. This is referred to as the global reachability problem, where the paths from starting locations to all possible target locations must be computed. The balloon could be driven with its own actuation, but its actuation capability is fairly limited. It would be more efficient to take advantage of the wind field and ride the wind that is much stronger than what the actuator could produce. It is possible to pose the path planning problem as a graph search problem on a directed graph by discretizing the spacetime world and the vehicle actuation. The decomposition algorithm provides reachability analysis of a time-varying graph. Because the balloon only moves in the positive direction in time, the adjacency matrix of the graph can be represented with an upper block-triangular matrix, and this upper block-triangular structure can be exploited to decompose a large graph search problem. The new approach consumes a much smaller amount of memory, which also helps speed up the overall computation when the computing resource has a limited physical memory compared to the problem size.

Kuwata, Yoshiaki↗
NASA NTRS2011

Graph Theory Roots of Spatial Operators for Kinematics and Dynamics

Spatial operators have been used to analyze the dynamics of robotic multibody systems and to develop novel computational dynamics algorithms. Mass matrix factorization, inversion, diagonalization, and linearization are among several new insights obtained using such operators. While initially developed for serial rigid body manipulators, the spatial operators and the related mathematical analysis have been shown to extend very broadly including to tree and closed topology systems, to systems with flexible joints, links, etc. This work uses concepts from graph theory to explore the mathematical foundations of spatial operators. The goal is to study and characterize the properties of the spatial operators at an abstract level so that they can be applied to a broader range of dynamics problems. The rich mathematical properties of the kinematics and dynamics of robotic multibody systems has been an area of strong research interest for several decades. These properties are important to understand the inherent physical behavior of systems, for stability and control analysis, for the development of computational algorithms, and for model development of faithful models. Recurring patterns in spatial operators leads one to ask the more abstract question about the properties and characteristics of spatial operators that make them so broadly applicable. The idea is to step back from the specific application systems, and understand more deeply the generic requirements and properties of spatial operators, so that the insights and techniques are readily available across different kinematics and dynamics problems. In this work, techniques from graph theory were used to explore the abstract basis for the spatial operators. The close relationship between the mathematical properties of adjacency matrices for graphs and those of spatial operators and their kernels were established. The connections hold across very basic requirements on the system topology, the nature of the component bodies, the indexing schemes, etc. The relationship of the underlying structure is intimately connected with efficient, recursive computational algorithms. The results provide the foundational groundwork for a much broader look at the key problems in kinematics and dynamics. The properties of general graphs and trees of nodes and edge were examined, as well as the properties of adjacency matrices that are used to describe graph connectivity. The nilpotency property of such matrices for directed trees was reviewed, and the adjacency matrices were generalized to the notion of block weighted adjacency matrices that support block matrix elements. This leads us to the development of the notion of Spatial Kernel Operator SKO kernels. These kernels provide the basis for the development of SKO resolvent operators.

Jain, Abhinandan↗
NASA NTRS2022

Directed Acyclic Graphs: A Tool for Understanding the NASA Human Spaceflight System Risks - Human System Risk Board

For over a decade, the National Aeronautics and Space Administration (NASA) has tracked and configuration-managed approximately 30 risks to astronaut health and performance that occur before, during and after spaceflight. The Human System Risk Board (HSRB), a Health and Medical Technical Authority (HMTA) Board at NASA Johnson Space Center, is the entity responsible for identifying, assessing, analyzing, and monitoring the official understanding of the risk or risk posture for each of the Human System Risks and determining – based on evaluation of the available evidence – when that risk posture changes. The ultimate purpose of tracking and researching these risks is to find ways to reduce the risk that astronaut crews face during spaceflight. Historically, research, development and operations relevant to one risk have been conducted in isolation from other risks; these individual risk ‘silos’ enabled initial characterization of each specific risk. In spaceflight however, the impact of exposure to risk for astronaut crews is cumulative, and not independent of exposures or other risks, as all the adverse effects of the spaceflight environment begin at launch, continue throughout the duration of the mission and in some cases across the lifetime of the crews. In January of 2020, the HSRB at NASA embarked on a pilot project designed to assess the potential value of causal diagramming as a tool to facilitate understanding of these cumulative and interdependent effects as applied within Human System Risk management. This process uses directed acyclic graphs as a means of formalizing a shared mental model of the causal flow of risk among Risk Board stakeholders. Initially this model was to improve communication among those stakeholders, but the potential value exceeds communication alone. The causal diagrams are formulated as directed acyclic graphs (DAGs) to function as a type of knowledge graph for reference for the board and its stakeholders. This document is a sister document to NASA/TM 20220006812 Directed Acyclic Graph Guidance Documentation (1). In that document, the basic guidance for creating and standardizing directed acyclic graphs as tools for cross-risk analysis is provided. This document contains the initial configuration managed DAGs that were created as a result of applying those principles. These initial versions were accepted by the HSRB in January of 2022. Each of the Human System Risks are represented by a DAG that has been reviewed by the larger Human Health and Performance community at NASA including life scientists, physical scientists, physicians, nurses, pharmacists, exercise specialists and more. These results show the starting point for Human System Risk DAGs as shared mental models and communication aids across the boundaries of the various expertise needed to understand and mitigate the human risks in spaceflight. Because they are a starting point, each of these DAGs can be expected to change over time as new or refined evidence becomes available. The process for updating these DAGs can be found in the JSC-66705 Human System Risk Management Plan (2) that is publicly available on the NASA Technical Reports Server.

Erik L. Antonsen↗
DOE OSTI2020

Data-Driven Template Discovery Using Graph Convolutional Neural Networks

Modeling adversarial activities is a critical component of developing high-con?dence indicators of efforts to acquire, fabricate, proliferate, and/or deploy weapons of mass terror (WMTs). Current approaches to generating representative patterns of interest (a.k.a templates) from the real-world domains involve a Subject Matter Expert (SME)-guided manual process. The goal of Data-Driven Template Discovery (DDTD) is to use a (potentially small) set of SME generated templates to discover other previously unknown and interesting templates in an attributed graph. A template is an activity pattern describing a set of interactions among a group of nodes in the graph. The motivation behind DDTD is to expand the original set of templates, without having SMEs craft all the templates by hand. DDTD also provides seed templates to SMEs, to help them construct larger, high-?delity, and scenario-oriented templates. In these cases, obtaining a larger set of templates that are related (contain similar signals) to the original set is of great value. In this work, we propose to use Graph Convolutional Neural Networks (GCNs) to discover new templates that are heavily related to the original set. GCNs are a family of Neural Network (NN) architectures especially designed to work directly on graphs. In contrast to the traditional NNs, that require considerable amounts of labeled data, GCNs do not require a big labeled training set because they can directly leverage the graph structure instead. This property makes GCNs the perfect tool for creating activity templates.

Joaristi, Mikel↗
DOE OSTI2024

Predicting Geologic Behavior in Carbon Storage Projects Using Graph Neural Network

This study was invited to presented at NVIDIA's GTC conference to highlight the potential of Graph Neural Network as a novel and promising methodology for predicting pressure and saturation evolution in carbon storage projects. Carbon capture and storage (CCS) technology plays a pivotal role in mitigating greenhouse gas emissions, facilitating the transition to a low-carbon future. Effective management of subsurface reservoirs is essential to ensure the safe and efficient storage of captured carbon dioxide (CO₂). Accurate predictions of pressure and saturation over time are critical for evaluating the long-term performance and integrity of CCS projects. In recent years, Graph Neural Network (GNN) has emerged as a powerful framework for analyzing complex data in graph-structured domains. This abstract explores the application of GNN to forecast pressure and saturation evolution in carbon storage projects. Traditional numerical simulations of subsurface reservoirs have proven successful in providing pressure and saturation forecasts. However, these simulations involve massive amounts of computational effort and require extensive domain expertise for proper model calibration and validation. Graph Neural Operator offers an alternative approach that harnesses the inherent graph structure of reservoirs, where nodes represent reservoir grid cells and edges represent the geological connectivity between them.

Shih, Chung Yan↗
DOE OSTI2024

Comparing Interaction Graphs on Cascading Outages under Different Loading Conditions

Interaction graphs on cascading outages of power systems provide valuable insights into how cascading outages evolve and propagate, and which components and links are critical to the propagation of cascading outages, enabling further development of mitigation strategies to support decision-making. However, the sensitivity of the interaction graph’s topology to the system’s loading condition has not been studied sufficiently. This paper compared interaction graphs under various loading conditions on the Northeastern Power Coordinating Council 140-bus system, and discovers the strong relationships between the graph topology, the cascade size distribution, and the load condition. Accordingly, three representative interaction graphs are constructed and illustrated.

Guo, Zhenping↗
DOE OSTI2024

Analysis and Mitigation of Cascading Outages Using an Interaction Graph Addressing Transient Stability

Cascading outages of power systems pose great threats to system security and reliability, potentially leading to large-scale blackouts. For analysis and mitigation of cascading outages, this paper proposes a transient stability-incorporated interaction graph. This graph statistically quantifies the interactions among line outages and instabilities of generators, which can model propagation paths and patterns of cascading outages. Compared with an interaction graph that only models line outages, this new interaction graph provides important insights on how transient instability occurs along with cascading outages. It also offers more effective strategies for mitigating outage propagation. The proposed interaction graph can be constructed from datasets of historical or simulated cascading events. It is demonstrated on an NPCC 140-bus system with mitigation strategies.

Guo, Zhenping↗