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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 OSTI2016

Constellation: A science graph network for scalable data and knowledge discovery in extreme-scale scientific collaborations

Constellation's overarching goal is the federation of information from resources within an extreme-scale scientific collaboration to enable the scalable discovery of data and new knowledge pathways. The resource fabric is comprised of petascale supercomputers and storage systems, users, jobs, datasets and lifecycle artifacts. For an extreme-scale supercomputing center, normal operations can generate hundreds of millions of data products and metadata entries describing the resource fabric. Constellation federates the information extracted from the resources using a custom, transformative science graph network; constructs rich metadata indexes and higher-order derived metadata from the extracted information; and conducts scalable graph analytics to unravel hidden data pathways. Our implementation and deployment for a production, supercomputing facility shows that the graph can scale to more than 750 million vertices, its domain agnostic indexing can answer interesting science queries, and its analytics can aid in structural, topological and temporal analysis to identify usage hotspots.

Vazhkudai, Sudharshan S.↗
DOE OSTI2019

Information Extraction from Cancer Pathology Reports with Graph Convolution Networks for Natural Language Texts

Graph-of-words is a flexible and efficient text representation which addresses well-known challenges, such as word ordering and variation of expressions, to natural language processing. In this paper, we consider the latest graph-based convolutional neural network technique, the Text Graph Convolutional Network (Text GCN), in the context of performing classification tasks on free-form natural language texts. To do this, we designed a study of multi-task information extraction from medical text documents. We implemented multi-task learning in the Text GCN, performed hyperparameter optimization, and measured the clinical task performances. We evaluated micro and macro-F1 scores of four information extraction tasks, including subsite, laterality, behavior, and histological grades from cancer pathology reports. The scores for the Text GCN significantly outperformed our previous studies with convolutional neural networks, suggesting that the Text GCN model is superior to traditional models in task performance.

Yoon, Hong-Jun↗
DOE OSTI2017

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

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

Choi, Jong Youl↗
DOE OSTI2014

Scaling Graph Community Detection on the Tilera Many-core Architecture

In an era when power constraints and data movement are proving to be significant barriers for the application of high-end computing, the Tilera many-core architecture offers a low-power platform exhibiting many important characteristics of future systems, including a large number of simple cores, a sophisticated network-on-chip, and fine-grained control over memory and caching policies. While this emerging architecture has been previously studied for structured compute-intensive kernels, benchmarking the platform for data-bound, irregular applications present significant challenges that have remained unexplored. Community detection is an advanced prototypical graph-theoretic operation with applications in numerous scientific domains including life sciences, cyber security, and power systems. In this work, we explore multiple design strategies toward developing a scalable tool for community detection on the Tilera platform. Using several memory layout and work scheduling techniques we demonstrate speedups of up to 46x on 36 cores of the Tilera TileGX36 platform over the best serial implementation, and also show results that have comparable quality and performance to mainstream x86 platforms. To the best of our knowledge this is the first work addressing graph algorithms on the Tilera platform. This study demonstrates that through careful design space exploration, low-power many-core platforms like Tilera can be effectively exploited for graph algorithms that that embody all the essential characteristics of an irregular application.

community detection↗
DOE OSTI2017

NOUS: Construction and Querying of Dynamic Knowledge Graphs

The ability to construct domain specific knowledge graphs (KG) and perform question-answering or hypothesis generation is a trans- formative capability. Despite their value, automated construction of knowledge graphs remains an expensive technical challenge that is beyond the reach for most enterprises and academic institutions. We propose an end-to-end framework for developing custom knowl- edge graph driven analytics for arbitrary application domains. The uniqueness of our system lies A) in its combination of curated KGs along with knowledge extracted from unstructured text, B) support for advanced trending and explanatory questions on a dynamic KG, and C) the ability to answer queries where the answer is embedded across multiple data sources.

Choudhury, Sutanay↗
DOE OSTI2013

Graph Analytics for Signature Discovery

Within large amounts of seemingly unstructured data it can be diffcult to find signatures of events. In our work we transform unstructured data into a graph representation. By doing this we expose underlying structure in the data and can take advantage of existing graph analytics capabilities, as well as develop new capabilities. Currently we focus on applications in cybersecurity and communication domains. Within cybersecurity we aim to find signatures for perpetrators using the pass-the-hash attack, and in communications we look for emails or phone calls going up or down a chain of command. In both of these areas, and in many others, the signature we look for is a path with certain temporal properties. In this paper we discuss our methodology for finding these temporal paths within large graphs.

Signature Science↗
DOE OSTI2025

Graph-Based Attention Mechanisms for Solving the AC Optimal Power Flow Problem in Electrical Power Networks

With the increasing complexity and data availability in modern power systems, learning-based approaches to AC Optimal Power Flow (AC OPF) have garnered significant attention. In particular, the structure of smart grids lends itself naturally to graph-based representations, where Graph Neural Networks (GNNs) can capture spatial and relational dependencies. This paper investigates attention-based GNN architectures tailored to heterogeneous graph representations of electric grids. We evaluate two major paradigms: relational attention, which distinguishes between edge types during message passing, and meta-path attention, which captures high-level semantics through multi-hop, typed paths. Using a large corpus of public AC OPF scenarios, we benchmark representative models of each type of attention. Our results demonstrate the benefits of heterogeneous attention-based models in accurately capturing grid dynamics; heterogeneous attention models achieve superior performance in both standard and perturbed settings. The findings highlight the importance of semantic-aware architectures for improving prediction robustness and interpretability in power system applications.

Trigui, Ali [Qubit Engineering Inc.]↗
DOE OSTI2019

A Synchronization-Avoiding Distance-1 Grundy Coloring Algorithm for Power-Law Graphs

In this paper, we propose a distributed, unordered, label-correcting distance-1 Grundy (vertex) coloring algorithm, namely, Distributed Control (DC) coloring algorithm. Our algorithm eliminates the need for vertex-centric barriers and global synchronization for color refinement, relying only on atomic operations and local termination detection to update vertex color. DC proceeds optimistically, correcting the colors asynchronously as the algorithm progresses and depends on local ordering of tasks to minimize the execution of sub-optimal work. We implement our DC coloring algorithm and the well-known Jones-Plassmann algorithm and compare their performance with 4 different types of standard RMAT graphs and real-world graphs. We show that the elimination of waiting time of global and vertex-centric barriers and investing this time for local ordering leads to improved scaling for graphs with prominent power-law characteristics and densely interconnected local subgraphs.

Firoz, Jesun S.↗
DOE OSTI2022

Exaflops Biomedical Knowledge Graph Analytics

We are motivated by newly proposed methods for mining large-scale corpora of scholarly publications (e.g., full biomedical literature), which consists of tens of millions of papers spanning decades of research. In this setting, analysts seek to discover relationships among concepts. They construct graph representations from annotated text databases and then formulate the relationship-mining problem as an all-pairs shortest paths (APSP) and validate connective paths against curated biomedical knowledge graphs (e.g., Spoke). In this context, we present Coast (Exascale Communication-Optimized All-Pairs Shortest Path) and demonstrate 1.004 EF/s on 9,200 Frontier nodes (73,600 GCDs). We develop hyperbolic performance models (HYPERMOD), which guide optimizations and parametric tuning. The proposed Coast algorithm achieved the memory constant parallel efficiency of 99% in the single-precision tropical semiring. Looking forward, Coast will enable the integration of scholarly corpora like PubMed into the Spoke biomedical knowledge graph.

Kannan, Ramakrishnan {ramki}↗
DOE OSTI2021

Distributed State Estimation Over Time-Varying Graphs: Exploiting the Age-of-Information

Here, we study the problem of designing a distributed observer for an LTI system over a time-varying communication graph. The limited existing work on this topic imposes various restrictions either on the observation model or on the sequence of communication graphs. In contrast, we propose a single-time-scale distributed observer that works under mild assumptions. Specifically, our communication model only requires strong-connectivity to be preserved over non-overlapping, contiguous intervals that are even allowed to grow unbounded over time. We show that under suitable conditions that bound the growth of such intervals, joint observability is sufficient to track the state of any discrete-time LTI system exponentially fast, at any desired rate. We also develop a variant of our algorithm that is provably robust to worst-case adversarial attacks, provided the sequence of graphs is sufficiently connected over time. The key to our approach is the notion of a "freshness-index" that keeps track of the age-of-information being diffused across the network. Such indices enable nodes to reject stale estimates of the state, and, in turn, contribute to stability of the error dynamics.

42 ENGINEERING↗
DOE OSTI2023

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↗
DOE OSTI2024

Multi-Agent Graph-Attention Deep Reinforcement Learning for Post-Contingency Grid Emergency Voltage Control

Grid emergency voltage control (GEVC) is paramount in electric power systems to improve voltage stability and prevent cascading outages and blackouts in case of contingencies. While most deep reinforcement learning (DRL)-based paradigms perform single agents in a static environment, real-world agents for GEVC are expected to cooperate in a dynamically shifting grid. Moreover, due to high uncertainties from combinatory natures of various contingencies and load consumption, along with the complexity of dynamic grid operation, the data efficiency and control performance of the existing DRL-based methods are challenged. To address these limitations, we propose a multi-agent graph-attention (GATT)-based DRL algorithm for GEVC in multi-area power systems. Here, we develop graph convolutional network (GCN)-based agents for feature representation of the graph-structured voltages to improve the decision accuracy in a data-efficient manner. Furthermore, a cutting-edge attention mechanism concentrates on effective information sharing among multiple agents, synergizing different-sized subnetworks in the grid for cooperative learning. We address several key challenges in the existing DRL-based GEVC approaches, including low scalability and poor stability against high uncertainties. Test results in the IEEE benchmark system verify the advantages of the proposed method over several recent multi-agent DRL-based algorithms.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Meta-Learning Enhanced Physics-Informed Graph Attention Convolutional Network for Distribution Power System State Estimation

Promptly perceiving distribution system states is challenged by frequent topology changes and uncertain power injections. To address these issues, a Meta-learning enhanced physics-informed graph attention convolutional network (Meta-PIGACN) model is proposed to handle topological variability in distribution system state estimation (DSSE). Specifically, physics information is integrated into the graph convolutional network, enabling a physics-informed edge-weighting process that incorporates physical information to control the aggregation of neighboring nodes. Besides, the graph attention mechanism automatically adjusts the importance of different neighboring nodes, allowing the capture and preservation of inherent system features across varying topologies, thereby improving state estimation accuracy. Furthermore, meta-learning is proposed to acquire empirical knowledge across multiple topologies so that the model can rapidly adapt to new configurations through iterative gradient descent updates even in large-scale systems. In conclusion, the simulation results based on the 33/118/1746-node distribution systems show the high accuracy and efficiency of the proposed model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Phase Transitions and a Model Order Selection Criterion for Spectral Graph Clustering

One of the longstanding open problems in spectral graph clustering (SGC) is the so-called model order selection problem: automated selection of the correct number of clusters. This is equivalent to the problem of finding the number of connected components or communities in an undirected graph. Here, we propose automated model order selection (AMOS), a solution to the SGC model selection problem under a random interconnection model (RIM) using a novel selection criterion that is based on an asymptotic phase transition analysis. AMOS can more generally be applied to discovering hidden block diagonal structure in symmetric non-negative matrices. Numerical experiments on simulated graphs validate the phase transition analysis, and real-world network data is used to validate the performance of the proposed model selection procedure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

ExTreeM: Scalable Augmented Merge Tree Computation via Extremum Graphs

Over the last decade merge trees have been proven to support a plethora of visualization and analysis tasks since they effectively abstract complex datasets. Here, this paper describes the ExTreeM-Algorithm: A scalable algorithm for the computation of merge trees via extremum graphs. The core idea of ExTreeM is to first derive the extremum graph G of an input scalar field f defined on a cell complex K, and subsequently compute the unaugmented merge tree of f on G instead of K; which are equivalent. Any merge tree algorithm can be carried out significantly faster on G, since K in general contains substantially more cells than G. To further speed up computation, ExTreeM includes a tailored procedure to derive merge trees of extremum graphs. The computation of the fully augmented merge tree, i.e., a merge tree domain segmentation of K, can then be performed in an optional post-processing step. All steps of ExTreeM consist of procedures with high parallel efficiency, and we provide a formal proof of its correctness. Our experiments, performed on publicly available datasets, report a speedup of up to one order of magnitude over the state-of-the-art algorithms included in the TTK and VTK-m software libraries, while also requiring significantly less memory and exhibiting excellent scaling behavior.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Structure Discovery in Large Semantic Graphs Using Extant Ontological Scaling and Descriptive Statistics

As semantic datasets grow to be very large and divergent, there is a need to identify and exploit their inherent semantic structure for discovery and optimization. Towards that end, we present here a novel methodology to identify the semantic structures inherent in an arbitrary semantic graph dataset. We first present the concept of an extant ontology as a statistical description of the semantic relations present amongst the typed entities modeled in the graph. This serves as a model of the underlying semantic structure to aid in discovery and visualization. We then describe a method of ontological scaling in which the ontology is employed as a hierarchical scaling filter to infer different resolution levels at which the graph structures are to be viewed or analyzed. We illustrate these methods on three large and publicly available semantic datasets containing more than one billion edges each. Keywords-Semantic Web; Visualization; Ontology; Multi-resolution Data Mining;

Multiresolution Data Mining↗
DOE OSTI2017

Visualizing the Uncertainty of Graph-based 2D Segmentation with Min-path Stability

Here, this paper presents a novel approach to visualize the uncertainty in graph-based segmentations of scalar data. Segmentation of 2D scalar data has wide application in a variety of scientific and medical domains. Typically, a segmentation is presented as a single unambiguous boundary although the solution is often uncertain due to noise or blur in the underlying data as well as imprecision in user input. Our approach provides insight into this uncertainty by computing the “min-path stability”, a scalar measure analyzing the stability of the segmentation given a set of input constraints. Our approach is efficient, easy to compute, and can be generally applied to either graph cuts or live-wire (even partial) segmentations. In addition to its general applicability, our new approach to graph cuts uncertainty visualization improves on the time complexity of the current state-of-the-art with an additional fast approximate solution. We also introduce a novel query enabled by our approach which provides users with alternate segmentations by efficiently extracting local minima of the segmentation optimization. Finally, we evaluate our approach and demonstrate its utility on data from scientific and medical applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

The use of atlas registration and graph cuts for prostate segmentation in magnetic resonance images

Purpose: An automatic method for 3D prostate segmentation in magnetic resonance (MR) images is presented for planning image-guided radiotherapy treatment of prostate cancer. Methods: A spatial prior based on intersubject atlas registration is combined with organ-specific intensity information in a graph cut segmentation framework. The segmentation is tested on 67 axial T{sub 2}-weighted MR images in a leave-one-out cross validation experiment and compared with both manual reference segmentations and with multiatlas-based segmentations using majority voting atlas fusion. The impact of atlas selection is investigated in both the traditional atlas-based segmentation and the new graph cut method that combines atlas and intensity information in order to improve the segmentation accuracy. Best results were achieved using the method that combines intensity information, shape information, and atlas selection in the graph cut framework. Results: A mean Dice similarity coefficient (DSC) of 0.88 and a mean surface distance (MSD) of 1.45 mm with respect to the manual delineation were achieved. Conclusions: This approaches the interobserver DSC of 0.90 and interobserver MSD 0f 1.15 mm and is comparable to other studies performing prostate segmentation in MR.

60 APPLIED LIFE SCIENCES↗