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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 55 records · Page 3
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Towards Sheaf Theoretic Analyses for Delay Tolerant Networking

The goal of Delay Tolerant Networking (DTN) is to take a collection of heterogeneous, disparate connections between satellites, space assets, ground stations, and ground infrastructure and bring it together into a cohesive, functioning overlay network. Depending on the systems being considered, one can find links with a one-way light time exceeding minutes (and hours),periodic links which can sometimes be predicted by orbital mechanics, and restrictions based on the variety of capabilities built into these systems. These characteristics preclude traditional network models and routing techniques and have classically led to either rigid routing tables or purely probabilistic models. As the deeper underlying structures remain unknown, development of more DTN-optimized algorithms has lacked the necessary foundation. In a continuation of previous work, the goal of this paper is to identify and study these fundamental structures that exist in delay tolerant networks (DTN), with a focus on space networks. The current routing methodology has been to use contact graph routing (CGR) algorithms. CGR models a series of known contacts as a static graph. For CGR to work, this graph must be globally consistent and must have an accurate picture of the network. Because this is a globally controlled structure, there is little room for flexibility in the event of changes to the network which would naturally occur as the network grows. As a response to the desire for flexibility as the network changes, we introduced the mathematical structure known as sheaves to DTNs last year. The tag-line for sheaves is that they are a mathematically precise way of gluing local data together into unique global data. Thus, sheaves lend extra power to traditional models(and routing algorithms) by taking additional information and merging it, in as consistent a manner as possible, with the representation itself. The clearest example of how Earth-bound networks exhibit behavior that is “sheafy” is link state routers, which build a local-to-global picture of their network by gluing local information together into a global network, exactly as a sheaf would do. For routing within delay tolerant networks to truly exploit this structure, a deeper structure than a graph is required. In this paper, we develop sheaves that can work over directed graphs such as temporal flow networks, we construct a sheaf representation for Dijkstra’s algorithm, and we outline a construction for routing sheaves capable of modeling multicast scenarios. Finally, there is a section of future work suggesting follow-on research.

Robert Short↗
NASA NTRS1992

A VLSI decomposition of the deBruijn graph

The nth order deBruijn graph Bn is the state diagram for an n-stage binary shift register. It is a directed graph with 2 to the n vertices, each labeled with an n-bit binary string, and 2 to the n+1 edges, each labeled with an (n+1)-bit binary string. It is shown that Bn can be built by appropriately connecting together with extra edges many isomorphic copies of a fixed graph, which is called a building block for Bn. The efficiency of such a building block is refined as the fraction of the edges of Bn which are present in the copies of the building block. It is then shown that for any alpha less than 1, there exists a graph which is a building block for Bn of efficiency greater than alpha for all sufficiently large n. The results are illustrated by showing how a special hierarchical family of building blocks has been used to construct a very large Viterbi decoder which will be used on the Galileo mission.

Collins, Oliver↗
DOE OSTI2020

FeederGAN: Synthetic Feeder Generation via Deep Graph Adversarial Nets

This paper presents a novel, automated, generative adversarial networks (GAN) based synthetic feeder generation mechanism, abbreviated as FeederGAN. FeederGAN digests real feeder models represented by directed graphs via a deep learning framework powered by GAN and graph convolutional networks (GCN). Information of a distribution feeder circuit is extracted from its model input files so that the device connectivity is mapped onto the adjacency matrix and the device characteristics, such as circuit types (i.e., 3-phase, 2-phase, and 1-phase) and component attributes (e.g., length and current ratings), are mapped onto the attribute matrix. Then, Wasserstein distance is used to optimize the GAN and GCN is used to discriminate the generated graphs from the actual ones. A greedy method based on graph theory is developed to reconstruct the feeder using the generated adjacency and attribute matrices. Furthermore, our results show that the GAN generated feeders resemble the actual feeder in both topology and attributes verified by visual inspection and by empirical statistics obtained from actual distribution feeders.

42 ENGINEERING↗
DOE OSTI2026

Knowledge-guided graph machine learning for spatially distributed prediction of daily discharge and nitrogen export dynamics

Spatially distributed prediction of streamflow and nitrogen export dynamics is essential for precision management of agricultural watersheds. While temporal deep learning models such as Long Short-Term Memory (LSTM) have shown strong performance at basin scales, their ability to generalize spatially is limited by insufficient representation of spatial dependencies and flow paths, particularly under data-scarce conditions. To address this gap, we propose HydroGraphNet, a knowledge-guided graph machine learning framework that integrates process-based knowledge and explicit spatial learning into temporal modeling. This framework incorporates directed graph topology to encode watershed connectivity and upstream inflows, with mass balance constraints to improve physical consistency. To enhance generalization in sparsely monitored regions, HydroGraphNet is pretrained on synthetic data generated by the SWAT+ (Soil and Water Assessment Tool Plus) model. We evaluated HydroGraphNet in the Upper Sangamon River Basin (44 HUC-12 subwatersheds, 2001–2020) against two LSTM baselines: a lumped basin-level model and a distributed variant. When benchmarked on SWAT+ simulations in pretraining, HydroGraphNet improved test NSEs by 8.9% (discharge) and 13.7% (NO₃–N load) in temporal extrapolation, and by 27.1% and 34.7% in spatial extrapolation, relative to the Lumped LSTM baseline. After fine-tuning with USGS monitoring data, the model achieved mean test NSE (KGE) scores of 0.768 (0.861) for discharge and 0.626 (0.664) for NO₃–N load, substantially outperforming baselines. Attribution analysis further highlighted the importance of upstream inflow representation and graph-based spatial learning in capturing cross-subwatershed dependencies. The model also reproduced seasonal hydrological and biogeochemical patterns consistent with known processes, demonstrating its robustness and process fidelity for spatially distributed prediction. Altogether, HydroGraphNet advances the integration of physical knowledge and spatially explicit learning in hydrological modeling, offering a generalizable framework for distributed modeling to support spatially targeted water quality management in data-scarce watersheds.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Program Models Propagation Of Failures

FIRM is software tool for identification of failure and management of risk based on directed-graph ("digraph") approach. Three core algorithms optimized for processing singletons and doubletons and also handle tripletons. FIRM identifies loops in digraphs and displays direct failure paths between any two nodes. Solves for reachability for given node without computing reachability for entire digraph. Represents hybrid between schematic-diagram and fault-tree approaches. Written in C.

Hackler, Donald B.↗
DOE OSTI2024

Contradictory Ambiguous Revocable Assertion Tracker (CARAT) Encoding

How data is encoded in a knowledge graph directly influences what can be done with that data. A common problem with many encodings is that they have difficulty representing ambiguity and evolution inherent in many real-world data sets. The data encoding represented in this paper (called CARAT) is a graph-level description of our attempt to capture data that is contradictory, ambiguous and evolves over time (including deleting information). The data encoding relies on tracking assertions about subjects rather than directly tracking states. This encoding decision resolves many issues our team had experienced using other data encodings but produces a a larger graph. This is a preliminary presentation of our experience with CARAT.

Cottam, Joseph A. [BATTELLE (PACIFIC NW LAB)]↗
DOE OSTI2024

A Mass‐Conserving‐Perceptron for Machine‐Learning‐Based Modeling of Geoscientific Systems

Although decades of effort have been devoted to building Physical-Conceptual (PC) models for predicting the time-series evolution of geoscientific systems, recent work shows that Machine Learning (ML) based Gated Recurrent Neural Network technology can be used to develop models that are much more accurate. However, the difficulty of extracting physical understanding from ML-based models complicates their utility for enhancing scientific knowledge regarding system structure and function. Here, we propose a physically interpretable Mass-Conserving-Perceptron (MCP) as a way to bridge the gap between PC-based and ML-based modeling approaches. The MCP exploits the inherent isomorphism between the directed graph structures underlying both PC models and GRNNs to explicitly represent the mass-conserving nature of physical processes while enabling the functional nature of such processes to be directly learned (in an interpretable manner) from available data using off-the-shelf ML technology. As a proof of concept, we investigate the functional expressivity (capacity) of the MCP, explore its ability to parsimoniously represent the rainfall-runoff (RR) dynamics of the Leaf River Basin, and demonstrate its utility for scientific hypothesis testing. To conclude, we discuss extensions of the concept to enable ML-based physical-conceptual representation of the coupled nature of mass-energy-information flows through geoscientific systems.

58 GEOSCIENCES↗
NASA NTRS1997

Sequential Testing Algorithms for Multiple Fault Diagnosis

In this paper, we consider the problem of constructing optimal and near-optimal test sequencing algorithms for multiple fault diagnosis. The computational complexity of solving the optimal multiple-fault isolation problem is super-exponential, that is, it is much more difficult than the single-fault isolation problem, which, by itself, is NP-hard. By employing concepts from information theory and AND/OR graph search, we present several test sequencing algorithms for the multiple fault isolation problem. These algorithms provide a trade-off between the degree of suboptimality and computational complexity. Furthermore, we present novel diagnostic strategies that generate a diagnostic directed graph (digraph), instead of a diagnostic tree, for multiple fault diagnosis. Using this approach, the storage complexity of the overall diagnostic strategy reduces substantially. The algorithms developed herein have been successfully applied to several real-world systems. Computational results indicate that the size of a multiple fault strategy is strictly related to the structure of the system.

Shakeri, Mojdeh↗
DOE OSTI2021

Visual Understanding of COVID-19 Knowledge Graph for Predictive Analysis

This study aims to effectively analyze and visualize the concept to concept network derived from the COVID-19 Open Research Dataset (CORD-19) dataset, where we have more than 48,000 concepts with more than 300,000 relationships between concepts. In analyzing networks, we focus on finding relationship patterns between the coronavirus disease 2019 (COVID-19) concepts and other concepts. Given the node and edge datasets, we construct directional graphs and calculate all pair shortest paths based on multiple edge weight schemes. However, statistical metrics are not sufficient to identify specific relationships represented in the network. Therefore, we also propose a visual analytics approach to effectively understand the knowledge graph. Our highly interactive visual analytics allows users to effectively analyze the evolving graphs and (COVID-19) concept nodes and other nodes related to the COVID-19 nodes. We envision that this study will pave the path to develop strategies to provide more accurate and scalable predictive analysis on knowledge graphs related to CORD19 and other biomedical knowledge graphs.

Lim, Seung-Hwan↗
DOE OSTI2021

Towards data-driven constitutive modelling for granular materials via micromechanics-informed deep learning

The analytical description of path-dependent elastic-plastic responses of a granular system is highly complicated because of continuously evolving microstructures and strain localisation within the system undergoing deformation. This study offers an alternative to the current analytical paradigm by developing micromechanics-informed machine-learning based constitutive modelling approaches for granular materials. A set of critical variables associated with the constitutive behaviour of granular materials are identified through an incremental stress-strain relationship analysis. Depending on the strategy to exploit the priori micromechanical knowledge, three different training strategies are explored. The first model uses only the measurable external variables to make stress predictions; the second model utilises a directed graph to link all the external strain sequences and internal microstructural evolution variables into a single prediction model comprised of a series of sub-mappings, and the third model explicitly integrates the physically important non-temporal properties with external strain paths into training through an enhanced Gated Recurrent Unit (GRU). These three models show satisfactory agreement with unseen test specimens based on multi-directional loading cases. The basic features and potential applications of each model are explained. Lastly, the key factors for constitutive training and limitations of the current work are also discussed in detail.

36 MATERIALS SCIENCE↗
NASA NTRS2009

Hardware Implementation of Serially Concatenated PPM Decoder

A prototype decoder for a serially concatenated pulse position modulation (SCPPM) code has been implemented in a field-programmable gate array (FPGA). At the time of this reporting, this is the first known hardware SCPPM decoder. The SCPPM coding scheme, conceived for free-space optical communications with both deep-space and terrestrial applications in mind, is an improvement of several dB over the conventional Reed-Solomon PPM scheme. The design of the FPGA SCPPM decoder is based on a turbo decoding algorithm that requires relatively low computational complexity while delivering error-rate performance within approximately 1 dB of channel capacity. The SCPPM encoder consists of an outer convolutional encoder, an interleaver, an accumulator, and an inner modulation encoder (more precisely, a mapping of bits to PPM symbols). Each code is describable by a trellis (a finite directed graph). The SCPPM decoder consists of an inner soft-in-soft-out (SISO) module, a de-interleaver, an outer SISO module, and an interleaver connected in a loop (see figure). Each SISO module applies the Bahl-Cocke-Jelinek-Raviv (BCJR) algorithm to compute a-posteriori bit log-likelihood ratios (LLRs) from apriori LLRs by traversing the code trellis in forward and backward directions. The SISO modules iteratively refine the LLRs by passing the estimates between one another much like the working of a turbine engine. Extrinsic information (the difference between the a-posteriori and a-priori LLRs) is exchanged rather than the a-posteriori LLRs to minimize undesired feedback. All computations are performed in the logarithmic domain, wherein multiplications are translated into additions, thereby reducing complexity and sensitivity to fixed-point implementation roundoff errors. To lower the required memory for storing channel likelihood data and the amounts of data transfer between the decoder and the receiver, one can discard the majority of channel likelihoods, using only the remainder in operation of the decoder. This is accomplished in the receiver by transmitting only a subset consisting of the likelihoods that correspond to time slots containing the largest numbers of observed photons during each PPM symbol period. The assumed number of observed photons in the remaining time slots is set to the mean of a noise slot. In low background noise, the selection of a small subset in this manner results in only negligible loss. Other features of the decoder design to reduce complexity and increase speed include (1) quantization of metrics in an efficient procedure chosen to incur no more than a small performance loss and (2) the use of the max-star function that allows sum of exponentials to be computed by simple operations that involve only an addition, a subtraction, and a table lookup. Another prominent feature of the design is a provision for access to interleaver and de-interleaver memory in a single clock cycle, eliminating the multiple clock-cycle latency characteristic of prior interleaver and de-interleaver designs.

Moision, Bruce↗
NASA NTRS1989

Generation of precedence relations for mechanical assemblies

Planning of assembly sequences is essential to the manufacturing system design process. Several methodologies have been proposed to represent all the feasible assembly sequences. In this thesis, three algorithms are presented to generate three sets of precedence relations based on all the infeasible assembly tasks, all the infeasible assembly states, and all the feasible assembly sequences, respectively. The equivalence of the resulting sets of precedence relations to the AND/OR graph is established. A new property, the real time property, of a representation of assembly sequences is defined and discussed. A representation of assembly sequences is said to have the real time property, if it is possible to generate the next assembly task by testing locally in the representation, and it will guarantee that the generated assembly task will not lead the assembly sequence to a dead end situation, in which no feasible assembly task can be performed any more. It is shown that the correctness and completeness of one representation can not guarantee the real time property of the representation. It is proven that the directed graph representation and the set of precedence relations based on all the infeasible assembly states have the real time property, while the AND/OR graph representation and the set of precedence relations based on all the infeasible assembly tasks do not have the real time property. Finally in the thesis, the PLEIDEAS system, a PLanning Environment for Integrated DEsign of Assembly Systems, is described and illustrated by an example.

Zhang, Hui↗
DOE OSTI2025

Bounce-averaged theory in arbitrary multi-well plasmas: solution domains and the graph structure of their connections

Bounce-averaged theories provide a framework for simulating relatively slow processes, such as collisional transport and quasilinear diffusion, by averaging these processes over the fast periodic motions of a particle on a closed orbit. This procedure dramatically increases the characteristic time scale and reduces the dimensionality of the modelled system. The natural coordinates for such calculations are the constants of motion (COM) of the fast particle motion, which by definition do not change during an orbit. However, for sufficiently complicated fields – particularly in the presence of local maxima of the electric potential and magnetic field – the COM are not sufficient to specify the particle trajectory. In such cases, multiple domains in COM space must be used to solve the problem, with boundary conditions enforced between the domains to ensure continuity and particle conservation. Previously, these domains have been imposed by hand, or by recognising local maxima in the fields, limiting the flexibility of bounce-averaged simulations. Here, we present a general set of conditions for identifying consistent domains and the boundary condition connections between the domains, allowing the application of bounce-averaged theories in arbitrarily complicated and dynamically evolving electromagnetic field geometries. We also show how the connections between the domains can be represented by a directed graph, which can help to succinctly represent the trajectory bifurcation structure.

fusion plasma↗
DOE OSTI2025

Adaptive continuity-preserving simplification of street networks

Street network data is widely used to study human-based activities and urban structure. Often, these data are geared towards transportation applications, which require highly granular, directed graphs that capture the complex relationships of potential traffic patterns. While this level of network detail is critical for certain fine-grained mobility models, it represents a hindrance for studies concerned with the morphology of the street network. For the latter case, street network simplification — the process of converting a highly granular input network into its most simple morphological form — is a necessary, but highly tedious preprocessing step, especially when conducted manually. In this manuscript, we develop and present a novel adaptive algorithm for simplifying street networks that is both fully automated and able to mimic results obtained through a manual simplification routine. The algorithm — available in the neatnet Python package — outperforms current state-of-the-art procedures when comparing those methods to manually, human-simplified data, while preserving network continuity.

Python↗
DOE OSTI2022

Exact Coherent Structures and Phase Space Geometry of Preturbulent 2D Active Nematic Channel Flow

Confined active nematics exhibit rich dynamical behavior, including spontaneous flows, periodic defect dynamics, and chaotic “active turbulence.” Here, we study these phenomena using the framework of exact coherent structures, which has been successful in characterizing the routes to high Reynolds number turbulence of passive fluids. Exact coherent structures are stationary, periodic, quasiperiodic, or traveling wave solutions of the hydrodynamic equations that, together with their invariant manifolds, serve as an organizing template of the dynamics. We compute the dominant exact coherent structures and connecting orbits in a preturbulent active nematic channel flow, which enables a fully nonlinear but highly reduced-order description in terms of a directed graph. Using this reduced representation, we compute instantaneous perturbations that switch the system between disparate spatiotemporal states occupying distant regions of the infinite-dimensional phase space. Overall, our results lay the groundwork for a systematic means of understanding and controlling active nematic flows in the moderate- to high-activity regime.

36 MATERIALS SCIENCE↗
DOE OSTI2023

AMORE-Isoprene v1.0: a new reduced mechanism for gas-phase isoprene oxidation

Abstract. Gas-phase oxidation of isoprene by ozone (O3) and the hydroxyl (OH) and nitrate (NO3) radicals significantly impacts tropospheric oxidant levels and secondary organic aerosol formation. The most comprehensive and up-to-date chemical mechanism for isoprene oxidation consists of several hundred species and over 800 reactions. Therefore, the computational expense of including the entire mechanism in large-scale atmospheric chemical transport models is usually prohibitive, and most models employ reduced isoprene mechanisms ranging in size from ∼ 10 to ∼ 200 species. We have developed a new reduced isoprene oxidation mechanism using a directed-graph path-based automated model reduction approach, with minimal manual adjustment of the output mechanism. The approach takes as inputs a full isoprene oxidation mechanism, the environmental parameter space, and a list of priority species which are protected from elimination during the reduction process. Our reduced mechanism, AMORE-Isoprene (where AMORE stands for Automated Model Reduction), consists of 12 species which are unique to the isoprene mechanism as well as 22 reactions. We demonstrate its performance in a box model in comparison with experimental data from the literature and other current isoprene oxidation mechanisms. AMORE-Isoprene's performance with respect to predicting the time evolution of isoprene oxidation products, including isoprene epoxydiols (IEPOX) and formaldehyde, is favorable compared with other similarly sized mechanisms. When AMORE-Isoprene is included in the Community Regional Atmospheric Chemistry Multiphase Mechanism 1.0 (CRACMM1AMORE) in the Community Multiscale Air Quality Model (CMAQ, v5.3.3), O3 and formaldehyde agreement with Environmental Protection Agency (EPA) Air Quality System observations is improved. O3 bias is reduced by 3.4 ppb under daytime conditions for O3 concentrations over 50 ppb. Formaldehyde bias is reduced by 0.26 ppb on average for all formaldehyde measurements compared with the base CRACMM1. There was no significant change in computation time between CRACMM1AMORE and the base CRACMM. AMORE-Isoprene shows a 35 % improvement in agreement between simulated IEPOX concentrations and chamber data over the base CRACMM1 mechanism when compared in the Framework for 0-D Atmospheric Modeling (F0AM) box model framework. This work demonstrates a new highly reduced isoprene mechanism and shows the potential value of automated model reduction for complex reaction systems.

58 GEOSCIENCES↗
DOE OSTI2021

Algebraic Algorithms for Betweenness and Percolation Centrality

Abstract In this paper, we explored different ways to write the algebraic version of betweenness centrality algorithm. Particularly, we focused on Brandes' algorithm. We aimed for algebraic betweenness centrality that can be parallelized easily. We proposed 3-tuple geodetic semiring as an extension to the usual geodetic semiring with 2-tuples. Using the 3-tuple geodetic semiring, Dijkstra's and Brandes' algorithm, we wrote more concise and general algebraic betweenness centrality (ABC) algorithm which is valid for weighted and directed graphs. We also proposed an alternative version of ABC using the usual geodetic semiring with 2-tuple where we used a simple way to construct shortest path tree after computing shortest path distances in the usual geodetic semiring. This allows us to avoid computational complexity of ABC implementation using 3-tuple geodetic semiring. We used numba to optimize and parallelize ABC. We evaluated the performance of ABC using 2-tuple geodetic semiring as compared to NetworkX, a common python package for graph algorithms. We did scalability experiments on parallel ABC and showed its total speedup. We also showed that with small modification, ABC can be adapted to algebraicly compute other centrality measures such as percolation centrality.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

Properties of heuristic search strategies

A directed graph is used to model the search space of a state space representation with single input operators, an AND/OR is used for problem reduction representations, and a theorem proving graph is used for state space representations with multiple input operators. These three graph models and heuristic strategies for searching them are surveyed. The completeness, admissibility, and optimality properties of search strategies which use the evaluation function f = (1 - omega)g = omega(h) are presented and interpreted using a representation of the search process in the plane. The use of multiple output operators to imply dependent successors, and thus obtain a formalism which includes all three types of representations, is discussed.

Vanderbrug, G. J.↗