Search NASA⌕ Search

SEARCH · Search NASA

Results for “graph”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 577 records · Page 32

Distribution System Dataset Generator for AI Applications [SWR-24-75]

This software is a simple, light-weight python package to generate pytorch compatible machine learning graph dataset representing electric power distribution system. User is able to use these graph datasets to test their graph generation artificial intelligence (AI) models, link prediction AI models, graph classification AI models and so much more. This package uses grid-data-models (https://github.com/NREL-Distribution-Suites/grid-data-models) as input data format for power distribution system. NREL-Ditto (https://github.com/NREL-Distribution-Suites/ditto) tool can be leveraged to transform popular distribution system file formats such as opendss, cyme and synergi to grid-data-models.

Duwadi, Kapil↗

HydraGNN v4.0

The new version of HydraGNN v4.0 provides additional core capabilities, such as: Inclusion of multi-body atomistic cluster expansion MACE, polarizable atom interaction neural network PAINN, and equivariant principal neighborhood aggregation (PNAEq) among the message passing layers supported -Inclusion of graph transformers to directly model long-range interactions between nodes that are distant in the graph topology Integration of graph transformers with message passing layers by combining the graph embedding generated by the two mechanisms, which allows for an improved expressivity of the HydraGNN architecture Improved re-implementation of multi-task learning (MTL) to allow its use for stabilized training across imbalanced, multi-source, multi-fidelity data Introduction of multi-task parallelism, a newly proposed type of model parallelism specifically for MTL architectures, which allows to dispatch different output decoding heads to different GPU devices Integration of multi-task parallelism with pre-existing distributed data parallelism to enable a 2D parallelization for distributed training Improved portability of the distributed training across Intel GPUs, which has been testes on ALCF exascale supercomputer Aurora Inclusion of 2-level fine-grained energy profilers portable across NVIDIA, AMD, and Intel GPUs to monitor the power and energy consumption associated with different functions executed by the HydraGNN code during data pre-load and training Restructuring of previous examples and inclusion of new sets of examples to illustrate the download, preprocess, and training of HydraGNN models on new large-scale open-source datasets for atomistic materials modeling (e.g., Alexandria, Transition1x, OMat24, OMol25)

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗

HydraGNN v5.0

HydraGNN v5.0 expands the code base into a more portable, scalable, and flexible framework for scientific graph learning, with particular strength in atomistic machine-learning interatomic potentials and large-scale distributed training. The release adds Fully Sharded Data Parallel (FSDP) support alongside existing DDP and DeepSpeed paths, including FSDP-aware checkpointing and optimizer integration, and introduces a configurable multi-precision training workflow supporting FP32, BF16, and FP64 across GPUs and Intel XPUs. For atomistic modeling, HydraGNN v5.0 strengthens its MLIP capabilities through dynamic graph construction at every forward pass, energy-conserving force prediction via automatic differentiation, and per-atom energy loss formulations, while extending EGNN models to properly handle periodic boundary conditions. The release also broadens model expressiveness through graph-level attribute conditioning, adds new multi-task and model-parallel extensions such as MACE support and encoder/decoder branch optimization, and expands application coverage with integrated examples for datasets including OC25, Nabla2-DFT, QCML, Open Polymers 2026, and OPF. In parallel, HydraGNN v5.0 improves production readiness through performance optimizations for large-scale runs, stratified sampling and linear-regression preprocessing utilities, and tested installation scripts for DOE supercomputers including Frontier, Aurora, Perlmutter, and Andes. Overall, the release advances HydraGNN as a robust software platform for scalable graph neural networks across materials science, chemistry, and scientific machine learning workflows

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗

wa-hls4ml and lui-gnn: A benchmark and GNN-based surrogate model for hls4ml resource and latency estimation

As machine learning (ML) increasingly serves as a tool for addressing real-time challenges in scientific applications, the development of advanced tooling has significantly reduced the time required to iterate on various designs. These advancements have solved major obstacles, but also exposed new challenges. For example, processes that were not previously considered bottlenecks, such as model synthesis, are now becoming limiting factors in the rapid iteration of designs. To reduce these emerging constraints, multiple efforts are being launched toward designing an ML-based surrogate model that estimates resource usage of synthesized accelerator architectures. This model would reduce the design iteration time, especially when designing within a set of given hardware constraints. This approach shows considerable potential, but as it stands, the effort is early and would benefit from coordination and standardization to assist future work as it emerges. We introduce wa-hls4ml, a benchmark for ML accelerator resource and latency estimation, and its corresponding initial dataset of more than 100,000 fully connected neural networks, all synthesized using hls4ml and targeting Xilinx FPGAs. In addition to the resource utilization and latency data provided, the dataset includes generated artifacts and log files for many of the synthesized neural networks, in order to support future research in ML-based code generation. The benchmark evaluates the performance of resource and latency predictors against several common ML model architectures, primarily originating from scientific domains, as exemplar models, as well as the average performance across a subset of the dataset. We measure the performance of a given predictor model through multiple metrics, including $R^2$ score and SMAPE on regression tasks, as well as inference time to further characterize the estimator under test. Additionally, we introduce the latency/utilization inference graph neural network (lui-gnn), a surrogate model that uses a graph neural network to represent input architectures in the form of a directed graph. This graph representation allows for a diverse set of model architectures to all be effectively handled by a surrogate model. We present the architecture and performance of the model, as evaluated by the new proposed benchmark, including SMAPE, $R^2$ score, and inference times, and find that lui-gnn generally predicts latency and utilization for the 75\% quantile within several percent of the synthesized resources on the synthetic test dataset, indicating that this approach of estimating resource and latency via a surrogate models has promise and warrants further research.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Kinematic flow from the flow of cuts

The wavefunction coefficients of conformally coupled scalars in power-law FRW cosmologies satisfy differential equations governed by a set of simple combinatorial rules known as the kinematic flow. In this paper we derive the kinematic flow, expressed using a set of differential forms referred to as the cut basis, from a geometric perspective, relying solely on the cosmological hyperplane arrangement and without invoking bulk physics. Each element of the cut basis corresponds to the positive geometry associated to an independent cut of the physical FRW-form and can be labeled by decorating (minors of) the truncated Feynman graph with an acyclic orientation. We provide a straightforward prescription to associate a logarithmic differential form to each element of the cut basis by considering its corresponding decorated graph. Moreover, we show that the residues of the physical FRW-form are canonical forms of certain graphical zonotopes labeled by the same set of decorated graphs. These zonotopes control the cut combinatorics -- flow of cuts -- of the physical FRW-form and the cut basis (by construction). Using the theory of relative twisted cohomology and intersection theory, we derive a closed form formula for the differential equations of the cut basis. We also introduce combinatorial rules that compute the kinematic differential of any basis element without explicit calculation. The combinatorics of our differential equations is a natural consequence of the flow of cuts and is equivalent (up to rescaling) to the kinematic flow for the recently studied time integral basis. In particular, our differential equations decouple into exponentially many sectors, one for each way of cutting a subset of edges of the graph.

General Relativity and Quantum Cosmology↗

Generalized m series in tree enumeration.

Consideration of a particular series formed by deleting certain branches of the complete graph K sub t with t vertices. A class of graphs which contains the m series as a special case is considered, and a new formula is given for the m series itself (an m series graph is obtained from K sub t by removing m branches forming a closed loop). A formula is derived for the number of labeled spanning trees in the graph obtained by deleting certain branches from K sub t.

O'Neil, P. V.↗

Isentropic decompression of fluids from crustal and mantle pressures

Criteria are derived according to which the flow of single-phase magmatic fluids and the rarefaction expansion of low-viscosity liquids and gases may be considered approximately isentropic. Graphs of entropy vs. density with contours of constant pressure and mass fraction are used to examine the possible thermodynamic histories of H2O and CO2 decompressing isentropically from crustal and upper mantle pressures; these graphs offer a simple visual representation of a number of thermodynamic variables involved in isentropic processes. It is shown how the graphs can be used to examine the behavior of volatiles that (1) ascend in volcanic systems originating at different depths within the earth, and (2) decompress from a shock Hugoniot state. Entropy-density graphs are presented separately for H2O and CO2.

Kieffer, S. W.↗

Aircraft control position indicator

An aircraft control position indicator was provided that displayed the degree of deflection of the primary flight control surfaces and the manner in which the aircraft responded. The display included a vertical elevator dot/bar graph meter display for indication whether the aircraft will pitch up or down, a horizontal aileron dot/bar graph meter display for indicating whether the aircraft will roll to the left or to the right, and a horizontal dot/bar graph meter display for indicating whether the aircraft will turn left or right. The vertical and horizontal display or displays intersect to form an up/down, left/right type display. Internal electronic display driver means received signals from transducers measuring the control surface deflections and determined the position of the meter indicators on each dot/bar graph meter display. The device allows readability at a glance, easy visual perception in sunlight or shade, near-zero lag in displaying flight control position, and is not affected by gravitational or centrifugal forces.

Dennis, Dale V.↗

Search Problems in Mission Planning and Navigation of Autonomous Aircraft

An architecture for the control of an autonomous aircraft is presented. The architecture is a hierarchical system representing an anthropomorphic breakdown of the control problem into planner, navigator, and pilot systems. The planner system determines high level global plans from overall mission objectives. This abstract mission planning is investigated by focusing on the Traveling Salesman Problem with variations on local and global constraints. Tree search techniques are applied including the breadth first, depth first, and best first algorithms. The minimum-column and row entries for the Traveling Salesman Problem cost matrix provides a powerful heuristic to guide these search techniques. Mission planning subgoals are directed from the planner to the navigator for planning routes in mountainous terrain with threats. Terrain/threat information is abstracted into a graph of possible paths for which graph searches are performed. It is shown that paths can be well represented by a search graph based on the Voronoi diagram of points representing the vertices of mountain boundaries. A comparison of Dijkstra's dynamic programming algorithm and the A* graph search algorithm from artificial intelligence/operations research is performed for several navigation path planning examples. These examples illustrate paths that minimize a combination of distance and exposure to threats. Finally, the pilot system synthesizes the flight trajectory by creating the control commands to fly the aircraft.

Krozel, James A.↗

Model-based orientation-independent 3-D machine vision techniques

Orientation-dependent techniques for the identification of a three-dimensional object by a machine vision system are represented in parts. In the first part, the data consist of intensity images of polyhedral objects obtained by a single camera, while in the second part, the data consist of range images of curved objects obtained by a laser scanner. In both cases, the attributed graphic representation of the object surface is used to drive the respective algorithm. In this representation, a graph node represents a surface patch and a link represents the adjacency between two patches. The attributes assigned to nodes are moment invariants of the corresponding face for polyhedral objects. For range images, the Gaussian curvature is used as a segmentation criterion for providing symbolic shape attributes. Identification is achieved by an efficient graph-matching algorithm used to match the graph obtained from the data to a subgraph of one of the model graphs stored in the commputer memory.

De Figueiredo, R. J. P.↗

Navigation path planning for autonomous aircraft - Voronoi diagram approach

The present technique for generating a search graph depicting topologically unique paths around mountain boundaries at constant altitudes involves a description of mountain boundaries as polygons; the search graph is then generated on the basis of a geometric construct. All nodes and arcs of the search graph are guaranteed to lie in free space, thereby ensuring an autonomous aircraft's avoidance of mountain obstacles. The solution path is generated by searching the graph for the optimal path from a start location to a finish location.

Krozel, Jimmy↗

Advanced software development workstation. Engineering scripting language graphical editor: DRAFT design document

The Engineering Scripting Language (ESL) is a language designed to allow nonprogramming users to write Higher Order Language (HOL) programs by drawing directed graphs to represent the program and having the system generate the corresponding program in HOL. The ESL system supports user generation of HOL programs through the manipulation of directed graphs. The components of this graphs (nodes, ports, and connectors) are objects each of which has its own properties and property values. The purpose of the ESL graphical editor is to allow the user to create or edit graph objects which represent programs.

Source record↗

Simulator for enhanced ATAMM multiprocessing

A simulator is introduced which follows the rules of the enhanced Algorithm to Architecture Mapping Model (ATAMM) multiprocessing strategy. ATAMM is a method for embedding an algorithm into a multiprocessing system in addition to providing system performance prediction capabilities. A discussion of the inner workings of the Architecture Design and Assessment System (ADAS) hosted simulator is introduced to illustrate how the simulator follows the ATAMM rule set. A sample 5-node algorithm graph is given as an example to illustrate: (1) entering of a graph into the simulator and how to run the graph using a graph entry tool; (2) how to analyze the data; and (3) a comparison of the simulation results with the predicted results from ATAMM.

Andrews, Asa M.↗

Simulator for heterogeneous dataflow architectures

A new simulator is developed to simulate the execution of an algorithm graph in accordance with the Algorithm to Architecture Mapping Model (ATAMM) rules. ATAMM is a Petri Net model which describes the periodic execution of large-grained, data-independent dataflow graphs and which provides predictable steady state time-optimized performance. This simulator extends the ATAMM simulation capability from a heterogenous set of resources, or functional units, to a more general heterogenous architecture. Simulation test cases show that the simulator accurately executes the ATAMM rules for both a heterogenous architecture and a homogenous architecture, which is the special case for only one processor type. The simulator forms one tool in an ATAMM Integrated Environment which contains other tools for graph entry, graph modification for performance optimization, and playback of simulations for analysis.

Malekpour, Mahyar R.↗

Learning In networks

Intelligent systems require software incorporating probabilistic reasoning, and often times learning. Networks provide a framework and methodology for creating this kind of software. This paper introduces network models based on chain graphs with deterministic nodes. Chain graphs are defined as a hierarchical combination of Bayesian and Markov networks. To model learning, plates on chain graphs are introduced to model independent samples. The paper concludes by discussing various operations that can be performed on chain graphs with plates as a simplification process or to generate learning algorithms.

Buntine, Wray L.↗

Analysis of Vegetation Within A Semi-Arid Urban Environment Using High Spatial Resolution Airborne Thermal Infrared Remote Sensing Data

High spatial resolution (5 m) remote sensing data obtained using the airborne Thermal Infrared Multispectral Scanner (TIMS) sensor for daytime and nighttime have been used to measure thermal energy responses for 2 broad classes and 10 subclasses of vegetation typical of the Salt Lake City, Utah urban landscape. Polygons representing discrete areas corresponding to the 10 subclasses of vegetation types have been delineated from the remote sensing data and are used for analysis of upwelling thermal energy for day, night, and the change in response between day and night or flux, as measured by the TIMS. These data have been used to produce three-dimensional graphs of energy responses in W/ sq m for day, night, and flux, for each urban vegetation land cover as measured by each of the six channels of the TIMS sensor. Analysis of these graphs provides a unique perspective for both viewing and understanding thermal responses, as recorded by the TIMS, for selected vegetation types common to Salt Lake City. A descriptive interpretation is given for each of the day, night, and flux graphs along with an analysis of what the patterns mean in reference to the thermal properties of the vegetation types surveyed in this study. From analyses of these graphs, it is apparent that thermal responses for vegetation can be highly varied as a function of the biophysical properties of the vegetation itself, as well as other factors. Moreover, it is also seen where vegetation, particularly trees, has a significant influence on damping or mitigating the amount of thermal radiation upwelling into the atmosphere across the Salt Lake City urban landscape. Published by Elsevier Science Ltd.

Quattrochi, Dale A.↗

A Tool for Automatic Data Distribution for CFD Applications on Structured Grids

Development of HPF versions of NPB and ARC3D has shown that HPF provides an efficient, concise way to express parallelism and to organize data traffic. The use of HPF, as noted in the papers, requires an intimate knowledge of the applications and a detailed analysis of data affinity, data movement, and data granularity. To simplify and accelerate the task of developing HPF versions of existing CFD applications we have designed and implemented ADAPT (Automatic Data Alignment and Placement Tool). ADAPT analyzes a CFD application working on a single structured grid and generates HPF TEMPLATE, (RE)DISTRIBUTION, ALIGNMENT, and INDEPENDENT directives. The directives can be generated on the nest level, subroutine level, application level, or on the application interface level. ADAPT annotates an existing CFD FORTRAN application, performing computations on single or multiple grids. On each grid the application is considered as a sequence of operators, each applied to a set of variables defined in a particular grid domain. ADAPT automatically detects implicit operators (i.e., having data dependences) and explicit operators (without data dependences). For parallelization of an explicit operator ADAPT creates a template for the operator domain, aligns arrays used in the operator with the template, distributes the template, and declares the loops over the distributed dimensions as INDEPENDENT. For parallelization of an implicit operator, the distribution of the operator's domain should be consistent with the operator's dependences. Any dependence between sections distributed on different processors would preclude parallelization if the compiler does not have an ability to pipeline computations. If a data distribution is "orthogonal" to the dependences of an implicit operator, then the loop which implements the operator can be declared as INDEPENDENT. ADAPT starts with an analysis of array index expressions of the loop nests. For each pair of arrays referenced in an assignment statement, it generates an arc in the alignment graph and annotates it with an affinity relation. The template, alignment, and distribution directives for a particular loop nest are then derived from a transitive closure of the affinity relation. A compromise of data distributions in different nests and subroutines is achieved by merging annotated alignment graphs for adjacent nests/stibroutine calls in the nest/call graph of the application in the process called distribution lifting. ADAPT has been implemented as a C++ program running in conjunction with a parallelization tool called CAPTools. ADAPT uses the parse tree, interprocedural analysis and application database generated by CAPTools. It also uses the Directed Graph class, initially implemented in p2d2 (parallel debugger oi distributed programs), and some other classes supporting symbolic computations. ADAPT uses data distribution techniques described. ADAPT was tested with ARC3D and the FT benchmark and has demonstrated a code performance within a factor of 1.5 of handwritten versions.

Frumkin, Michael↗

JavaGenes and Condor: Cycle-Scavenging Genetic Algorithms

A genetic algorithm code, JavaGenes, was written in Java and used to evolve pharmaceutical drug molecules and digital circuits. JavaGenes was run under the Condor cycle-scavenging batch system managing 100-170 desktop SGI workstations. Genetic algorithms mimic biological evolution by evolving solutions to problems using crossover and mutation. While most genetic algorithms evolve strings or trees, JavaGenes evolves graphs representing (currently) molecules and circuits. Java was chosen as the implementation language because the genetic algorithm requires random splitting and recombining of graphs, a complex data structure manipulation with ample opportunities for memory leaks, loose pointers, out-of-bound indices, and other hard to find bugs. Java garbage-collection memory management, lack of pointer arithmetic, and array-bounds index checking prevents these bugs from occurring, substantially reducing development time. While a run-time performance penalty must be paid, the only unacceptable performance we encountered was using standard Java serialization to checkpoint and restart the code. This was fixed by a two-day implementation of custom checkpointing. JavaGenes is minimally integrated with Condor; in other words, JavaGenes must do its own checkpointing and I/O redirection. A prototype Java-aware version of Condor was developed using standard Java serialization for checkpointing. For the prototype to be useful, standard Java serialization must be significantly optimized. JavaGenes is approximately 8700 lines of code and a few thousand JavaGenes jobs have been run. Most jobs ran for a few days. Results include proof that genetic algorithms can evolve directed and undirected graphs, development of a novel crossover operator for graphs, a paper in the journal Nanotechnology, and another paper in preparation.

Globus, Al↗