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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

A single-tree algorithm to compute the Euclidean minimum spanning tree on GPUs

Computing the Euclidean minimum spanning tree (Emst) is a computationally demanding step of many algorithms. While work-efficient serial and multithreaded algorithms for computing Emst are known, designing an efficient GPU algorithm is challenging due to a complex branching structure, data dependencies, and load imbalances. In this paper, we propose a single-tree $Bor\mathring{u}vka$-based algorithm for computing Emst on GPUs. We use an efficient nearest neighbor algorithm and reduce the number of the required distance calculations by avoiding traversing subtrees with leaf nodes in the same component. The developed algorithms are implemented in a performance portable way using ArborX, an open-source geometric search library based on the Kokkos framework. We evaluate the proposed algorithm on various 2D and 3D datasets, show and compare it with the current state-of-the-art open-source CPU implementations. We demonstrate 4-24 × speedup over the fastest multi-threaded implementation. We prove the portability of our implementation by providing results on a variety of hardware: AMD EPYC 7763, Nvidia A100 and AMD MI250X. We show scalability of the implementation, computing Emst for 37 million 3D cosmological dataset in under a 0.5 second on a single A100 Nvidia GPU.

Prokopenko, Andrey↗

The use of minimal spanning trees in particle physics

Minimal spanning trees (MSTs) have been used in cosmology and astronomy to distinguish distributions of points in a multi-dimensional space. They are essentially unknown in particle physics, however. We briefly define MSTs and illustrate their properties through a series of examples. We show how they might be applied to study a typical event sample from a collider experiment and conclude that MSTs may prove useful in distinguishing different classes of events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Local Limit of the Uniform Spanning Tree on Dense Graphs

Let G be a connected graph in which almost all vertices have linear degrees and let T be a uniform spanning tree of G. For any fixed rooted tree F of height r we compute the asymptotic density of vertices v for which the r-ball around v in T is isomorphic to F. We deduce from this that if {G_n} is a sequence of such graphs converging to a graphon W, then the uniform spanning tree of G{sub n} locally converges to a multi-type branching process defined in terms of W. As an application, we prove that in a graph with linear minimum degree, with high probability, the density of leaves in a uniform spanning tree is at least e{sup −1}−o(1), the density of vertices of degree 2 is at most e{sup −1}+o(1) and the density of vertices of degree k⩾3 is at most (((k−2){sup k−2})/((k−1)!e{sup k−2}))+o(1). These bounds are sharp.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Neuromorphic Graph Algorithms: Extracting Longest Shortest Paths and Minimum Spanning Trees

Neuromorphic computing is poised to become a promising computing paradigm in the post Moore's law era due to its extremely low power usage and inherent parallelism. Traditionally speaking, a majority of the use cases for neuromorphic systems have been in the field of machine learning. In order to expand their usability, it is imperative that neuromorphic systems be used for non-machine learning tasks as well. The structural aspects of neuromorphic systems (i.e., neurons and synapses) are similar to those of graphs (i.e., nodes and edges), However, it is not obvious how graph algorithms would translate to their neuromorphic counterparts. In this work, we propose a preprocessing technique that introduces fractional offsets on the synaptic delays of neuromorphic graphs in order to break ties. This technique, in turn, enables two graph algorithms: longest shortest path extraction and minimum spanning trees.

Kay, Bill↗

An automated procedure built on MTEX for reconstructing deformation twin hierarchies from electron backscattered diffraction datasets of heavily twinned microstructures

Here we present a set of algorithms built on the MTEX and MATLAB graph toolboxes for automatic reconstruction of deformation twin hierarchies from Electron Backscatter Diffraction (EBSD) datasets with a focus on developing methods for heavily twinned microstructures (twin fractions >0.5). The algorithms address key issues arising at large strains, mainly: missing twin relationships, grouping of heavily deformed grain fragments into families of similar orientation originating from a single initial grain, identification of parent fragments for large twin volume fractions, and classification of families having twin relationships with multiple families. To facilitate the development of these algorithms, large-grained ultra-high purity α-Ti deformed in compression along two directions is investigated. Graphs are utilized to handle non-local geometric merging and to represent relationships throughout the reconstruction process. When determining if a grain fragment is from the undeformed microstructure, the combined metrics of the fragment's orientation volume fraction in the initial texture and the directed graph centrality measure of out-closeness (the number of nodes reached in a graph from a given node) are essential. To address automation in reconstructing the sequence of twinning and relating fragments originating from a single grain in the initial microstructure, the twin family tree is formulated as a minimum spanning tree emanating from the initial grain family. A scheme constructing the distances associated with twin relationship comprising the spanning tree is developed, and a novel quasi-directional Prim spanning tree algorithm is used to determine the twin family tree. The procedure is demonstrated to significantly improve the level of automation in reconstructing twin hierarchies in heavily twinned microstructure compared to other methodologies in literature. The procedure can readily be applied to analyses of twinning in metals, as well as provide an approach for routinely extracting twin statistics at larger deformation levels than previously possible. Significantly, the procedure is demonstrated to be capable of identifying third generation twinning in α-Ti microstructures.

36 MATERIALS SCIENCE↗

Convergence Rates for Empirical Estimation of Binary Classification Bounds

Bounding the best achievable error probability for binary classification problems is relevant to many applications including machine learning, signal processing, and information theory. Many bounds on the Bayes binary classification error rate depend on information divergences between the pair of class distributions. Recently, the Henze–Penrose (HP) divergence has been proposed for bounding classification error probability. We consider the problem of empirically estimating the HP-divergence from random samples. We derive a bound on the convergence rate for the Friedman–Rafsky (FR) estimator of the HP-divergence, which is related to a multivariate runs statistic for testing between two distributions. The FR estimator is derived from a multicolored Euclidean minimal spanning tree (MST) that spans the merged samples. We obtain a concentration inequality for the Friedman–Rafsky estimator of the Henze–Penrose divergence. We validate our results experimentally and illustrate their application to real datasets.

97 MATHEMATICS AND COMPUTING↗

Geometric Estimation of Multivariate Dependency

This paper proposes a geometric estimator of dependency between a pair of multivariate random variables. The proposed estimator of dependency is based on a randomly permuted geometric graph (the minimal spanning tree) over the two multivariate samples. This estimator converges to a quantity that we call the geometric mutual information (GMI), which is equivalent to the Henze–Penrose divergence. between the joint distribution of the multivariate samples and the product of the marginals. The GMI has many of the same properties as standard MI but can be estimated from empirical data without density estimation; making it scalable to large datasets. The proposed empirical estimator of GMI is simple to implement, involving the construction of an minimal spanning tree (MST) spanning over both the original data and a randomly permuted version of this data. We establish asymptotic convergence of the estimator and convergence rates of the bias and variance for smooth multivariate density functions belonging to a Hölder class. We demonstrate the advantages of our proposed geometric dependency estimator in a series of experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Scalable access to shared files in a distributed system

Logic may pre-populate cache of compute nodes allocated to a user's session. Logic may access an image file of a global filesystem, the image file to comprise a first set of one or more files associated with a user session and a second set of one or more files upon which execution of the first set will depend. Logic may store the image file in local data storage of each compute node of a spanning tree of compute nodes allocated for the user session. Logic may unpack the image file based on the data. Logic may configure the local environment of each compute node in the spanning tree to identify a location in local memory of each of the files. And logic may initiate execution of a local filesystem service in each of the compute nodes of the spanning tree.

Oganezov, Alexander↗

Random Forests and Networks Analysis

Wilson (Proceedings of the twenty-eight annual acm symposium on the theory of computing, pp. 296–303, 1996) in the 1990s described a simple and efficient algorithm based on loop-erased random walks to sample uniform spanning trees and more generally weighted trees or forests spanning a given graph. This algorithm provides a powerful tool in analyzing structures on networks and along this line of thinking, in recent works (Avena and Gaudillière in A proof of the transfer-current theorem in absence of reversibility, in Stat. Probab. Lett. 142, 17–22 (2018); Avena and Gaudillière in J Theor Probab, 2017. https://doi.org/10.1007/s10959-017-0771-3 ; Avena et al. in Approximate and exact solutions of intertwining equations though random spanning forests, 2017. arXiv:1702.05992v1 ; Avena et al. in Intertwining wavelets or multiresolution analysis on graphs through random forests, 2017. arXiv:1707.04616 , to appear in ACHA (2018)) we focused on applications of spanning rooted forests on finite graphs. The resulting main conclusions are reviewed in this paper by collecting related theorems, algorithms, heuristics and numerical experiments. A first foundational part on determinantal structures and efficient sampling procedures is followed by four main applications: (1) a random-walk-based notion of well-distributed points in a graph, (2) a framework to describe metastable-like dynamics in finite settings by means of Markov intertwining dualities, (3) coarse graining schemes for networks and associated processes, (4) wavelets-like pyramidal algorithms for graph signals.

97 MATHEMATICS AND COMPUTING↗

PANDORA: A Parallel Dendrogram Construction Algorithm for Single Linkage Clustering on GPU

This paper introduces Pandora, a parallel algorithm for computing dendrograms, the hierarchical cluster trees for single linkage clustering (SLC). Current parallel approaches construct dendrograms by partitioning a minimum spanning tree and removing edges. However, they struggle with skewed, hard-to-parallelize real-world dendrograms. Consequently, computing dendrograms is the sequential bottleneck in HDBSCAN*[21], a popular SLC variant. Pandora uses recursive tree contraction to address this limitation. Pandora contracts nodes to construct progressively smaller trees. It computes the smallest contracted dendrogram and expands it by inserting contracted edges. This recursive strategy is highly parallel, skew-independent, work-optimal, and well-suited for GPUs and multicores. We develop a performance portable implementation of Pandora in Kokkos[31] and evaluate its performance on multicore CPUs and multi-vendor GPUs (e.g., Nvidia, AMD) for dendrogram construction in HDBSCAN*. Multithreaded Pandora is 2.2x faster than the current best-multithreaded implementation. Our GPU version achieves 6-20x speedup on AMD GPUs and 10-37x on NVIDIA GPUs over multithreaded Pandora. Pandora removes HDBSCAN*’s sequential bottleneck, greatly boosting efficiency, particularly with GPUs.

Sao, Piyush↗

Simulations of Fractal Star Cluster Formation. I. New Insights for Measuring Mass Segregation of Star Clusters with Substructure

We compare the existent methods, including the minimum spanning tree based method and the local stellar density based method, in measuring mass segregation of star clusters. We find that the minimum spanning tree method reflects more the compactness, which represents the global spatial distribution of massive stars, while the local stellar density method reflects more the crowdedness, which provides the local gravitational potential information. It is suggested to measure the local and the global mass segregation simultaneously. We also develop a hybrid method that takes both aspects into account. This hybrid method balances the local and the global mass segregation in the sense that the predominant one is either caused by dynamical evolution or purely accidental, especially when such information is unknown a priori. In addition, we test our prescriptions with numerical models and show the impact of binaries in estimating the mass segregation value. As an application, we use these methods on the Orion Nebula Cluster (ONC) observations and the Taurus cluster. We find that the ONC is significantly mass segregated down to the 20th most massive stars. In contrast, the massive stars of the Taurus cluster are sparsely distributed in many different subclusters, showing a low degree of compactness. The massive stars of Taurus are also found to be distributed in the high-density region of the subclusters, showing significant mass segregation at subcluster scales. Meanwhile, we also apply these methods to discuss the possible mechanisms of the dynamical evolution of the simulated substructured star clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

A Graph Theory Method for Identification of a Minimum Breakpoint Set for Directional Relay Coordination

The energy grid becomes more complex with increasing penetration of renewable resources, distributed energy storage, distributed generators, and more diverse loads such as electric vehicle charging stations. The presence of distributed energy resources (DERs) requires directional protection due to the added potential for energy to flow in both directions down the line. Additionally, contingency requirements for critical loads within a microgrid may result in looped or meshed systems. Computation speeds of iterative methods required to coordinate loops are improved by starting with a minimum breakpoint set (MBPS) of relays. A breakpoint set (BPS) is a set of breakers such that, when opened, breaks all loops in a mesh grid creating a radial system. A MBPS is a BPS that consists of the minimum possible number of relays required to accomplish this goal. In this paper, a method is proposed in which a minimum spanning tree is computed to indirectly break all loops in the system, and a set difference is used to identify the MBPS. The proposed method is found to minimize the cardinality of the BPS to achieve a MBPS.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Graph-Theoretic Approaches to Quantifying Power System Resiliency

Although gaining growing importance, the subject of power system resiliency still lacks a commonly acknowledged metric. As a contribution to solving this complication, in this paper we leverage the concepts of spanning trees and Fiedler value from graph theory to propose two topology-based indices for quantifying the resiliency of power systems. The proposed indices require least information and may be applied to any other flow network, such as water or gas pipeline networks.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A mixing timescale model for TPDF simulations of turbulent premixed flames

Transported probability density function (TPDF) methods are an attractive modeling approach for turbulent flames as chemical reactions appear in closed form. However, molecular micro-mixing needs to be modeled and this modeling is considered a primary challenge for TPDF methods. In the present study, a new algebraic mixing rate model for TPDF simulations of turbulent premixed flames is proposed, which is a key ingredient in commonly used molecular mixing models. The new model aims to properly account for the transition in reactive scalar mixing rate behavior from the limit of turbulence-dominated mixing to molecular mixing behavior in flamelets. An a priori assessment of the new model is performed using direct numerical simulation (DNS) data of a lean premixed hydrogen–air jet flame. The new model accurately captures the mixing timescale behavior in the DNS and is found to be a significant improvement over the commonly used constant mechanical-to-scalar mixing timescale ratio model. An a posteriori TPDF study is then performed using the same DNS data as a numerical test bed. The DNS provides the initial conditions and time-varying input quantities, including the mean velocity, turbulent diffusion coefficient, and modeled scalar mixing rate for the TPDF simulations, thus allowing an exclusive focus on the mixing model. Here, the new mixing timescale model is compared with the constant mechanical-to-scalar mixing timescale ratio coupled with the Euclidean Minimum Spanning Tree (EMST) mixing model, as well as a laminar flamelet closure. It is found that the laminar flamelet closure is unable to properly capture the mixing behavior in the thin reaction zones regime while the constant mechanical-to-scalar mixing timescale model under-predicts the flame speed. Furthermore, the EMST model coupled with the new mixing timescale model provides the best prediction of the flame structure and flame propagation among the models tested, as the dynamics of reactive scalar mixing across different flame regimes are appropriately accounted for.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enabling Real-Time Communication in Multi-Agent Systems: A Graph Neural Network Based Approach

Global connectivity enables effective coordination in Multi-Agent Systems (MAS). Solving these connection problems under hardware constraints is an NP-hard non-Euclidean Degree Constrained Minimum Spanning Tree (DCMST) problem. Prior MAS controllers coordinate team movement for task completion and collision avoidance; some considering Line-of-Sight (LOS) maintenance but prioritizing flexibility over guarantees. Evolutionary Algorithms (EA) have been shown to find good solutions for DCMST, but their performance degrades with larger populations required to support a large MAS. We present a method based on edge graph attention networks, trained offline to reduce online computation times. Empirical comparisons with greedy polynomial-time solvers and EA show that our method leverages latent graph information to consistently find constraint-satisfying solutions in less time.

connectivity maintenance↗