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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 865 records · Page 48

Towards automatic Markov reliability modeling of computer architectures

The analysis and evaluation of reliability measures using time-varying Markov models is required for Processor-Memory-Switch (PMS) structures that have competing processes such as standby redundancy and repair, or renewal processes such as transient or intermittent faults. The task of generating these models is tedious and prone to human error due to the large number of states and transitions involved in any reasonable system. Therefore model formulation is a major analysis bottleneck, and model verification is a major validation problem. The general unfamiliarity of computer architects with Markov modeling techniques further increases the necessity of automating the model formulation. This paper presents an overview of the Automated Reliability Modeling (ARM) program, under development at NASA Langley Research Center. ARM will accept as input a description of the PMS interconnection graph, the behavior of the PMS components, the fault-tolerant strategies, and the operational requirements. The output of ARM will be the reliability of availability Markov model formulated for direct use by evaluation programs. The advantages of such an approach are (a) utility to a large class of users, not necessarily expert in reliability analysis, and (b) a lower probability of human error in the computation.

Liceaga, C. A.↗

Sub-domain decomposition methods and computational controls for multibody dynamical systems

This paper presents a concurrent methodology to simulate the dynamics of flexible multibody systems with a large number of degrees of freedom. A general class of open-loop structures is treated and a redundant coordinate formulation is adopted. A range space method is used in which the constraint forces are calculated using a preconditioned conjugate gradient method. By using a preconditioner motivated by the regular ordering of the directed graph of the structures, it is shown that the method is order N in the total number of coordinates of the system. The overall formulation has the advantage that it permits fine parallelization and does not rely on system topology to induce concurrency. It can be efficiently implemented on the present generation of parallel computers with a large number of processors. Validation of the method is presented via numerical simulations of space structures incorporating large number of flexible degrees of freedom.

Menon, R. G.↗

Distilling particle knowledge for fast reconstruction at high-energy physics experiments

Knowledge distillation is a form of model compression that allows artificial neural networks of different sizes to learn from one another. Its main application is the compactification of large deep neural networks to free up computational resources, in particular on edge devices. In this article, we consider proton-proton collisions at the High-Luminosity Large Hadron Collider (HL-LHC) and demonstrate a successful knowledge transfer from an event-level graph neural network (GNN) to a particle-level small deep neural network (DNN). Our algorithm, DistillNet, is a DNN that is trained to learn about the provenance of particles, as provided by the soft labels that are the GNN outputs, to predict whether or not a particle originates from the primary interaction vertex. The results indicate that for this problem, which is one of the main challenges at the HL-LHC, there is minimal loss during the transfer of knowledge to the small student network, while improving significantly the computational resource needs compared to the teacher. This is demonstrated for the distilled student network on a CPU, as well as for a quantized and pruned student network deployed on a field programmable gate array. Our study proves that knowledge transfer between networks of different complexity can be used for fast artificial intelligence (AI) in high-energy physics that improves the expressiveness of observables over non-AI-based reconstruction algorithms. Such an approach can become essential at the HL-LHC experiments, e.g. to comply with the resource budget of their trigger stages.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Runtime Systems for Energy Efficiency in Advanced Computing Systems

As heterogeneous systems become increasingly popular for both mobile and high-performance computing, conventional efficiency techniques such as dynamic voltage and frequency scaling (DVFS) fail to account for the tightly coupled and varied nature of systems on a chip (SoCs). In this work, we explore the impact of system unaware DVFS techniques on a mobile SoC under three benchmark suites: Chai, Rodinia, and Antutu. We then analyze performance trends across the suites to identify a set of consistent operating points that optimally balance power and performance across the system. The consistent operating points are then constructed into a dependency graph which can be leveraged to produce a more effective, SoC-wide governor.

97 MATHEMATICS AND COMPUTING↗

Regional Heatwave Prediction Using Graph Neural Network and Weather Station Data

Abstract Heatwaves lead to catastrophic consequences on public health and the economy. Accurate and timely predictions of regional heatwaves can improve climate preparedness and foster decision‐making to alleviate the burdens due to climate change. In this paper, we propose a heatwave prediction algorithm based on a novel deep learning model, that is, Graph Neural Network (GNN). This new GNN framework can provide real time warnings of the sudden occurrence of regional heatwaves with high accuracy at lower costs of computation and data collection. In addition, its interpretable structure unravels the spatiotemporal patterns of regional heatwaves and helps to enrich our understanding of the general climate dynamics and the causal influences between locations. The proposed GNN framework can be applied for the detection and prediction of other extreme or compound climate events, which calls for future studies.

54 ENVIRONMENTAL SCIENCES↗

Topological structure of complex predictions

Abstract Current complex prediction models are the result of fitting deep neural networks, graph convolutional networks or transducers to a set of training data. A key challenge with these models is that they are highly parameterized, which makes describing and interpreting the prediction strategies difficult. We use topological data analysis to transform these complex prediction models into a simplified topological view of the prediction landscape. The result is a map of the predictions that enables inspection of the model results with more specificity than dimensionality-reduction methods such as tSNE and UMAP. The methods scale up to large datasets across different domains. We present a case study of a transformer-based model previously designed to predict expression levels of a piece of DNA in thousands of genomic tracks. When the model is used to study mutations in the BRCA1 gene, our topological analysis shows that it is sensitive to the location of a mutation and the exon structure of BRCA1 in ways that cannot be found with tools based on dimensionality reduction. Moreover, the topological framework offers multiple ways to inspect results, including an error estimate that is more accurate than model uncertainty. Further studies show how these ideas produce useful results in graph-based learning and image classification.

Computer Science↗

Genomic Metrics Applied to Rhizobiales ( Hyphomicrobiales ): Species Reclassification, Identification of Unauthentic Genomes and False Type Strains

Taxonomic decisions within the order Rhizobiales have relied heavily on the interpretations of highly conserved 16S rRNA sequences and DNA–DNA hybridizations (DDH). Currently, bacterial species are defined as including strains that present 95–96% of average nucleotide identity (ANI) and 70% of digital DDH (dDDH). Thus, ANI values from 520 genome sequences of type strains from species of Rhizobiales order were computed. From the resulting 270,400 comparisons, a ≥95% cut-off was used to extract high identity genome clusters through enumerating maximal cliques. Coupling this graph-based approach with dDDH from clusters of interest, it was found that: (i) there are synonymy between Aminobacter lissarensis and Aminobacter carboxidus, Aurantimonas manganoxydans and Aurantimonas coralicida, “Bartonella mastomydis,” and Bartonella elizabethae, Chelativorans oligotrophicus, and Chelativorans multitrophicus, Rhizobium azibense, and Rhizobium gallicum, Rhizobium fabae, and Rhizobium pisi, and Rhodoplanes piscinae and Rhodoplanes serenus; (ii) Chelatobacter heintzii is not a synonym of Aminobacter aminovorans; (iii) “Bartonella vinsonii” subsp. arupensis and “B. vinsonii” subsp. berkhoffii represent members of different species; (iv) the genome accessions GCF_003024615.1 (“Mesorhizobium loti LMG 6125T”), GCF_003024595.1 (“Mesorhizobium plurifarium LMG 11892T”), GCF_003096615.1 (“Methylobacterium organophilum DSM 760T”), and GCF_000373025.1 (“R. gallicum R-602 spT”) are not from the genuine type strains used for the respective species descriptions; and v) “Xanthobacter autotrophicus” Py2 and “Aminobacter aminovorans” KCTC 2477T represent cases of misuse of the term “type strain”. Aminobacter heintzii comb. nov. and the reclassification of Aminobacter ciceronei as A. heintzii is also proposed. To facilitate the downstream analysis of large ANI matrices, we introduce here ProKlust (“Prokaryotic Clusters”), an R package that uses a graph-based approach to obtain, filter, and visualize clusters on identity/similarity matrices, with settable cut-off points and the possibility of multiple matrices entries.

59 BASIC BIOLOGICAL SCIENCES↗

Methane rain on Titan

The atmosphere of Titan is characterized by means of model computations based on Voyager IRIS IR spectra and published data from laboratory determinations of absorption coefficients and cloud refractive indices. The results are presented in tables and graphs, and it is pointed out that the presence of Ar is not required in the model. Particular attention is given to the role of CH4, which is found to form patchy clouds (with particle radii of 50 microns or greater and visible/IR optical depths of 2-5) at altitudes up to about 30 km. The mechanisms by which such rain-sized particles could form are discussed, and it is suggested that the observed 500-600/cm spectrum is affected much less by the CH4 clouds than by H2 or variations in the temperature of the high-altitude haze.

Toon, Owen B.↗

Strategies for concurrent processing of complex algorithms in data driven architectures

The performance modeling and enhancement for periodic execution of large-grain, decision-free algorithms in data flow architectures is examined. Applications include real-time implementation of control and signal processing algorithms where performance is required to be highly predictable. The mapping of algorithms onto the specified class of data flow architectures is realized by a marked graph model called ATAMM (Algorithm To Architecture Mapping Model). Performance measures and bounds are established. Algorithm transformation techniques are identified for performance enhancement and reduction of resource (computing element) requirements. A systematic design procedure is described for generating operating conditions for predictable performance both with and without resource constraints. An ATAMM simulator is used to test and validate the performance prediction by the design procedure. Experiments on a three resource testbed provide verification of the ATAMM model and the design procedure.

Stoughton, John W.↗

Strategies for concurrent processing of complex algorithms in data driven architectures

Performance modeling and performance enhancement for periodic execution of large-grain, decision-free algorithms in data flow architectures are discussed. Applications include real-time implementation of control and signal processing algorithms where performance is required to be highly predictable. The mapping of algorithms onto the specified class of data flow architectures is realized by a marked graph model called algorithm to architecture mapping model (ATAMM). Performance measures and bounds are established. Algorithm transformation techniques are identified for performance enhancement and reduction of resource (computing element) requirements. A systematic design procedure is described for generating operating conditions for predictable performance both with and without resource constraints. An ATAMM simulator is used to test and validate the performance prediction by the design procedure. Experiments on a three resource testbed provide verification of the ATAMM model and the design procedure.

Som, Sukhamoy↗

HURON (HUman and Robotic Optimization Network) Multi-Agent Temporal Activity Planner/Scheduler

HURON solves the problem of how to optimize a plan and schedule for assigning multiple agents to a temporal sequence of actions (e.g., science tasks). Developed as a generic planning and scheduling tool, HURON has been used to optimize space mission surface operations. The tool has also been used to analyze lunar architectures for a variety of surface operational scenarios in order to maximize return on investment and productivity. These scenarios include numerous science activities performed by a diverse set of agents: humans, teleoperated rovers, and autonomous rovers. Once given a set of agents, activities, resources, resource constraints, temporal constraints, and de pendencies, HURON computes an optimal schedule that meets a specified goal (e.g., maximum productivity or minimum time), subject to the constraints. HURON performs planning and scheduling optimization as a graph search in state-space with forward progression. Each node in the graph contains a state instance. Starting with the initial node, a graph is automatically constructed with new successive nodes of each new state to explore. The optimization uses a set of pre-conditions and post-conditions to create the children states. The Python language was adopted to not only enable more agile development, but to also allow the domain experts to easily define their optimization models. A graphical user interface was also developed to facilitate real-time search information feedback and interaction by the operator in the search optimization process. The HURON package has many potential uses in the fields of Operations Research and Management Science where this technology applies to many commercial domains requiring optimization to reduce costs. For example, optimizing a fleet of transportation truck routes, aircraft flight scheduling, and other route-planning scenarios involving multiple agent task optimization would all benefit by using HURON.

Hua, Hook↗

Cellerator: extending a computer algebra system to include biochemical arrows for signal transduction simulations

Cellerator describes single and multi-cellular signal transduction networks (STN) with a compact, optionally palette-driven, arrow-based notation to represent biochemical reactions and transcriptional activation. Multi-compartment systems are represented as graphs with STNs embedded in each node. Interactions include mass-action, enzymatic, allosteric and connectionist models. Reactions are translated into differential equations and can be solved numerically to generate predictive time courses or output as systems of equations that can be read by other programs. Cellerator simulations are fully extensible and portable to any operating system that supports Mathematica, and can be indefinitely nested within larger data structures to produce highly scaleable models.

Non-NASA Center↗

Studying CPU and memory utilization of applications on Fujitsu A64FX and Nvidia Grace Superchip

ARM-based manycore CPU architectures are well-positioned to provide the rising memory throughput requirements of modern data intensive scientific applications in High Performance Computing (HPC). The Fujitsu A64FX CPU platform is based on the ARM v8.2A architecture, and is the processor of the flagship Japanese supercomputer - "Fugaku", which was previously ranked as the #1 supercomputer in the world according to the Top500 list. The Nvidia Grace superchip features 144 Neoverse V2 cores based on the ARMv9 architecture with 4x128b SVE2, providing exceptional computational power. The chip supports up to 480GB of memory, making it ideal for AI, machine learning, and scientific computing workloads. In this paper, we conduct a thorough performance exploration of a variety of parallel bandwidth-sensitive benchmarks and applications compiled with the native Fujitsu compiler on a Fugaku A64FX compute node and ARM (LLVM) Compiler on an NVIDIA Grace superchip compute node, engaging all the computational cores per cluster using OpenMP multithreading (assuming the cores can drive the available bandwidth). Our ultimate goals are to study the resource utilization of scientific applications and benchmarks on A64FX and Grace superchip, considering graph application scenarios ( GAP Benchmark suite) and eleven appli- cation proxies from the Rodinia heterogeneous benchmark suite (considering domains such as Data Mining, Bioinformatics, Fluid Dynamics, Pattern Recognition, etc.). Through exhaustive performance monitoring, we quantify the resource utilization of diverse OpenMP-based HPC applications on both the Fujitsu A64FX and the Nvidia Grace Superchip platforms.

benchmarking, Performance Analysis, High performan↗

Deep Learning-Based Queue-Aware Eco-Approach and Departure System for Plug-In Hybrid Electric Buses at Signalized Intersections: A Simulation Study

Eco-Approach and Departure (EAD) has been considered as a promising eco-driving strategy for vehicles traveling in an urban environment, where information such as signal phase and timing (SPaT) and geometric intersection description is well utilized to guide vehicles passing through intersections in the most energy-efficient manner. Previous studies formulated the optimal trajectory planning problem as finding the shortest path on a graphical model. While this method is effective in terms of energy saving, its computation efficiency can be further enhanced by adopting machine learning techniques. In this paper, we propose an innovative deep learning-based queue-aware eco-approach and departure (DLQ-EAD) system for a plug-in hybrid electric bus (PHEB), which is able to provide an online optimal trajectory for the vehicle considering both the downstream traffic condition (i.e. traffic lights, queues) and the vehicle powertrain efficiency. Based on optimal solutions obtained from the graph-based trajectory planning algorithm (GTPA), a deep neural network (DNN) is developed to learn the optimal vehicle speed for the next time step given its current state. It is demonstrated that the trained DNN can provide energy-efficient trajectories with high computational efficiency and high flexibility adopting to dynamic changes in the surrounding environment. To address the impact of downstream traffic, a queue prediction model is further developed using data from radars and connected vehicles (CVs), as well as signal timing data from SPaT messages. A comprehensive simulation study in the microscopic traffic modeling software PTV VISSIM shows that the proposed DLQ-EAD can achieve 18.7%-24.0% energy efficiency improvements for a single PHEB on various traffic congestion levels. The proposed queue prediction model can be of practical significance even at low penetration rates of CVs. Specifically, additional energy savings of 2.0%-8.2% can be further achieved with 20% vehicles in the network.

Ye, Fei↗

Superpixel-Augmented Endmember Detection for Hyperspectral Images

Superpixels are homogeneous image regions comprised of several contiguous pixels. They are produced by shattering the image into contiguous, homogeneous regions that each cover between 20 and 100 image pixels. The segmentation aims for a many-to-one mapping from superpixels to image features; each image feature could contain several superpixels, but each superpixel occupies no more than one image feature. This conservative segmentation is relatively easy to automate in a robust fashion. Superpixel processing is related to the more general idea of improving hyperspectral analysis through spatial constraints, which can recognize subtle features at or below the level of noise by exploiting the fact that their spectral signatures are found in neighboring pixels. Recent work has explored spatial constraints for endmember extraction, showing significant advantages over techniques that ignore pixels relative positions. Methods such as AMEE (automated morphological endmember extraction) express spatial influence using fixed isometric relationships a local square window or Euclidean distance in pixel coordinates. In other words, two pixels covariances are based on their spatial proximity, but are independent of their absolute location in the scene. These isometric spatial constraints are most appropriate when spectral variation is smooth and constant over the image. Superpixels are simple to implement, efficient to compute, and are empirically effective. They can be used as a preprocessing step with any desired endmember extraction technique. Superpixels also have a solid theoretical basis in the hyperspectral linear mixing model, making them a principled approach for improving endmember extraction. Unlike existing approaches, superpixels can accommodate non-isometric covariance between image pixels (characteristic of discrete image features separated by step discontinuities). These kinds of image features are common in natural scenes. Analysts can substitute superpixels for image pixels during endmember analysis that leverages the spatial contiguity of scene features to enhance subtle spectral features. Superpixels define populations of image pixels that are independent samples from each image feature, permitting robust estimation of spectral properties, and reducing measurement noise in proportion to the area of the superpixel. This permits improved endmember extraction, and enables automated search for novel and constituent minerals in very noisy, hyperspatial images. This innovation begins with a graph-based segmentation based on the work of Felzenszwalb et al., but then expands their approach to the hyperspectral image domain with a Euclidean distance metric. Then, the mean spectrum of each segment is computed, and the resulting data cloud is used as input into sequential maximum angle convex cone (SMACC) endmember extraction.

Thompson, David R.↗

Fast and Accurate Predictions of Total Energy for Solid Solution Alloys with Graph Convolutional Neural Networks

We use graph convolutional neural networks (GCNNs) to produce fast and accurate predictions of the total energy of solid solution binary alloys. GCNNs allow us to abstract the lattice structure of a solid material as a graph, whereby atoms are modeled as nodes and metallic bonds as edges. This representation naturally incorporates information about the structure of the material, thereby eliminating the need for computationally expensive data pre-processing which would be required with standard neural network (NN) approaches. We train GCNNs on ab-initio density functional theory (DFT) for copper-gold (CuAu) and iron-platinum (FePt) data that has been generated by running the LSMS-3 code, which implements a locally self-consistent multiple scattering method, on OLCF supercomputers Titan and Summit. GCNN outperforms the ab-initio DFT simulation by orders of magnitude in terms of computational time to produce the estimate of the total energy for a given atomic configuration of the lattice structure. We compare the predictive performance of GCNN models against a standard NN such as dense feedforward multi-layer perceptron (MLP) by using the root-mean-squared errors to quantify the predictive quality of the deep learning (DL) models. We find that the attainable accuracy of GCNNs is at least an order of magnitude better than that of the MLP.

Lupo Pasini, Massimiliano↗