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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 379 records · Page 21

GradientGraph

Under this SBIR Phase II, Reservoir Labs has developed G2 Analytics, a new technology that allows network operators to analyze bottleneck and flow performance with high precision. G2 delivers a new analytical approach and framework to resolve a variety of key problems found in modern communication networks, including: traffic engineering, routing, flow scheduling, network design, capacity planning, resiliency analysis, network slicing, or service level agreement (SLA) management, among others. G2 leverages the bottleneck structure of congestion-controlled communication networks, a recent mathematical discovery by the Reservoir team [RL19b, RL20a, RL20b, RL21a]. Bottleneck structures reveal how perturbations on flows and links propagate through the network, providing an analytical framework to measure (qualitatively and quantitatively) the ripple effects induced as they traverse the network. Leveraging the mathematics of bottleneck structures, Reservoir Labs is developing the G2 technology to provide network operators with a framework to design, optimize and troubleshoot network performance. This delivery includes the G2 software stack.

Yellamraju, Sruthi↗

Multi-Edge Graph Convolutional Networks for Power Systems

The exponential electrification of transportation has contributed to highly intermittent load variations in the distribution grid. This uncertainty has raised challenges for distribution system operation and control. Accurate nodal voltage estimation is highly essential for the safe and reliable operation of the grid. Graph convolutional networks have been used in machine-learning-based models for power grid applications like voltage estimation for their ability to capture the network topology of the grid. This paper presents a novel multi-edge graph convolutional layer that considers resistance and reactance as edge attributes. This layer is created by modifying the message-passing function within the graph convolutional network. The novel layer is then used to create a multi-edge graph convolutional network-based surrogate model for estimating voltage in the distribution network with highly uncertain electric vehicle loads. Results indicate improved performance of the multi-edge graph convolutional network model when compared to a standard graph convolutional network model.

Ravi, Abhijith↗

Understanding and Analyzing Interconnect Errors and Network Congestion on a Large Scale HPC System

Today's High Performance Computing (HPC) systems are capable of delivering performance in the order of petaflops due to the fast computing devices, network interconnect, and back-end storage systems. In particular, interconnect resilience and congestion resolution methods have a major impact on the overall interconnect and application performance. This is especially true for scientific applications running multiple processes on different compute nodes as they rely on fast network messages to communicate and synchronize frequently. Unfortunately, the HPC community lacks state-of-practice experience reports that detail how different interconnect errors and congestion events occur on large-scale HPC systems. Therefore, in this paper, we process and analyze interconnect data of the Titan supercomputer to develop a thorough understanding of interconnects faults, errors and congestion events. We also study the interaction between interconnect, errors, network congestion and application characteristics.

Kumar, Mohit↗

Architecture and performance analysis of DIRSMIN: A fault-tolerant switch using dilated reduced-stage MIN

We develop and analyze a dilated high performance fault tolerant fast packet multistage interconnection network (MIN) in this paper. In this new design, the links at the input and the output stages of a dilated banyan-based MIN are rearranged to create multiple routes for each source-destination pair in the network after removing one stage in the network. These multiple paths are link- and node-disjoint. Fault tolerance at low latency is achieved by sending multiple copies of each input packet simultaneously using different routes and different priorities. This guarantees that high throughput is maintained even in the presence of faults. Throughput is analyzed using simulation and analysis and we show that the new design has considerably higher performance in the presence of a faulty switching element (SE) or link in comparison to dilated networks. We also analyze the reliability and show that the new design has superior reliability in comparison to competing proposals.

Somani, Arun K.↗

Cyber-Power Co-Simulation for End-to-End Synchrophasor Network Analysis and Applications

The resiliency, reliability and security of the next generation cyber-power smart grid depend upon efficiently leveraging advanced communication and computing technologies. Also, developing real-time data-driven applications is critical to enable wide-area monitoring and control of the cyber-power grid given high-resolution data from Phasor Measurement Units (PMUs). North American Synchrophasor Initiative Network (NASPlnet) provides guidance for PMU data exchanges. With the advancement in networking and grid operation, it is necessary to evaluate the performance of different data flow architectures suggested by NASPInet and analyze the impact on applications. Therefore, we need a cyber-power co-simulation framework that supports very large-scale co-simulation capable of running in parallel, high-performance computing platforms and capturing real-life network behavior. This work presents an end-to-end automated and user-driven cyber-power co-simulation using NS3 to model communication networks, GridPACK to model the power grid, and HELICS as a co-simulation engine. Comparative analysis of latency in synchrophasor networks and a performance evaluation of a power system stabilizer application utilizing PMU data in an IEEE 39 bus test system is presented using this cosimulation testbed.

Mustafa, Hussain M.↗

Learning the factors controlling mineral dissolution in three-dimensional fracture networks: applications in geologic carbon sequestration

We perform a set of high-fidelity simulations of geochemical reactions within three-dimensional discrete fracture networks (DFN) and use various machine learning techniques to determine the primary factors controlling mineral dissolution. The DFN are partially filled with quartz that gradually dissolves until quasi-steady state conditions are reached. At this point, we measure the quartz remaining in each fracture within the domain as our primary quantity of interest. We observe that a primary sub-network of fractures exists, where the quartz has been fully dissolved out. This reduction in resistance to flow leads to increased flow channelization and reduced solute travel times. However, depending on the DFN topology and the rate of dissolution, we observe substantial variability in the volume of quartz remaining within fractures outside of the primary subnetwork. This variability indicates an interplay between the fracture network structure and geochemical reactions. We characterize the features controlling these processes by developing a machine learning framework to extract their relevant impact. Specifically, we use a combination of high-fidelity simulations with a graph-based approach to study geochemical reactive transport in a complex fracture network to determine the key features that control dissolution. We consider topological, geometric and hydrological features of the fracture network to predict the remaining quartz in quasi-steady state. We found that the dissolution reaction rate constant of quartz and the distance to the primary sub-network in the fracture network are the two most important features controlling the amount of quartz remaining. This study is a first step towards characterizing the parameters that control carbon mineralization using an approach with integrates computational physics and machine learning.

54 ENVIRONMENTAL SCIENCES↗

GASNet-EX RMA Communication Performance on Recent Supercomputing Systems

Partitioned Global Address Space (PGAS) programming models, typified by systems such as Unified Parallel C (UPC) and Fortran coarrays, expose one-sided Remote Memory Access (RMA) communication as a key building block for High Performance Computing (HPC) applications. Architectural trends in supercomputing make such programming models increasingly attractive, and newer, more sophisticated models such as UPC++, Legion and Chapel that rely upon similar communication paradigms are gaining popularity. GASNet-EX is a portable, open-source, high-performance communication library designed to efficiently support the networking requirements of PGAS runtime systems and other alternative models in emerging exascale machines. The library is an evolution of the popular GASNet communication system, building upon 20 years of lessons learned. We present microbenchmark results which demonstrate the RMA performance of GASNet-EX is competitive with MPI implementations on four recent, high-impact, production HPC systems. These results are an update relative to previously published results on older systems. The networks measured here are representative of hardware currently used in six of the top ten fastest supercomputers in the world, and all of the exascale systems on the U.S. DOE road map.

Hargrove, Paul H↗

Modeling a Wireless Network for International Space Station

This paper describes the application of wireless local area network (LAN) simulation modeling methods to the hybrid LAN architecture designed for supporting crew-computing tools aboard the International Space Station (ISS). These crew-computing tools, such as wearable computers and portable advisory systems, will provide crew members with real-time vehicle and payload status information and access to digital technical and scientific libraries, significantly enhancing human capabilities in space. A wireless network, therefore, will provide wearable computer and remote instruments with the high performance computational power needed by next-generation 'intelligent' software applications. Wireless network performance in such simulated environments is characterized by the sustainable throughput of data under different traffic conditions. This data will be used to help plan the addition of more access points supporting new modules and more nodes for increased network capacity as the ISS grows.

Alena, Richard↗

Regulating Gas Transport in Molecularly Engineered Polymer Membranes (Final Technical Report)

Energy-efficient separation processes are essential for a wide range of applications ranging from clean fuels (e.g., hydrogen purification) and petroleum refining (e.g., natural gas processing) to water purification and carbon capture. Membrane-mediated separations have shown tremendous promise in providing high productivity and high separation efficiency at significantly lower energy consumption, e.g., up to 90% less energy cost than traditional thermally driven processes such as distillation. Polymeric membranes–the dominant separation membrane materials–have yet to reach their full potential due to their limitations in long-term durability (e.g., productivity loss over the period of their lifetime due to physical aging) or insufficient stability under harsh conditions (e.g., high temperature, chemically complex feeds). This research seeks to establish a new paradigm in polymer membrane material design by harnessing crosslinked model networks with well-defined yet finely tailorable microstructure to facilitate fast and selective gas transport and simultaneously enhance membrane stability. Unlike traditional randomly crosslinked polymers, which suffer from structural inconsistencies and consequently suboptimal gas separation performance, crosslinked model network membranes prepared via a precisely controlled end-linking process enables the creation of previously unattainable microstructure tunability, which, in turn, results in versatile crosslinked membranes with high separation performance that meet the needs of various challenging gas separations. Using model network framework as a fundamental tool by applying this concept in diverse polymer categories, this work has led to the development of various innovative crosslinked membrane structures such as unimodal, bimodal and clustered model networks. These advanced crosslinked polymer membranes not only demonstrate exceptional gas separation performance that significantly outperform existing randomly crosslinked membranes, but also possess excellent long-term durability and robust stability under complex operating conditions. From a fundamental perspective, results from this research provide critical mechanistic insights into gas separation in crosslinked polymer membranes, addressing key knowledge gaps and opening new avenues for membrane design to meet various separation needs. The new membrane materials produced from this research enable the use of polymeric membranes for high temperature gas separations, offering substantial energy and cost savings by eliminating the need for repeated cooling-heating cycles in industrial processes.

02 PETROLEUM↗

Improving Data Transfer Throughput with Direct Search Optimization

Improving data transfer throughput over high-speed long-distance networks has become increasingly difficult. Numerous factors such as nondeterministic congestion, dynamics of the transfer protocol, and multiuser and multitask source and destination endpoints, as well as interactions among these factors, contribute to this difficulty. A promising approach to improving throughput consists in using parallel streams at the application layer.We formulate and solve the problem of choosing the number of such streams from a mathematical optimization perspective. We propose the use of direct search methods, a class of easy-to-implement and light-weight mathematical optimization algorithms, to improve the performance of data transfers by dynamically adapting the number of parallel streams in a manner that does not require domain expertise, instrumentation, analytical models, or historic data. We apply our method to transfers performed with the GridFTP protocol, and illustrate the effectiveness of the proposed algorithm when used within Globus, a state-of-the-art data transfer tool, on productionWAN links and servers. We show that when compared to user default settings our direct search methods can achieve up to 10x performance improvement under certain conditions. We also show that our method can overcome performance degradation due to external compute and network load on source end points, a common scenario at high performance computing facilities.

Balaprakash, Prasanna↗

Deep Transfer Learning With Field-Based Measurements for Large Area Classification

Classification of Electro-Optical (EO) datasets using Deep Neural Networks (DNNs) has lead to high-performance supervised learning algorithms. However, DNNs require a large amount of labeled data for training which often have limited availability in ecological studies. Up-to-date classification of vegetation in sensitive Arctic ecosystems continue to be a challenge. In an ecosystem undergoing rapid change, capturing the dynamics of vegetation requires the existing maps of vegetation (such as Alaska Existing Vegetation Type (AKEVT), circa 2000) to be updated based on frequent field based observation of vegetation. A method is needed to transfer the knowledge gained from field-collected observations to a larger area using DNNs. Transfer learning is a machine learning technique where a model trained on one task is re-purposed on another similar task. This paper seeks to train DNNs using field-collected observations and apply transfer learning to apply the knowledge gained to update existing vegetation map at larger scale. We test two DNN methods, (1) a deep multilayer perceptron (MLP) model and (2) siamese MLP network that uses a structure to rank similarity between inputs and can be used for training datasets with few samples and show good performance with limited datasets (e.g. few-shot learning). The results show ∼90% accuracy (using the field observations for evaluation) when transfer learning is applied to a siamese network, compared to ∼45% accurate when a MLP is trained on the AKEVT and evaluated on the field observations. The approach show promise for improving and update the existing vegetation maps over large areas using limited field-based observations.

Langford, Zach↗

Graph Analytics on Jellyfish topology

Because large unstructured datasets is important for many science domains, distributed graph analytics is critical to many scientists. Unfortunately, obtaining scaling and performance for irregular communication is challenging because contemporary network interconnects are primarily designed to maximize bandwidths of fixed-neighborhoods large-message exchanges (e.g., stencils). Although there is no consensus on the “best” network topologies for irregular communication, unstructured graph-based interconnects can be more suitable. We analyze three popular graph workloads – clustering, pattern enumeration, and traversal — on comparable networks (in terms of resources and costs) constructed from Jellyfish Random Regular, Dragonfly and Fat tree topologies, varying the routing algorithms. Using packet-level simulations, we demonstrate up to 60% improvement in communication time with Jellyfish due to diversity of the short paths between arbitrary endpoints, which can reduce overall network stalls and congestion.

Graph Analytics, network topology, interconnect, H↗

Final Project Report: Composition and Realization of Source-to-Sink High-Performance Flows: File Systems, Storage, Hosts, LAN and WAN

A number of Department of Energy (DOE) science applications, involving exascale computing systems and large experimental facilities, are expected to generate large volumes of data, in the range of petabytes to exabytes, which will be transported over wide-area networks for the purpose of storage, visualization, and analysis. The objectives of this proposal are to (1) develop and test the component technologies and their synthesis methods to achieve source-to-sink high-performance flows, and (2) develop tools that provide these capabilities through simple interfaces to users and applications. In terms of the former, we propose to develop (1) optimization methods that align and transition multiple storage flows to multiple network flows on multicore, multibus hosts; and (2) edge and long-haul network path realization and maintenance using advanced provisioning methods including OSCARS and OpenFlow. We also propose synthesis methods that combine these individual technologies to compose high-performance flows using a collection of constituent storage-network flows, and realize them across the storage and local network connections as well as long-haul connections. We propose to develop automated user tools that profile the hosts, storage systems, and network connections; compose the source-to-sink complex flows; and set up and maintain the needed network connections.

97 MATHEMATICS AND COMPUTING↗

Efficient Anomaly Detection Driven By Different Machine Learning Architectures And Models

The rapid growth and ubiquitous adoption of the internet and cyber-physical systems (CPS) have fundamentally transformed modern communication, work, and human-system interactions. While networks now form the backbone of critical digital ecosystems, enabling seamless data transmission across diverse, interconnected systems, this increased connectivity also expands the attack surface, making real-time detection of network intrusions and anomalies a pressing challenge. Detecting unusual activities within network infrastructure requires advanced data traffic analysis to differentiate between legitimate and malicious interactions. Traditional approaches to network anomaly detectionâ??such as rule-based and signature-based systemsâ??often depend on predefined patterns to identify known anomalies, limiting their effectiveness against emerging, stealthy, or previously unseen threats. These conventional methods suffer from high false alarm rates and fail to adapt to the ever-evolving nature of network traffic, particularly in large-scale, decentralized environments where data volume, velocity, and variety are constantly increasing. This dissertation presents artificial intelligence (AI)-driven approaches to anomaly detection that leverage graphics processing unit (GPU)-enabled high-performance computing (HPC) platforms for processing massive network traffic data and monitoring the components of cyber-physical systems (CPS) for potentially hazardous conditions. The research advances several key contributions: (1) Designing efficient machine learning techniques for CPS condition monitoring and anomaly detection; (2) enabling federated learning (FL) frameworks that enable distributed detection while preserving data privacy and system resilience; (3) exploring graph-based methodologies combining graph neural networks (GNN) and graph machine learning (ML) approaches for the Internet of Things (IoT) and automotive network security, and (4) performing distributed edge computing optimizations that integrate FL with scalable technologies for reduced communication overhead. Through extensive experiments, these methodologies demonstrate that complex anomaly detection and condition monitoring tasks can be achieved while balancing computational efficiency and detection accuracy through fine-grained network information processing. The frameworks developed in this research establish a robust foundation for network anomaly detection, providing scalable, adaptive, and privacy-preserving solutions for safeguarding CPS and IoT networks in an increasingly interconnected digital landscape. The practical implications of these research findings are significant, as they can inform the development of next-generation network security systems and contribute to the protection of critical infrastructure against sophisticated cyber attacks.

Marfo, William↗

Geodata Modeling and Query in Geographic Information Systems

Geographic information systems (GIS) deal with collecting, modeling, man- aging, analyzing, and integrating spatial (locational) and non-spatial (attribute) data required for geographic applications. Examples of spatial data are digital maps, administrative boundaries, road networks, and those of non-spatial data are census counts, land elevations and soil characteristics. GIS shares common areas with a number of other disciplines such as computer- aided design, computer cartography, database management, and remote sensing. None of these disciplines however, can by themselves fully meet the requirements of a GIS application. Examples of such requirements include: the ability to use locational data to produce high quality plots, perform complex operations such as network analysis, enable spatial searching and overlay operations, support spatial analysis and modeling, and provide data management functions such as efficient storage, retrieval, and modification of large datasets; independence, integrity, and security of data; and concurrent access to multiple users. It is on the data management issues that we devote our discussions in this monograph. Traditionally, database management technology have been developed for business applications. Such applications require, among other things, capturing the data requirements of high-level business functions and developing machine- level implementations; supporting multiple views of data and yet providing integration that would minimize redundancy and maintain data integrity and security; providing a high-level language for data definition and manipulation; allowing concurrent access to multiple users; and processing user transactions in an efficient manner. The demands on database management systems have been for speed, reliability, efficiency, cost effectiveness, and user-friendliness. Significant progress have been made in all of these areas over the last two decades to the point that many generalized database platforms are now available for developing data intensive applications that run in real-time. While continuous improvement is still being made at a very fast-paced and competitive rate, new application areas such as computer aided design, image processing, VLSI design, and GIS have been identified by many as the next generation of database applications. These new application areas pose serious challenges to the currently available database technology. At the core of these challenges is the nature of data that is manipulated. In traditional database applications, the database objects do not have any spatial dimension, and as such, can be thought of as point data in a multi-dimensional space. For example, each instance of an entity EMPLOYEE will have a unique value corresponding to every attribute such as employee id, employee name, employee address and so on. Thus, every Employee instance can be thought of as a point in a multi-dimensional space where each dimension is represented by an attribute. Furthermore, all operations on such data are one-dimensional. Thus, users may retrieve all entities satisfying one or more constraints. Examples of such constraints include employees with addresses in a certain area code, or salaries within a certain range. Even though constraints can be specified on multiple attributes (dimensions), the search for such data is essentially orthogonal across these dimensions.

Adam, Nabil↗

Supporting data for climatic clustering and longitudinal analysis with impacts on food, bioenergy, and pandemics

This data supports the conclusions found in climatic clustering and longitudinal analysis with impacts on food, bioenergy, and pandemics. Included here are (i) the binarized geolocation vectors used for exhaustive vector comparisons, (ii) the resulting climatic networks, (iii) the results of applying Markov clustering to the climatic networks, and (iv) the results of applying Correlation-of-Correlations (cor-cor) to the climatic networks. The set of binarized geolocation vectors that are used as inputs for the Combinatorial Metrics library (CoMet) are of the form comet-UUUUUxVVVVV-XXXX-YYYY.shuffled.tped where UUUUU is the number of vectors, VVVVV is the length of each vector, XXXX is the starting year, and YYYY is the ending year. Each line corresponds to a geolocation vector of binary elements A (i.e., 0) and T (i.e., 1). The set of climatic networks that are used for downstream network analysis are of the form network-U-way-XXXX-YYYY.parsed.txt where U is the order of the comparison (2-way or 3-way), XXXX is the starting year, and YYYY is the ending year. Each line corresponds to an edge linking two geolocations (defined by latitude and longitude) with its corresponding edge weight (i.e., DUO score). The set of cluster results are of the form clusters-U-way-XXXX-YYYY-thresh-VVVV-inflation-WWW.clustered.txt where U is the order of the comparison (2-way or 3-way), XXXX is the starting year, YYYY is the ending year, VVVV is the similarity threshold, and WWW is the Markov clustering inflation rate. Each line corresponds to a single cluster and is composed of a number of corresponding geolocations (defined by latitude and longitude). The set of cor-cor results are of the form corcor-U-way-XXXX-YYYY.cumulative.txt where U is the order of the comparison (2-way or 3-way), XXXX is the starting year, and YYYY is the ending year. Each line corresponds to a single geolocation with it's corresponding cor-cor value.

54 ENVIRONMENTAL SCIENCES↗

Resolving extreme jet substructure

We study the effectiveness of theoretically-motivated high-level jet observables in the extreme context of jets with a large number of hard sub-jets (up to N = 8). Previous studies indicate that high-level observables are powerful, interpretable tools to probe jet substructure for N ≤ 3 hard sub-jets, but that deep neural networks trained on low-level jet constituents match or slightly exceed their performance. We extend this work for up to N = 8 hard sub-jets, using deep particle-flow networks (PFNs) and Transformer based networks to estimate a loose upper bound on the classification performance. A fully-connected neural network operating on a standard set of high-level jet observables, 135 N-subjetiness observables and jet mass, reach classification accuracy of 86.90%, but fall short of the PFN and Transformer models, which reach classification accuracies of 89.19% and 91.27% respectively, suggesting that the constituent networks utilize information not captured by the set of high-level observables. We then identify additional high-level observables which are able to narrow this gap, and utilize LASSO regularization for feature selection to identify and rank the most relevant observables and provide further insights into the learning strategies used by the constituent-based neural networks. The final model contains only 31 high-level observables and is able to match the performance of the PFN and approximate the performance of the Transformer model to within 2%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A systematic method for selecting molecular descriptors as features when training models for predicting physiochemical properties

Machine learning has proven to be a powerful tool for accelerating biofuel development. Although numerous models are available to predict a range of properties using chemical descriptors, there is a trade-off between interpretability and performance. Neural networks provide predictive models with high accuracy at the expense of some interpretability, while simpler models such as linear regression often lack in accuracy. In addition to model architecture, feature selection is also critical for developing interpretable and accurate predictive models. We present a method for systematically selecting molecular descriptor features and developing interpretable machine learning models without sacrificing accuracy. Our method simplifies the process of selecting features by reducing feature multicollinearity and enables discoveries of new relationships between global properties and molecular descriptors. To demonstrate our approach, we developed models for predicting melting point, boiling point, flash point, yield sooting index, and net heat of combustion with the help of the Tree-based Pipeline Optimization Tool (TPOT). For training, we used publicly available experimental data for up to 8351 molecules. Our models accurately predict various molecular properties for organic molecules (mean absolute percent error (MAPE) ranges from 3.3% to 10.5%) and provide a set of features that are well-correlated to the property. This method enables researchers to explore sets of features that significantly contribute to the prediction of the property, offering new scientific insights. To help accelerate early stage biofuel research and development, we also integrated the data and models into a open-source, interactive web tool.

09 BIOMASS FUELS↗