Coherent Blending of Biophysics-Based Knowledge with Bayesian Neural Networks for Robust Protein Property Prediction
Not provided.
Biochemistry & Molecular Biology↗
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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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Final Report: Filling Knowledge Gaps in Biological Networks: Integrated Global Approaches to Understand H 2 Metabolism in Chlamydomonas Reinhardtii
The major goal of our part of this project has been to generate mutants in fermentation metabolism and begin to decipher how lesions in the pathways associated with fermentation metabolism impact both H 2 production and the production of other metabolites that accumulate as cells become anoxic. We are also trying to understand how metabolic pathways are regulated as O 2 in the environment becomes depleted.
59 BASIC BIOLOGICAL SCIENCES↗
Knowledge processing using neural networks
Explore the source record for details and available documents.
Cruz, Claude A.↗
Learning Search Control Knowledge for Deep Space Network Scheduling
While the general class of most scheduling problems is NP-hard in worst-case complexity, in practice, for specific distributions of problems and constraints, domain-specific solutions have been shown to perform in much better than exponential time.
Deep Space Network Search Control↗
Knowledge represented using RDF semantic network in the concept of semantic web
The RDF(S) model has been declared as the basic model to capture knowledge of the semantic web. It provides a common and flexible way to decompose composed knowledge to elementary statements, which can be represented by RDF triples or by RDF graph vectors. From the logical point of view, elements of knowledge can be expressed using at most binary predicates, which can be converted to RDF-triples or graph vectors. However, it is not able to capture implicit knowledge representable by logical formulas. This contribution shows how existing approaches (semantic networks and clausal form logic) can be combined together with RDF to obtain RDF-compatible system with ability to represent implicit knowledge and inference over knowledge base.
97 MATHEMATICS AND COMPUTING↗
Training Knowledge Bots for Physics-Based Simulations Using Artificial Neural Networks
Millions of complex physics-based simulations are required for design of an aerospace vehicle. These simulations are usually performed by highly trained and skilled analysts, who execute, monitor, and steer each simulation. Analysts rely heavily on their broad experience that may have taken 20-30 years to accumulate. In addition, the simulation software is complex in nature, requiring significant computational resources. Simulations of system of systems become even more complex and are beyond human capacity to effectively learn their behavior. IBM has developed machines that can learn and compete successfully with a chess grandmaster and most successful jeopardy contestants. These machines are capable of learning some complex problems much faster than humans can learn. In this paper, we propose using artificial neural network to train knowledge bots to identify the idiosyncrasies of simulation software and recognize patterns that can lead to successful simulations. We examine the use of knowledge bots for applications of computational fluid dynamics (CFD), trajectory analysis, commercial finite-element analysis software, and slosh propellant dynamics. We will show that machine learning algorithms can be used to learn the idiosyncrasies of computational simulations and identify regions of instability without including any additional information about their mathematical form or applied discretization approaches.
Samareh, Jamshid A.↗
Enabling Innovation and Collaboration Across Geography and Culture: A Case Study of NASA's Systems Engineering Community of Practice
In 2004, NASA faced major knowledge sharing challenges due to geographically isolated field centers that inhibited personnel from sharing experiences and ideas. Mission failures and new directions for the agency demanded better collaborative tools. In addition, with the push to send astronauts back to the moon and to Mars, NASA recognized that systems engineering would have to improve across the agency. Of the ten field centers, seven had not built a spacecraft in over 30 years, and had lost systems engineering expertise. The Systems Engineering Community of Practice came together to capture the knowledge of its members using the suite of collaborative tools provided by the NASA Engineering Network (NEN.) The NEN provided a secure collaboration space for over 60 practitioners across the agency to assemble and review a NASA systems engineering handbook. Once the handbook was complete, they used the open community area to disseminate it. This case study explores both the technology and the social networking that made the community possible, describes technological approaches that facilitated rapid setup and low maintenance, provides best practices that other organizations could adopt, and discusses the vision for how this community will continue to collaborate across the field centers to benefit the agency as it continues exploring the solar system.
NEN↗
Toward a Unified Routing Framework for Delay-Tolerant Networking
Routing in Delay-/Disruption-Tolerant Networking (DTN) has long been recognized as a challenging research topic. The difficulty lies in the fact that link intermittency and network partitioning, possibly coupled with long delays, prevent the use of Internet solutions based on an up-to-date comprehensive knowledge of network topology, as communicated by routing protocols. In the literature on DTN routing, there is a dichotomy between solutions designed for deterministic (e.g., space flight) networks, such as Contact Graph Routing (CGR), and the wide variety of protocols designed for opportunistic terrestrial networks. After a discussion of the origin and motivations of this duality, the paper presents an opportunistic extension of CGR (OCGR). The aim is to try to resolve the DTN routing dichotomy by providing a unified approach suitable for all DTN environments.
Routing↗
Evaluation of Data Catalog Software for Hanford Site Environmental Datasets
Environmental information and data underpin achievement of the U.S. Department of Energy (DOE) Office of Environmental Management (EM) mission at the Hanford Site. The Hanford Environmental Data Management (HEDM) Program is the DOE Richland Operations Office (RL) approach to develop and implement a formal program for managing environmental data and the associated records, materials, and systems at the Hanford Site. The current project, contract, organization, and contractor-specific efforts at managing environmental data sets are insufficient to provide orderly, long-term, site-wide access. A vital element to be created within the HEDM program plan is a catalog of data sources, called the Hanford Environmental Information and Data Index (HEIDI), that will enable long-term access and retrievability for the multiple independent sources of data that might otherwise be difficult to discover. This report compares leading open source and commercial data catalog platforms using criteria to assess the functionality needed to develop the HEIDI catalog of Hanford data sources that connects and exchanges data with established Hanford Local Area Network (HLAN) enterprise information technology systems. Proprietary platforms evaluated included ArcGIS Enterprise Sites, Junar, OpenDataSoft, and Socrata, and non-proprietary platforms included Energy Data eXchange (EDX), Comprehensive Knowledge Archive Network (CKAN), and DKAN (a Drupal-based open data portal based on CKAN). Capabilities supporting data discoverability, retrieval, and archival, as well as metadata standard requirements and integration into the HLAN were rated as either failing to meet requirements (F), meeting requirements (M), or exceeding requirements by delivering additional desired features (E). The lowest rating for any capability area was assigned as the overall rating for the platform. These findings enable DOE-RL and the contractors implementing the HEDM plan to focus on candidate tools likely to meet the requirements for implementing HEIDI. All of the platforms receiving an overall rating of ‘F’ were unable to be deployed on Hanford infrastructure or within dedicated cloud resources. A propriety software-as-a-service (SaaS) model of delivering a data catalog (e.g., found in software such as Junar and OpenDataSoft) favors consistency across customers at the expense of customization and configurable roles that are needed for Hanford work. Hosting data on a shared commercial platform places limits on dataset size (maximum of 240 Mb for OpenDataSoft), a significant limitation for HEIDI implementation. EDX, a government data catalog based on CKAN, received the ‘F’ rating due to an inability to incorporate authentication from HLAN into the system. Among platforms rated ‘M’ or ‘E’, only the Socrata platform had a SaaS delivery model. In contrast to other SaaS platforms, Socrata provided custom roles and gateways that allow local datasets to be incorporated into an online catalog. Socrata also complies with the Federal Risk and Authorization Management Program, a significant benefit for cloud-based management of Hanford data. The other platforms rated ‘M’ or ‘E’, ArcGIS Enterprise Sites, CKAN, and DKAN, provide fully self-hosted options, allowing for greater control and flexibility with the HEIDI catalog. These widely used tools have supportive communities of practice, extensive customization options, and demonstrated deployments that provide evidence that they can meet requirements, often deliver additional desired features, and work well with federal government systems. Completely customized alternatives built on a collection of applications were not evaluated because achieving similar performance to CKAN or DKAN requires substantial resources, especially in the absence of the active communities that have grown to support these tools. ArcGIS Enterprise Sites, Socrata, CKAN, and DKAN were evaluated as strong candidates for successful implementation with HEIDI.
54 ENVIRONMENTAL SCIENCES↗
Developing A Web-based User Interface for Semantic Information Retrieval
While there are now a number of languages and frameworks that enable computer-based systems to search stored data semantically, the optimal design for effective user interfaces for such systems is still uncle ar. Such interfaces should mask unnecessary query detail from users, yet still allow them to build queries of arbitrary complexity without significant restrictions. We developed a user interface supporting s emantic query generation for Semanticorganizer, a tool used by scient ists and engineers at NASA to construct networks of knowledge and dat a. Through this interface users can select node types, node attribute s and node links to build ad-hoc semantic queries for searching the S emanticOrganizer network.
Berrios, Daniel C.↗
Transportation Network Topologies
A discomforting reality has materialized on the transportation scene: our existing air and ground infrastructures will not scale to meet our nation's 21st century demands and expectations for mobility, commerce, safety, and security. The consequence of inaction is diminished quality of life and economic opportunity in the 21st century. Clearly, new thinking is required for transportation that can scale to meet to the realities of a networked, knowledge-based economy in which the value of time is a new coin of the realm. This paper proposes a framework, or topology, for thinking about the problem of scalability of the system of networks that comprise the aviation system. This framework highlights the role of integrated communication-navigation-surveillance systems in enabling scalability of future air transportation networks. Scalability, in this vein, is a goal of the recently formed Joint Planning and Development Office for the Next Generation Air Transportation System. New foundations for 21PstP thinking about air transportation are underpinned by several technological developments in the traditional aircraft disciplines as well as in communication, navigation, surveillance and information systems. Complexity science and modern network theory give rise to one of the technological developments of importance. Scale-free (i.e., scalable) networks represent a promising concept space for modeling airspace system architectures, and for assessing network performance in terms of scalability, efficiency, robustness, resilience, and other metrics. The paper offers an air transportation system topology as framework for transportation system innovation. Successful outcomes of innovation in air transportation could lay the foundations for new paradigms for aircraft and their operating capabilities, air transportation system architectures, and airspace architectures and procedural concepts. The topology proposed considers air transportation as a system of networks, within which strategies for scalability of the topology may be enabled by technologies and policies. In particular, the effects of scalable ICNS concepts are evaluated within this proposed topology. Alternative business models are appearing on the scene as the old centralized hub-and-spoke model reaches the limits of its scalability. These models include growth of point-to-point scheduled air transportation service (e.g., the RJ phenomenon and the 'Southwest Effect'). Another is a new business model for on-demand, widely distributed, air mobility in jet taxi services. The new businesses forming around this vision are targeting personal air mobility to virtually any of the thousands of origins and destinations throughout suburban, rural, and remote communities and regions. Such advancement in air mobility has many implications for requirements for airports, airspace, and consumers. These new paradigms could support scalable alternatives for the expansion of future air mobility to more consumers in more places.
Holmes, Bruce J.↗
Transportation Network Topologies
A discomforting reality has materialized on the transportation scene: our existing air and ground infrastructures will not scale to meet our nation's 21st century demands and expectations for mobility, commerce, safety, and security. The consequence of inaction is diminished quality of life and economic opportunity in the 21st century. Clearly, new thinking is required for transportation that can scale to meet to the realities of a networked, knowledge-based economy in which the value of time is a new coin of the realm. This paper proposes a framework, or topology, for thinking about the problem of scalability of the system of networks that comprise the aviation system. This framework highlights the role of integrated communication-navigation-surveillance systems in enabling scalability of future air transportation networks. Scalability, in this vein, is a goal of the recently formed Joint Planning and Development Office for the Next Generation Air Transportation System. New foundations for 21st thinking about air transportation are underpinned by several technological developments in the traditional aircraft disciplines as well as in communication, navigation, surveillance and information systems. Complexity science and modern network theory give rise to one of the technological developments of importance. Scale-free (i.e., scalable) networks represent a promising concept space for modeling airspace system architectures, and for assessing network performance in terms of scalability, efficiency, robustness, resilience, and other metrics. The paper offers an air transportation system topology as framework for transportation system innovation. Successful outcomes of innovation in air transportation could lay the foundations for new paradigms for aircraft and their operating capabilities, air transportation system architectures, and airspace architectures and procedural concepts. The topology proposed considers air transportation as a system of networks, within which strategies for scalability of the topology may be enabled by technologies and policies. In particular, the effects of scalable ICNS concepts are evaluated within this proposed topology. Alternative business models are appearing on the scene as the old centralized hub-and-spoke model reaches the limits of its scalability. These models include growth of point-to-point scheduled air transportation service (e.g., the RJ phenomenon and the Southwest Effect). Another is a new business model for on-demand, widely distributed, air mobility in jet taxi services. The new businesses forming around this vision are targeting personal air mobility to virtually any of the thousands of origins and destinations throughout suburban, rural, and remote communities and regions. Such advancement in air mobility has many implications for requirements for airports, airspace, and consumers. These new paradigms could support scalable alternatives for the expansion of future air mobility to more consumers in more places.
Holmes, Bruce J.↗
AWB-GCN: A Graph Convolutional Network Accelerator with Runtime Workload Rebalancing
The recent development of deep learning has been mostly focusing on Euclidean data, such as images, videos, audios, etc. However, most real-world information and relation are often expressed as graphs. To efficiently learn from graph data, graph convolutional networks (GCNs) emerge as a promising approach, showing advantages in several practical applications such as social network analysis, knowledge discovery, 3D modeling, motion capturing, etc. Real-world graphs are usually extremely large and imbalanced, posting significant performance demand and design challenges on the hardware dedicated for GCN inference. In this paper, we propose an architecture design called UW-GCN to accelerate graph convolutional network inference. To tackle the major performance bottleneck from workload imbalance, we propose dynamic neighborhood stealing and remote chunk shuffling techniques, relying on hardware flexibility to achieve hardware auto-tuning under negligible area or delay overhead. Specifically, UW-GCN is able to smartly profile the sparse graph pattern while continuously adjusting the workload distribution via routing reconfiguration among parallel processing elements (PEs). The ideal configuration is then reused in the remaining iterations. To the best of our knowledge, this is the first accelerator design particularly for GCN and the first work relying on hardware auto-tuning, which is normally based on software, to achieve near-optimal workload balance in processing sparse structures.
Geng, Tong↗
Constellation: A science graph network for scalable data and knowledge discovery in extreme-scale scientific collaborations
Constellation's overarching goal is the federation of information from resources within an extreme-scale scientific collaboration to enable the scalable discovery of data and new knowledge pathways. The resource fabric is comprised of petascale supercomputers and storage systems, users, jobs, datasets and lifecycle artifacts. For an extreme-scale supercomputing center, normal operations can generate hundreds of millions of data products and metadata entries describing the resource fabric. Constellation federates the information extracted from the resources using a custom, transformative science graph network; constructs rich metadata indexes and higher-order derived metadata from the extracted information; and conducts scalable graph analytics to unravel hidden data pathways. Our implementation and deployment for a production, supercomputing facility shows that the graph can scale to more than 750 million vertices, its domain agnostic indexing can answer interesting science queries, and its analytics can aid in structural, topological and temporal analysis to identify usage hotspots.
Vazhkudai, Sudharshan S.↗
Probabilistic Modeling of Microbial Metabolic Networks for Integrating Partial Quantitative Knowledge Within the Nitrogen Cycle
Understanding the interactions between microbial communities and their environment sufficiently to predict diversity on the basis of physicochemical parameters is a fundamental pursuit of microbial ecology that still eludes us. However, modeling microbial communities is problematic, because (i) communities are complex, (ii) most descriptions are qualitative, and (iii) quantitative understanding of the way communities interact with their surroundings remains incomplete. One approach to overcoming such complications is the integration of partial qualitative and quantitative descriptions into more complex networks. Here we outline the development of a probabilistic framework, based on Event Transition Graph (ETG) theory, to predict microbial community structure across observed chemical data. Using reverse engineering, we derive probabilities from the ETG that accurately represent observations from experiments and predict putative constraints on communities within dynamic environments. These predictions can feedback into the future development of field experiments by emphasizing the most important functional reactions, and associated microbial strains, required to characterize microbial ecosystems.
59 BASIC BIOLOGICAL SCIENCES↗
Measurement-based investigation of inter- and intra-area effects of wind power plant integration
Not Available
Allen, Alicia J.↗
Extended real-time voltage instability identification method based on synchronized phasor measurements
This paper presents an extended adaptive approach designed to accurately estimate the Thévenin equivalent parameters using phasor measurements at a given bus for measurements lying in any of four quadrants of the PQ-plane. The improvement is achieved by using a new condition to properly update the estimated parameters after an initial guess. Based on an adaptive philosophy, the proposed approach can correctly account for the intrinsic nonlinearities of a power system, can provide a real-time estimation of Thévenin parameters, and does not require network topology knowledge. The method is validated using the Kundur 2-area system, showing estimation improvements compared to the current adaptive approach and the classical recursive least-squares method. The proposed approach is able to estimate both sides of the system with respect to the measurement bus. In addition, a data-driven voltage stability index is developed. To illustrate the performance of the proposed approach in a larger power system, a voltage stability assessment is carried out on the IEEE 39-bus system, considering the action of overexcitation limiters of generators and nonlinear loads. The proposed approach is suitable for applications that require an accurate Thévenin equivalent estimation in real-time, such as for voltage stability assessment. The new approach provides a reliable tool for the system operators to make proper and timely decisions.
42 ENGINEERING↗
Frequency Shaping Control for Weakly-Coupled Grid-Forming IBRs
Here, we consider the problem of controlling the frequency of low-inertia power systems via inverter-based resources (IBRs) that are weakly connected to the grid. We propose a novel grid-forming control strategy, the so-called frequency shaping control, that aims to shape the frequency response of synchronous generators (SGs) to load perturbations so as to efficiently arrest sudden frequency drops. Our solution relaxes several existing assumptions in the literature and is able to navigate trade-offs between peak power requirements and maximum frequency deviations. Finally, we analyze the robustness to imperfect knowledge of network parameters, while particularly highlighting the importance of accurate estimation of these parameters.
24 POWER TRANSMISSION AND DISTRIBUTION↗