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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

SBbadger: biochemical reaction networks with definable degree distributions

Abstract Motivation An essential step in developing computational tools for the inference, optimization and simulation of biochemical reaction networks is gauging tool performance against earlier efforts using an appropriate set of benchmarks. General strategies for the assembly of benchmark models include collection from the literature, creation via subnetwork extraction and de novo generation. However, with respect to biochemical reaction networks, these approaches and their associated tools are either poorly suited to generate models that reflect the wide range of properties found in natural biochemical networks or to do so in numbers that enable rigorous statistical analysis. Results In this work, we present SBbadger, a python-based software tool for the generation of synthetic biochemical reaction or metabolic networks with user-defined degree distributions, multiple available kinetic formalisms and a host of other definable properties. SBbadger thus enables the creation of benchmark model sets that reflect properties of biological systems and generate the kinetics and model structures typically targeted by computational analysis and inference software. Here, we detail the computational and algorithmic workflow of SBbadger, demonstrate its performance under various settings, provide sample outputs and compare it to currently available biochemical reaction network generation software. Availability and implementation SBbadger is implemented in Python and is freely available at https://github.com/sys-bio/SBbadger and via PyPI at https://pypi.org/project/SBbadger/. Documentation can be found at https://SBbadger.readthedocs.io. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1983

The 1982 control network of Mars

Attention is given to a planet-wide control network of Mars that was computed in September 1982 using a large single-block analytical triangulation with 47,524 measurements of 6853 control points on 1054 Mariner 9 and 757 Viking pictures. In all, 19,139 normal equations were solved, with a resulting standard error of measurement of 18.06 microns. The control points identified by name and letter designation are given, as are the aerographic coordinates of the control points. In addition, the coordinates of the Viking I lander site are given: latitude, 22.480 deg; longitude, 47.962 deg (radius, 3389.32 km). This study expands and updates the previously published network (1978). It is noted that the computation differs in many respects from standard aerial mapping photogrammetric practice. In comparison with aerial mapping photography, the television formats are small and the focal lengths are long; stereo coverage is rare, the scale of the pictures varies greatly, and the residual camera distortions are large.

Davies, M. E.↗
DOE OSTI2023

Fast uncertainty estimates in deep learning interatomic potentials

Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and material properties. A common short-coming shared by current approaches, however, is that neural networks only give point estimates of their predictions and do not come with predictive uncertainties associated with these estimates. Existing uncertainty quantification efforts have primarily leveraged the standard deviation of predictions across an ensemble of independently trained neural networks. This incurs a large computational overhead in both training and prediction, resulting in order-of-magnitude more expensive predictions. Here, we propose a method to estimate the predictive uncertainty based on a single neural network without the need for an ensemble. This allows us to obtain uncertainty estimates with virtually no additional computational overhead over standard training and inference. We demonstrate that the quality of the uncertainty estimates matches those obtained from deep ensembles. We further examine the uncertainty estimates of our methods and deep ensembles across the configuration space of our test system and compare the uncertainties to the potential energy surface. Finally, we study the efficacy of the method in an active learning setting and find the results to match an ensemble-based strategy at order-of-magnitude reduced computational cost.

Chemistry↗
DOE OSTI2023

Applying Physics-Informed Neural Networks to Solve Navier–Stokes Equations for Laminar Flow around a Particle

In recent years, Physics-Informed Neural Networks (PINNs) have drawn great interest among researchers as a tool to solve computational physics problems. Unlike conventional neural networks, which are black-box models that “blindly” establish a correlation between input and output variables using a large quantity of labeled data, PINNs directly embed physical laws (primarily partial differential equations) within the loss function of neural networks. By minimizing the loss function, this approach allows the output variables to automatically satisfy physical equations without the need for labeled data. The Navier–Stokes equation is one of the most classic governing equations in thermal fluid engineering. This study constructs a PINN to solve the Navier–Stokes equations for a 2D incompressible laminar flow problem. Flows passing around a 2D circular particle are chosen as the benchmark case, and an elliptical particle is also examined to enrich the research. The velocity and pressure fields are predicted by the PINNs, and the results are compared with those derived from Computational Fluid Dynamics (CFD). Additionally, the particle drag force coefficient is calculated to quantify the discrepancy in the results of the PINNs as compared to CFD outcomes. The drag coefficient maintained an error within 10% across all test scenarios.

Hu, Beichao (ORCID:0009000163215151)↗
DOE OSTI2026

Predicting Band-Gap of Inorganic Materials Using Neuromorphic Graph Learning

Predicting properties of inorganic materials is a heavily researched topic, with several new prediction approaches emerging as competitors. One such competitor is graph neural networks, which leverage the structure of the graph to aid in the prediction process. In this work, we propose integration of neuromorphic computation into the graph neural network pipeline. We call this approach Neuromorphic Graph Learning (NGL). We utilize the NGL approach to leverage evolutionary algorithms and a novel Spike Pipeline for Raster Analysis (SPIRE) for the prediction of band gap in inorganic materials.

Mulet, Ian [University of Tennessee (UT)]↗
DOE OSTI2022

Towards Compact Neural Networks via End-to-End Training: A Bayesian Tensor Approach with Automatic Rank Determination

Post-training model compression can reduce the inference costs of deep neural networks, but uncompressed training still consumes enormous hardware resources and energy. To enable low-energy training on edge devices, it is highly desirable to directly train a compact neural network from scratch with a low memory cost. Low-rank tensor decomposition is an effective approach to reduce the memory and computing costs of large neural networks. However, directly training low-rank tensorized neural networks is a very challenging task because it is hard to determine a proper tensor rank a priori, and the tensor rank controls both model complexity and accuracy. Here, this paper presents a novel end-to-end framework for low-rank tensorized training. We first develop a Bayesian model that supports various low-rank tensor formats (e.g., CANDECOMP/PARAFAC, Tucker, tensor-train, and tensor-train matrix) and reduces neural network parameters with automatic rank determination during training. Then we develop a customized Bayesian solver to train large-scale tensorized neural networks. Our training methods shows orders-of-magnitude parameter reduction and little accuracy loss (or even better accuracy) in the experiments. On a very large deep learning recommendation system with over 4.2 ×10 9 model parameters, our method can reduce the parameter number to 1.6 ×10 5 automatically in the training process (i.e., by 2.6 ×10 4 times) while achieving almost the same accuracy. Code is available at https://github.com/colehawkins/bayesian-tensor-rank-determination.

compact neural networks↗
DOE OSTI2020

A Combined Day-ahead and Real-time approach for Scheduling Real and Reactive power dispatch of Battery Energy Storage System

A combined day-ahead (look-ahead) and real-time optimization approach is proposed to schedule BESS real and reactive power dispatch. The look ahead scheduling agent maximizes profit and essentially performs the function of energy arbitrage by looking at forecasted prices, network constraints and BESS operating conditions to generate real power dispatch schedule. While this schedule is followed, the real time optimization agent computes an optimum reactive power set-point (for a particular objective function) using optimal power flow framework. The concepts are implemented by co-simulating legacy tools and demonstrated on a large real world distribution system. In addition to the profits from energy arbitrage, optimum reactive power set point computation results in achieving desirable network attributes like flat voltage profiles and minimizing voltage deviations from desired value.

Bhatti, Bilal A.↗
NASA NTRS1992

High-performance network and channel based storage

In the traditional mainframe-centered view of a computer system, storage devices are coupled to the system through complex hardware subsystems called I/O channels. With the dramatic shift toward workstation-based computing, and its associated client/server model of computation, storage facilities are now found attached to file servers and distributed throughout the network. In this paper, we discuss the underlying technology trends that are leading to high-performance network-based storage, namely advances in networks, storage devices, and I/O controller and server architectures. We review several commercial systems and research prototypes that are leading to a new approach to high-performance computing based on network-attached storage.

Katz, Randy H.↗
NASA NTRS1999

Gene Regulation Networks for Modeling Drosophila Development

This chapter will very briefly introduce and review some computational experiments in using trainable gene regulation network models to simulate and understand selected episodes in the development of the fruit fly, Drosophila Melanogaster.

gene regulation morphogenesis network model↗
NASA NTRS2005

Hot Chips and Hot Interconnects for High End Computing Systems

I will discuss several processors: 1. The Cray proprietary processor used in the Cray X1; 2. The IBM Power 3 and Power 4 used in an IBM SP 3 and IBM SP 4 systems; 3. The Intel Itanium and Xeon, used in the SGI Altix systems and clusters respectively; 4. IBM System-on-a-Chip used in IBM BlueGene/L; 5. HP Alpha EV68 processor used in DOE ASCI Q cluster; 6. SPARC64 V processor, which is used in the Fujitsu PRIMEPOWER HPC2500; 7. An NEC proprietary processor, which is used in NEC SX-6/7; 8. Power 4+ processor, which is used in Hitachi SR11000; 9. NEC proprietary processor, which is used in Earth Simulator. The IBM POWER5 and Red Storm Computing Systems will also be discussed. The architectures of these processors will first be presented, followed by interconnection networks and a description of high-end computer systems based on these processors and networks. The performance of various hardware/programming model combinations will then be compared, based on latest NAS Parallel Benchmark results (MPI, OpenMP/HPF and hybrid (MPI + OpenMP). The tutorial will conclude with a discussion of general trends in the field of high performance computing, (quantum computing, DNA computing, cellular engineering, and neural networks).

Saini, Subhash↗
DOE OSTI2024

Toward quantum networking with frequency-bin qudits

Quantum networking holds tremendous promise in transforming computation and communication. Entangled-photon sources are critical for quantum repeaters and networking, while photonic integrated circuits are vital for miniaturization and scalability. In this talk, we focus on generating and manipulating frequency-bin entangled states within integrated platforms. We encode quantum information as a coherent superposition of multiple optical frequencies; this approach is favorable due to its amenability to high-dimensional entanglement and compatibility with fiber transmission. We successfully generate and measure the density matrix of biphoton frequency combs from integrated silicon nitride microrings, fully reconstructing the state in an 8 × 8 two-qudit Hilbert space, the highest so far for frequency bins. Moreover, we employ Vernier electro-optic phase modulation methods to perform time-resolved measurements of biphoton correlation functions. Currently, we are exploring bidirectional pumping of microrings to generate indistinguishable entangled pairs in both directions, aiming to demonstrate key networking operations such as entanglement swapping and Greenberger–Horne–Zeilinger state generation in the frequency domain.

Myilswamy, Karthik V.↗
NASA NTRS1991

Investigation of air transportation technology at Princeton University, 1990-1991

The Air Transportation Technology Program at Princeton University is a program that emphasizes graduate and undergraduate student research. The program proceeded along six avenues during the past year: microburst hazards to aircraft, intelligent failure tolerant control, computer-aided heuristics for piloted flight, stochastic robustness of flight control systems, neural networks for flight control, and computer-aided control system design.

Stengel, Robert F.↗
NASA NTRS1997

Parallel adaptive mesh refinement techniques for plasticity problems

The accurate modeling of the nonlinear properties of materials can be computationally expensive. Parallel computing offers an attractive way for solving such problems; however, the efficient use of these systems requires the vertical integration of a number of very different software components, we explore the solution of two- and three-dimensional, small-strain plasticity problems. We consider a finite-element formulation of the problem with adaptive refinement of an unstructured mesh to accurately model plastic transition zones. We present a framework for the parallel implementation of such complex algorithms. This framework, using libraries from the SUMAA3d project, allows a user to build a parallel finite-element application without writing any parallel code. To demonstrate the effectiveness of this approach on widely varying parallel architectures, we present experimental results from an IBM SP parallel computer and an ATM-connected network of Sun UltraSparc workstations. The results detail the parallel performance of the computational phases of the application during the process while the material is incrementally loaded.

Barry, W. J.↗
NASA NTRS2008

Simulating Operation of a Complex Sensor Network

Simulation Tool for ASCTA Microsensor Network Architecture (STAMiNA) ["ASCTA" denotes the Advanced Sensors Collaborative Technology Alliance.] is a computer program for evaluating conceptual sensor networks deployed over terrain to provide military situational awareness. This or a similar program is needed because of the complexity of interactions among such diverse phenomena as sensing and communication portions of a network, deployment of sensor nodes, effects of terrain, data-fusion algorithms, and threat characteristics. STAMiNA is built upon a commercial network-simulator engine, with extensions to include both sensing and communication models in a discrete-event simulation environment. Users can define (1) a mission environment, including terrain features; (2) objects to be sensed; (3) placements and modalities of sensors, abilities of sensors to sense objects of various types, and sensor false alarm rates; (4) trajectories of threatening objects; (5) means of dissemination and fusion of data; and (6) various network configurations. By use of STAMiNA, one can simulate detection of targets through sensing, dissemination of information by various wireless communication subsystems under various scenarios, and fusion of information, incorporating such metrics as target-detection probabilities, false-alarm rates, and communication loads, and capturing effects of terrain and threat.

Jennings, Esther↗
NASA NTRS1993

The Vision Machines

The thoughts of computer scientists at LeRC on the direction that computer development is taking and future implications are explored. Experts discuss the coming information superhighway and technologies such as fiber optics and neural networks. The impact of future computers on education, laboratory research, telecommunications, and science visualization.

Source record↗
NASA NTRS1991

NMESys: An expert system for network fault detection

The problem of network management is becoming an increasingly difficult and challenging task. It is very common today to find heterogeneous networks consisting of many different types of computers, operating systems, and protocols. The complexity of implementing a network with this many components is difficult enough, while the maintenance of such a network is an even larger problem. A prototype network management expert system, NMESys, implemented in the C Language Integrated Production System (CLIPS). NMESys concentrates on solving some of the critical problems encountered in managing a large network. The major goal of NMESys is to provide a network operator with an expert system tool to quickly and accurately detect hard failures, potential failures, and to minimize or eliminate user down time in a large network.

Nelson, Peter C.↗
NASA NTRS1995

Performance Evaluation Tools for Next Generation Scalable Computing Platforms

The Federal High Performance and Communications (HPCC) Program continue to focus on R&D in a wide range of high performance computing and communications technologies. Using its accomplishments in the past four years as building blocks towards a Global Information Infrastructure (GII), an Implementation Plan that identifies six Strategic Focus Areas for R&D has been proposed. This white paper argues that a new generation of system software and programming tools must be developed to support these focus areas, so that the R&D we invest today can lead to technology pay-off a decade from now. The Global Computing Infrastructure (GCI) in the Year 2000 and Beyond would consists of thousands of powerful computing nodes connected via high-speed networks across the globe. Users will be able to obtain computing in formation services the GCI with the ease of using a plugging a toaster into the electrical outlet on the wall anywhere in the country. Developing and managing the GO requires performance prediction and monitoring capabilities that do not exist. Various accomplishments in this field today must be integrated and expanded to support this vision.

Yan, Jerry C.↗
NASA NTRS2006

CAISSON: Interconnect Network Simulator

Cray response to HPCS initiative. Model future petaflop computer interconnect. Parallel discrete event simulation techniques for large scale network simulation. Built on WarpIV engine. Run on laptop and Altix 3000. Can be sized up to 1000 simulated nodes per host node. Good parallel scaling characteristics. Flexible: multiple injectors, arbitration strategies, queue iterators, network topologies.

network simulation↗