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Results for “importance sampling”

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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Emulating ab initio computations of infinite nucleonic matter

We construct efficient emulators for the computation of the infinite nuclear matter equation of state. These emulators are based on the subspace-projected coupled-cluster method for which we here develop a new algorithm called small-batch voting to eliminate spurious states that might appear when emulating quantum many-body methods based on a non-Hermitian Hamiltonian. The efficiency and accuracy of these emulators facilitate a rigorous statistical analysis within which we explore nuclear matter predictions for > 10 6 different parametrizations of a chiral interaction model with explicit Δ -isobars at next-to-next-to leading order. Constrained by nucleon-nucleon scattering phase shifts and bound-state observables of light nuclei up to He 4 , we use history matching to identify nonimplausible domains for the low-energy coupling constants of the chiral interaction. Within these domains we perform a Bayesian analysis using sampling and importance resampling with different likelihood calibrations and study correlations between interaction parameters, calibration observables in light nuclei, and nuclear matter saturation properties. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

FIRE: A Failure-Adaptive RL Framework for Edge Computing Migrations

In edge computing, users' service profiles are migrated between edge servers due to user mobility. Reinforcement Learning (RL) frameworks have been proposed to do so, often trained on simulated data. However, existing RL frameworks overlook occasional server failures, which although rare, impact latency-sensitive applications like AR/VR and real- time obstacle detection. These rare failures, being not adequately represented in historical training data, pose a challenge for data-driven RL algorithms. We introduce FIRE, a framework that adapts to rare events by training a RL policy in an edge computing digital twin environment. We propose FIRE-ImRE, an importance sampling-based Q-learning algorithm, which samples rare events proportionally to their impact on the value function. FIRE considers delay, migration, failure, and backup placement costs across individual and shared service profiles. We prove FIRE-ImRE's boundedness and convergence to optimality. Next, we introduce novel deep Q-learning (FIRE-ImDQL) and actor critic (FIRE-ImACRE) versions of our algorithm to enhance scalability. Here, we extend our framework to accommodate users with varying risk tolerances of rare failure events. Through trace-driven experiments, we show that FIRE reduces edge computing costs compared to vanilla RL and the greedy baseline in the event of failures.

Edge computing↗
DOE OSTI2024

Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography

Enzymes populate ensembles of structures necessary for catalysis that are difficult to experimentally characterize. We use time-resolved mix-and-inject serial crystallography at an x-ray free electron laser to observe catalysis in a designed mutant isocyanide hydratase (ICH) enzyme that enhances sampling of important minor conformations. The active site exists in a mixture of conformations, and formation of the thioimidate intermediate selects for catalytically competent substates. The influence of cysteine ionization on the ICH ensemble is validated by determining structures of the enzyme at multiple pH values. Large molecular dynamics simulations in crystallo and time-resolved electron density maps show that Asp 17 ionizes during catalysis and causes conformational changes that propagate across the dimer, permitting water to enter the active site for intermediate hydrolysis. ICH exhibits a tight coupling between ionization of active site residues and catalysis-activated protein motions, exemplifying a mechanism of electrostatic control of enzyme dynamics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Update on NNL TSL Validation Efforts [Slides]

A new sub-thermal neutron transmission capability at RPI LINAC has been used to validate Be (metal). NNL transmission measurements validated NCSU Be and Be+Sd TSLs for ENDF/B-VIII.1 and showed improvements WRT ENDF/B-VII.1 and ENDF/B-VIII.0. Amplitude differences highlighted the importance of sample characterization. Additional measurement is in progress for CY2022. PNDA is being developed as an alternative to critical experiment validation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Inactivation of Fluorescent Lipid Bilayers by Irradiation With 300 keV Electrons Using Liquid Cell Transmission Electron Microscopy

Liquid cell transmission electron microscopy allows for imaging of samples in a fully hydrated state at high resolution and has the potential for visualizing static or dynamic biological structures. However, the ionizing nature of the electron beam makes it difficult to discern real physiological dynamics from radiation induced artifacts within liquid cell samples. Electron flux thresholds for achieving high resolution structures from biological samples frozen in ice have been described extensively by the cryo-electron microscopy field, while electron flux thresholds which do not result in a functional change for biological samples within the hydrated environment of a transmission electron microscope liquid cell is less clear. Establishing these functional thresholds for biologically relevant samples is important for accurate interpretation of results from liquid cell experiments. Here we demonstrate the electron damage threshold of fluorescently tagged lipid bilayers by quantifying the change in fluorescence before and after electron exposure. We observe the reduction of fluorescent signal in bilayers by 25% after only 0.0005 e − /Å 2 and a reduction of over 90% after 0.01 e − /Å 2 . These results indicate that the loss of function occurs at irradiation thresholds far below a typical single high resolution (scanning) transmission electron microscopy image and orders of magnitude below fluxes used for preserving structural features with cryo-electron microscopy.

Moser, Trevor↗
DOE OSTI2025

A Novel Optical Instrument for On-Line Measurement of Particle Size Distribution—Application to Clean Coal Technologies

A flow cell is a critical measurement interface for many optical instruments. However, the flows are often sampled under harsh conditions, such as under high pressure and/or high temperature, in the presence of particles, moisture, vapors with high dew points or corrosive gases. Therefore, obtaining a high-optical-quality flow cell that does not perturb the measurement is a significant challenge. To address this challenge, we proposed a new flow cell that employs a unique laminar coaxial flow field (for the purge and sample flows). A test system was built to conduct particle size distribution (PSD) measurements with no sampling bias using a state-of-the-art analyzer (Malvern Panalytical Insitec). The results revealed that the measurement zone is well defined solely by the sample flow, and the optical windows are well protected by the purge flow, with minimal risk of any depositions from the sample flow. Using this flow cell, the Insitec can successfully measure PSD under high pressure and temperature under moist, corrosive conditions without generating any sampling bias. Importantly, we successfully applied this flow cell for on-line PSD measurement for the flue gas of a 100 kWth pressurized oxy-coal combustor operating at 15 bara.

Cheng, Mao (ORCID:0000000213273900)↗
NASA NTRS1978

A statistical, micromechanical theory of the compressive strength of brittle materials

A general theory of the compressive strength of brittle materials is presented. This theory proposes that failure is brought about by structural weakening from accumulated crack damage which increases with the stress level. The statistics of the flaw distribution and the mechanism of crack initiation and extension are important. A sample calculation using the theory is given to demonstrate its application

Adams, M.↗
NASA NTRS1981

Determination of surface stress by Seasat-SASS - A case study with JASIN data

The values of sea surface stress determined with the dissipation method and those determined with a surface-layer model from observations on F.S. Meteor during the Joint Air-Sea Interaction (JASIN) Experiment are compared with the backscatter coefficients measured by the scatterometer SASS on the satellite Seasat. This study demonstrates that SASS can be used to determine surface stress directly as well as wind speed. The quality of the surface observations used in the calibration of the retrieval algorithms, however, is important. This sample of measurements disagrees with the predictions by the existing wind retrieval algorithm under non-neutral conditions and the discrepancies depend on atmospheric stability.

Liu, W. T.↗
NASA NTRS1997

Determination of Residual Stress in Composite Materials Using Ultrasonic Waves

The performance of high temperature composites can be significantly affected by the presence of residual stresses. These stresses arise during cooling processes from fabrication to room temperature due to mismatch of thermal expansion coefficients between matrix and fiber materials. This effect is especially pronounced in metal matrix and intermetallic composites. It can lead to plastic deformations, matrix cracking and fiber/matrix interface debonding. In this work the feasibility of ultrasonic techniques for residual stress assessment in composites is addressed. A novel technique for absolute stress determination in orthotropic materials from angular dependencies of ultrasonic velocities is described. The technique is applicable for determination of both applied and residual stresses and does not require calibration measurements on a reference sample. The important advantage of this method is that stress is determined simultaneously with stress-dependent elastic constants and is thus decoupled from the material texture. It is demonstrated that when the principal plane stress directions coincide with acoustical axes, the angular velocity data in the plane perpendicular to the stress plane may be used to determine both stress components. When the stress is off the acoustical axes, the shear and the difference of the normal stress components may be determined from the angular dependence of group velocities in the plane of stresses. Synthetic sets of experimental data corresponding to materials with different anisotropy and stress levels are used to check the applicability of the technique. The method is also verified experimentally. A high precision ultrasonic wave transmission technique is developed to measure angular dependence of ultrasonic velocities. Examples of stress determination from experimental velocity data are given. A method is presented for determination of velocities of ultrasonic waves propagating through the composite material with residual stresses. It is based on the generalized self-consistent multiple scattering model. Calculation results for longitudinal and shear ultrasonic wave velocities propagating perpendicular to the fibers direction in SCS-6/Ti composite with and without residual stresses are presented. They show that velocity changes due to presence of stresses are of order 1%.

Rokhlin, S. I.↗
NASA NTRS1997

Uncertainty in Satellite Rainfall Estimates: Time Series Comparison

We examined nine satellite rainfall algorithms and compared the rain fields produced from these algorithms for the period of August 1987 to December 1988. Preliminary results show algorithms which use the same satellite sensor data tend to be similar, suggesting the importance of sampling. Oceanic global mean rainfall ranges from 2.7 to 3.6 mm/d. The variability in zonal mean rain rate is about 1.5-2 mm/d for these algorithms.

Chang, Alfred T. C.↗
NASA NTRS2004

Resistivity of Carbon-Carbon Composites Halved

Carbon-carbon composites have become the material of choice for applications requiring strength and stiffness at very high temperatures (above 2000 C). These composites comprise carbon or graphite fibers embedded in a carbonized or graphitized matrix. In some applications, such as shielding sensitive electronics in very high temperature environments, the performance of these materials would be improved by lowering their electrical resistivity. One method to lower the resistivity of the composites is to lower the resistivity of the graphite fibers, and a proven method to accomplish that is intercalation. Intercalation is the insertion of guest atoms or molecules into a host lattice. In this study the host fibers were highly graphitic pitch-based graphite fibers, or vapor-grown carbon fibers (VGCF), and the intercalate was bromine. Intercalation compounds of graphite are generally thought of as being only metastable, but it has been shown that the residual bromine graphite fiber intercalation compound is remarkably stable, resisting decomposition even at temperatures at least as high as 1000 C. The focus of this work was to fabricate composite preforms, determine whether the fibers they were made from were still intercalated with bromine after processing, and determine the effect on composite resistivity. It was not expected that the resistivity would be lowered as dramatically as with graphite polymer composites because the matrix itself would be much more conductive, but it was hoped that the gains would be substantial enough to warrant its use in high-performance applications. In a collaborative effort supporting a Space Act Agreement between the NASA Glenn Research Center and Applied Sciences, Inc. (Cedarville, OH), laminar preforms were fabricated with pristine and bromine-intercalated pitch-based fibers (P100 and P100-Br) and VGCF (Pyro I and Pyro I-Br). The green preforms were carbonized at 1000 C and then heat treated to 3000 C. To determine whether the fibers in the samples were still intercalated after composite fabrication, they were subjected to X-ray diffraction. The composites containing intercalated graphite fibers showed much higher background scatter than that of pristine fibers, indicating the presence of bromine in the samples. More importantly, faint features indicative of intercalation were visible in the diffraction pattern, showing that the fibers were still intercalated.

Gaier, James R.↗
NASA NTRS2007

Does Comet WILD-2 contain Gems?

It is expected that Comet Wild-2 dust should resemble anhydrous carbon-rich, chondritic porous (CP) interplanetary dust particles (IDPs) collected in the stratosphere because some CP IDPs are suspected to be from comets. The rarity of carbonaceous grains and presolar silicates, as well as the presence of high-temperature inner solar nebula minerals in the Wild-2 sample (e.g. osbornite and melilite), appear incompatible with most CP IDPs. However, it is premature to draw firm conclusions about the mineralogy of comet Wild-2 because only approx. 1% of the sample has been examined. The most abundant silicates in CP IDPs are GEMS (glass with embedded metal and sulfides). Nonsolar O isotopic compositions confirm that at least some GEMS in IDPs are presolar amorphous silicates. The presence or absence of GEMS in the Wild-2 sample is important because it addresses, (a) the relationship between CP IDPs and comets, and (b) the hypothesis that other GEMS in IDPs formed in the solar nebula. Here we show that most of the GEMSlike materials so far identified in Stardust aerogel were likely impact generated during collection. At the nanometer scale, they are compositionally and crystallographically distinct from GEMS in IDPs.

Chi, M.↗
NASA NTRS2011

Antarctic Meteorite Classification and Petrographic Database

The Antarctic Meteorite collection, which is comprised of over 18,700 meteorites, is one of the largest collections of meteorites in the world. These meteorites have been collected since the late 1970's as part of a three-agency agreement between NASA, the National Science Foundation, and the Smithsonian Institution [1]. Samples collected each season are analyzed at NASA s Meteorite Lab and the Smithsonian Institution and results are published twice a year in the Antarctic Meteorite Newsletter, which has been in publication since 1978. Each newsletter lists the samples collected and processed and provides more in-depth details on selected samples of importance to the scientific community. Data about these meteorites is also published on the NASA Curation website [2] and made available through the Meteorite Classification Database allowing scientists to search by a variety of parameters

Todd, Nancy S.↗
NASA NTRS2012

Antarctic Meteorite Classification and Petrographic Database Enhancements

The Antarctic Meteorite collection, which is comprised of over 18,700 meteorites, is one of the largest collections of meteorites in the world. These meteorites have been collected since the late 1970 s as part of a three-agency agreement between NASA, the National Science Foundation, and the Smithsonian Institution [1]. Samples collected each season are analyzed at NASA s Meteorite Lab and the Smithsonian Institution and results are published twice a year in the Antarctic Meteorite Newsletter, which has been in publication since 1978. Each newsletter lists the samples collected and processed and provides more in-depth details on selected samples of importance to the scientific community. Data about these meteorites is also published on the NASA Curation website [2] and made available through the Meteorite Classification Database allowing scientists to search by a variety of parameters. This paper describes enhancements that have been made to the database and to the data and photo acquisition process to provide the meteorite community with faster access to meteorite data concurrent with the publication of the Antarctic Meteorite Newsletter twice a year.

Todd, N. S.↗
NASA NTRS2016

The Outer Solar System Origins Survey: Design and First-Quarter Discoveries - I.

We report the discovery, tracking, and detection circumstances for 85 trans-Neptunian objects (TNOs) from the first 42 square degrees of the Outer Solar System Origins Survey. This ongoing r-band solar system survey uses the 0.9 square degree field of view MegaPrime camera on the 3.6 meter Canada-France-Hawaii Telescope. Our orbital elements for these TNOs are precise to a fractional semimajor axis uncertainty of less than 0.1 percent. We achieve this precision in just two oppositions, as compared to the normal three to five oppositions, via a dense observing cadence and innovative astrometric technique. These discoveries are free of ephemeris bias, a first for large trans-Neptunian surveys. We also provide the necessary information to enable models of TNO orbital distributions to be tested against our TNO sample. We confirm the existence of a cold "kernel" of objects within the main cold classical Kuiper Belt and infer the existence of an extension of the "stirred" cold classical Kuiper Belt to at least several au beyond the 2:1 mean motion resonance with Neptune. We find that the population model of Petit et al. remains a plausible representation of the Kuiper Belt. The full survey, to be completed in 2017, will provide an exquisitely characterized sample of important resonant TNO populations, ideal for testing models of giant planet migration during the early history of the solar system.

Bannister, Michele T.↗
DOE OSTI2023

Evolution of Scenario Generation Capabilities in the ExaSGD Project

High-fidelity renewable energy scenarios and rare-event high-impact contingencies are essential for modeling operations and infrastructure expansion of the next generation power grids using exascale computing resources. As the ExaSGD project progressed, our capabilities for generating scenarios for modeling wind power output at multiple wind farms significantly improved, evolving from the use of independent random perturbations to importance sampling-based techniques capturing representative spatial-temporal relations. Contingency generation also improved, evolving from standard N-1 techniques to probabilistic models of infrastructure damage resulting from extreme weather events. We review the developments in the realistic intermittent-energy scenario forecasting and extreme-event contingency creation as the ExaSGD project progressed and discuss the future work in these areas.

economic dispatch↗
DOE OSTI2021

Exploring the Value of Nodes with Multicommunity Membership for Classification with Graph Convolutional Neural Networks

Sampling is an important step in the machine learning process because it prioritizes samples that help the model best summarize the important concepts required for the task at hand. The process of determining the best sampling method has been rarely studied in the context of graph neural networks. In this paper, we evaluate multiple sampling methods (i.e., ascending and descending) that sample based off different definitions of centrality (i.e., Voterank, Pagerank, degree) to observe its relation with network topology. We find that no sampling method is superior across all network topologies. Additionally, we find situations where ascending sampling provides better classification scores, showing the strength of weak ties. Two strategies are then created to predict the best sampling method, one that observes the homogeneous connectivity of the nodes, and one that observes the network topology. In both methods, we are able to evaluate the best sampling direction consistently.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

XSub: Explanation-Driven Adversarial Attack against Blackbox Classifiers via Feature Substitution

Despite its significant benefits in enhancing the transparency and trustworthiness of artificial intelligence (AI) systems, explainable AI (XAI) can unintentionally provide adversaries with insights into blackbox models, increasing their vulnerability to various attacks. In this paper, we develop a novel explanation-driven adversarial attack against blackbox classifiers based on feature substitution, called XSub. The key idea of XSub is to strategically replace important features (identified via XAI) in the original sample with corresponding important features of a different label, thereby increasing the likelihood of the model misclassifying the perturbed sample. XSub only requires a minimal number of queries and can be easily extended to launch backdoor attacks in case the attacker has access to the model's training data. Our evaluation shows that XSub is not only effective and stealthy but also low-cost, showcasing its feasibility across a wide range of AI applications.

adversarial attack↗