SEARCH · Search NASA

Results for “Spatial Generative Model”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery

We developed Distilled Graph Attention Policy Network (DGAPN), a reinforcement learning model to generate novel graph-structured chemical representations that optimize user-defined objectives by efficiently navigating a physically constrained domain. The framework is examined on the task of generating molecules that are designed to bind, noncovalently, to functional sites of SARS-CoV-2 proteins. We present a spatial Graph Attention (sGAT) mechanism that leverages self-attention over both node and edge attributes as well as encoding the spatial structure --- this capability is of considerable interest in synthetic biology and drug discovery. An attentional policy network is introduced to learn the decision rules for a dynamic, fragment-based chemical environment, and state-of-the-art policy gradient techniques are employed to train the network with stability. Exploration is driven by the stochasticity of the action space design and the innovation reward bonuses learned and proposed by random network distillation. In experiments, our framework achieved outstanding results compared to state-of-the-art algorithms, while reducing the complexity of paths to chemical synthesis.

Wu, Yulun↗

DOE OSTI2022

SPATIAL GRAPH ATTENTION AND CURIOSITY-DRIVEN POLICY FOR ANTIVIRAL DRUG DISCOVERY

We developed Distilled Graph Attention Policy Network (DGAPN), a reinforcement learning model to generate novel graph-structured chemical representations that optimize user-defined objectives by efficiently navigating a physically constrained domain. The framework is examined on the task of generating molecules that are designed to bind, noncovalently, to functional sites of SARS-CoV-2 proteins. We present a spatial Graph Attention (sGAT) mechanism that leverages self-attention over both node and edge attributes as well as encoding the spatial structure - this capability is of considerable interest in synthetic biology and drug discovery. An attentional policy network is introduced to learn the decision rules for a dynamic, fragment-based chemical environment, and state-of-the-art policy gradient techniques are employed to train the network with stability. Exploration is driven by the stochasticity of the action space design and the innovation reward bonuses learned and proposed by random network distillation. In experiments, our framework achieved outstanding results compared to state-of-the-art algorithms, while reducing the complexity of paths to chemical synthesis.

Wu, Y↗

DOE OSTI2024

Generation of Large-Volume High-Pressure Plasma by Spatio-Temporal Control of Space Charge

Due to the fundamental limitations of scaling, very little progress has been made towards achieving a large-volume dense non-equilibrium plasma near atmospheric pressures. Commercially available state-of-the art glow-like atmospheric plasma devices for industrial applications are either narrow tubes or wide slits with narrow openings. Often multiple sources are put together in various configurations to process larger surfaces. The traditional methods of exciting electrodes create spatially fixed electric fields. As a result, the space charge at atmospheric pressure tends to be spatially confined resulting in non-uniformity which eventually leads to instability as the discharge is scaled. Theoretical work done under this project showed that it is possible to generate a spatially rotating electric field by exciting a set of electrodes with phase staggered sinusoidal waveforms. The modeling and simulations were done using plasma fluid models. It was shown that such a field can produce a uniform plasma. At the conclusion of the project, experimental proof of concept with an eight-electrode system in various gases (Air, Helium and Argon) was demonstrated. Power measurements and spectral investigation show that the concept can be used to generate a uniform stable plasma. This plasma source has the potential of opening new applications of nonthermal plasma including combustion of carbon-free fuel. The current limitation of the proposed method in scaling to higher volume and pressure is the need for multiple high voltage amplifiers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Modeling the impact of extreme summer drought on conventional and renewable generation capacity: Methods and a case study on the Eastern U.S. power system

Across recent years, there has been a growing prevalence of extreme weather events throughout the United States, posing significant challenges to the reliable and resilient operation of power systems. Specifically, summer droughts threaten to severely reduce available generation capacity to meet regional electricity demand, potentially leading to power outages. This underscores the importance of accurate resource adequacy (RA) assessment to ensure the reliable operation of the nation’s energy infrastructure. Accurately evaluating the usable capacity of regional generation fleets is a challenging undertaking due to the intricate interactions between power systems and hydro-climatic systems. Here, this paper proposes a systematic and analytical framework to evaluate the impacts of extreme summer drought events on the available capacity of various generating technologies, incorporating both meteorological and hydrologic factors. The framework provides detailed plant-level capacity derating models for hydroelectric, thermoelectric, and renewable power plants, facilitating evaluations with high temporal and spatial resolution. The application of the proposed impact assessment framework to the 2025 generation fleet of the real-world power system within the PJM and SERC regions of the United States yields insightful results. By analyzing the daily usable capacity of 6,055 at-risk generators across the study region, it shows that the summer capacity deration is most significant for hydroelectric and once-through thermal power plants, followed by recirculating thermal power plants and combustion turbines. In the event of the recurrence of the 2007 southeastern summer drought event in the near future, the generation fleet could experience a substantial reduction in available capacity, estimated at approximately 8.5 GW, compared to typical summer conditions. The sensitivity analysis reveals that the usable capacity of the generation fleet would suffer an even more significant decrease under conditions of increasingly severe summer droughts. The proposed approach and the findings of this study provide valuable methodologies and insights, empowering stakeholders to bolster the resilience of power systems against the potentially devastating effects of future extreme drought events.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Estimating posterior quantity of interest expectations in a multilevel scalable framework

Scalable approaches for uncertainty quantification are necessary for characterizing prediction confidence in large-scale subsurface flow simulations with uncertain permeability. To this end we explore a multilevel Monte Carlo approach for estimating posterior moments of a particular quantity of interest, where we employ an element-agglomerated algebraic multigrid (AMG) technique to generate the hierarchy of coarse spaces with guaranteed approximation properties for both the generation of spatially correlated random fields and the forward simulation of Darcy's law to model subsurface flow. In both these components (sampling and forward solves), we exploit solvers that rely on state-of-the-art scalable AMG. To illustrate the applicability of this approach, numerical tests are performed on two 3D examples-a unit cube and an egg-shaped domain with an irregular boundary-where the scalability of each simulation as well as the scalability of the overall algorithm are demonstrated.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Global monthly sectoral water use for 2010–2100 at 0.5° resolution across alternative futures

Water usage is closely linked with societal goals that are both local and global in scale, such as sustainable development and economic growth. It is therefore of value, particularly for long-term planning, to understand how future sectoral water usage could evolve on a global scale at fine resolution. Additionally, future water usage could be strongly shaped by global forces, such as socioeconomic and climate change, and the multi-sector dynamic interactions those forces create. We generate a novel global gridded monthly sectoral water withdrawal and consumption dataset at 0.5° resolution for 2010–2100 for a diverse range of 75 scenarios. The scenarios are harmonized with the five Shared Socioeconomic Pathways (SSPs) and four Representative Concentration Pathways (RCPs) scenarios to support its usage in studies evaluating the implications of uncertain human and earth system change for future global and regional dynamics. To generate the data, we couple the Global Change Analysis Model (GCAM) with a land use spatial downscaling model (Demeter), a global hydrologic framework (Xanthos), and a water withdrawal downscaling model (Tethys).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

MetaFlux: Meta-learning global carbon fluxes from sparse spatiotemporal observations

We provide a global, long-term carbon flux dataset of gross primary production and ecosystem respiration generated using meta-learning, called MetaFlux. The idea behind meta-learning stems from the need to learn efficiently given sparse data by learning how to learn broad features across tasks to better infer other poorly sampled ones. Using meta-trained ensemble of deep models, we generate global carbon products on daily and monthly timescales at a 0.25-degree spatial resolution from 2001 to 2021, through a combination of reanalysis and remote-sensing products. Site-level validation finds that MetaFlux ensembles have lower validation error by 5–7% compared to their non-meta-trained counterparts. In addition, they are more robust to extreme observations, with 4–24% lower errors. We also checked for seasonality, interannual variability, and correlation to solar-induced fluorescence of the upscaled product and found that MetaFlux outperformed other machine-learning based carbon product, especially in the tropics and semi-arids by 10–40%. Overall, MetaFlux can be used to study a wide range of biogeochemical processes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Correction and verification of x-ray imaging crystal spectrometer analysis on Wendelstein 7-X through x-ray ray tracing

X-ray ray tracing is used to develop ion-temperature corrections for the analysis of the X-ray Imaging Crystal Spectrometer (XICS) used at Wendelstein 7-X (W7-X) and perform verification on the analysis methods. The XICS is a powerful diagnostic able to measure ion-temperature, electron-temperature, plasma flow, and impurity charge state densities. While these systems are relatively simple in design, accurate characterization of the instrumental response and validation of analysis techniques are difficult to perform experimentally due to the requirement of extended x-ray sources. For this reason, a ray tracing model has been developed that allows characterization of the spectrometer and verification of the analysis methods while fully considering the real geometry of the XICS system and W7-X plasma. Through the use of ray tracing, several important corrections have been found that must be accounted for in order to accurately reconstruct the ion-temperature profiles. The sources of these corrections are described along with their effect on the analyzed profiles. The implemented corrections stem from three effects: (1) effect of sub-pixel intensity distribution during de-curving and spatial binning, (2) effect of sub-pixel intensity distribution during forward model evaluation and generation of residuals, and (3) effect of defocus and spherical aberrations on the instrumental response. Possible improvements to the forward model and analysis procedures are explored, along with a discussion of trade-offs in terms of computational complexity. Finally, the accuracy of the tomographic inversion technique in stellarator geometry is investigated, providing for the first time a verification exercise for inversion accuracy in stellarator geometry and a complete XICS analysis tool-chain.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

IAM-FIRE: a Climate Emulator–Based Framework to Project Wildfire Impacts and Risks for Integrated Assessment Models

Most Integrated Assessment Models (IAMs) underrepresent dynamic feedbacks from climate-driven disturbances such as wildfires, potentially overestimating the permanence of land-based carbon sinks. In particular, representing the impacts of forest fires is becoming increasingly important, as these are expected to intensify in the coming years. We introduce IAM-FIRE (Integrated Assessment Model – Fire Impacts & Risks Emulator), a novel framework that enables the projection of wildfire burned area (BA) and carbon emissions (CE) directly from IAM outputs. IAM-FIRE combines a spatial climate emulator, land-use downscaling, vegetation productivity modelling, and an empirical fire model to generate global annual wildfire impacts for arbitrary socioeconomic and emissions scenarios at 0.5° resolution for the period 2020–2100. Calibrated against GFEDv5 observations and using inputs from the Global Change Analysis Model (GCAM), we report projections BA and CE derived from IAM-FIRE for four scenarios: SSP1-2.6, SSP2-4.5, SSP3-6.6 and SSP5-7.6. The model reproduces historical global trends for total BA, including the observed global decline since the early 2000s, and for forest BA. Projected fire trajectories differ strongly among scenarios: total BA range from declines under SSP1-2.6 (-3.36 Mha yr-1) to increases under SSP3-6.6 (+1.6 Mha yr-1). Corresponding total CE show a similar divergence ranging from -15 to +10.6 TgC yr-1. Socioeconomic development exerts a dominant suppressing effect on wildfire impacts while climate change and CO2-driven increases in vegetation productivity amplify fire risk, particularly under high-emissions pathways. Compared with CMIP6 fire-enabled Earth System Models, IAM-FIRE exhibits greater sensitivity to radiative forcing and a stronger role for human-driven fire suppression, highlighting substantial structural uncertainties in future fire projections. By providing a computationally efficient and internally consistent approach to represent wildfire impacts within IAMs, IAM-FIRE enables systematic exploration of fire–climate–land feedbacks and supports improved assessments of mitigation permanence and climate risks in future integrated scenarios.

Rouhette, Theo↗

DOE OSTI2022

Historical Emissions - shipping emission perturbation data

Version of previously released anthropogenic SO2 emissions data re-generated with altered spatial distributions for shipping emissions for use in the Emissions-MIP model inter-comparison project. Also included are 30% and 60% global reductions in shipping SO2 emissions.

Ahsan, Hamza↗

NASA NTRS1987

A hierarchical structure for automatic meshing and adaptive FEM analysis

A new algorithm for generating automatically, from solid models of mechanical parts, finite element meshes that are organized as spatially addressable quaternary trees (for 2-D work) or octal trees (for 3-D work) is discussed. Because such meshes are inherently hierarchical as well as spatially addressable, they permit efficient substructuring techniques to be used for both global analysis and incremental remeshing and reanalysis. The global and incremental techniques are summarized and some results from an experimental closed loop 2-D system in which meshing, analysis, error evaluation, and remeshing and reanalysis are done automatically and adaptively are presented. The implementation of 3-D work is briefly discussed.

Kela, Ajay↗

NASA NTRS2007

High-LET Patterns of DSBs in DNA Loops, the HPRT Gene and Phosphorylation Foci

We present new results obtained with our model based on the track structure and chromatin geometry that predicts the DSB spatial and genomic distributions in a cell nucleus with the full genome represented. The model generates stochastic patterns of DSBs in the physical space of the nucleus filled with the realistic configuration of human chromosomes. The model was re-used to find the distribution of DSBs in a physical volume corresponding to a visible phosphorylation focus believed to be associated with a DSB. The data shows whether there must more than one DSB per foci due to finite size of the visible focus, even if a single DSB is radiochemically responsible for the phosphorylation of DNA in its vicinity. The same model can predict patterns of closely located DSBs in a given gene, or in a DNA loop, one of the large-scale chromatin structures. We demonstrated for the example of the HPRT gene, how different sorts of radiation lead to proximity effect in DSB locations, which is important for modeling gene deletions. The spectrum of intron deletions and total gene deletions was simulated for the HPRT gene. The same proximity effect of DSBs in a loop can hinder DSB restitutions, as parts of the loop between DSBs is deleted with a higher likelihood. The distributions of DSBs and deletions of DNA in a loop are presented.

Ponomarev, Artem L.↗

NASA NTRS2011

Geospace Environment Modeling 2008-2009 Challenge: Ground Magnetic Field Perturbations

Acquiring quantitative metrics!based knowledge about the performance of various space physics modeling approaches is central for the space weather community. Quantification of the performance helps the users of the modeling products to better understand the capabilities of the models and to choose the approach that best suits their specific needs. Further, metrics!based analyses are important for addressing the differences between various modeling approaches and for measuring and guiding the progress in the field. In this paper, the metrics!based results of the ground magnetic field perturbation part of the Geospace Environment Modeling 2008 2009 Challenge are reported. Predictions made by 14 different models, including an ensemble model, are compared to geomagnetic observatory recordings from 12 different northern hemispheric locations. Five different metrics are used to quantify the model performances for four storm events. It is shown that the ranking of the models is strongly dependent on the type of metric used to evaluate the model performance. None of the models rank near or at the top systematically for all used metrics. Consequently, one cannot pick the absolute winner : the choice for the best model depends on the characteristics of the signal one is interested in. Model performances vary also from event to event. This is particularly clear for root!mean!square difference and utility metric!based analyses. Further, analyses indicate that for some of the models, increasing the global magnetohydrodynamic model spatial resolution and the inclusion of the ring current dynamics improve the models capability to generate more realistic ground magnetic field fluctuations.

Pulkkinen, A.↗

NASA NTRS2020

Modeling Electrolytic Conversion of Metabolic CO2 and Optimizing a Macrofluidic Electrochemical Reactor for Advanced Closed Loop Life Support Systems

The International Space Station (ISS) is currently equipped with a complex, heavy, and power consuming system that recovers approximately 50% of O2 from metabolic CO2. Future long duration missions will require a sustainable and highly efficient system capable of yielding a minimum of 75% O2 recovery. A Macrofluidic Electrochemical Reactor (MFECR) technology development effort is currently underway at NASA Marshall Space Flight Center (MSFC) to significantly increase current O2 recovery efficiency and reduce complexity of the system. This paper presents a comprehensive multi-physic 3D model developed at MSFC on CO2 conversion to O2 and C2H4 at standard conditions via MFECR. The 3D spatial domain of the model is a replica of the actual MFECR’s 3D drawing generated for the MFECR fabrication and operated to recover O2 from CO2 yielding C2H4 as byproduct. Electrochemical (EC) physics that includes EC multicomponent reaction mechanisms, mass transport, and current density distributions is coupled in the model with all the other physics phenomena involved in the process, such as free and porous fluid flow, multicomponent mass transfer, heat transfer, and DC electrical current generation along with Joule heating effect. The authors plan to use experimental results to validate this comprehensive and rigorous model and build a reliable simulator that will not only assist the authors on the MFECR design but also optimize its operation.

Dominguez, Jesus A.↗

NASA NTRS2020

Supporting Information for ”The 2019-2020 Australian Drought and Bushfires Altered the Partitioning of Hydrological Fluxes

The model configuration employs the modified International Geosphere Biosphere Programme (IGBP) MODIS 20 category landcover data, soil parameters derived from the International Soil Reference and Information Centre, and the Shuttle Radar Topography Mission based elevation, slope, and aspect data. Statistical downscaling approaches are used to transform the coarse resolution MERRA2 meteorological inputs to 1km. The input meteorological fields of air temperature, humidity, surface pressure, wind, downward shortwave radiation, and downward longwave radiation are downscaled to 1km by adjusting for terrain differences in elevation, slope, and aspect. The high resolution monthly precipitation climatology from WorldClim is used to spatially disaggregate input MERRA2 precipitation to 1km. The initial conditions for the model simulations are generated from a long spinup of NoahMP starting from year 2000. All model integrations and evaluations are conducted using the NASA Land Information System and the Land surface Verification Toolkit.

Sujay V Kumar↗

DOE OSTI2025

Mesoscale Modeling of Dislocation Cell Structure Evolution and Radiation-Induced Segregation in Additively Manufactured Austenitic Stainless Steel

Structural alloys under irradiation develop radiation-induced segregation (RIS) at point defect sinks, which lead to undesired changes in the alloy's properties. Additively manufactured austenitic stainless steels are expected to yield a distinct response to irradiation damage owing to their unique as-printed dislocation cell structure. In this talk, we present the development of a mesoscale model for dislocation cell structure evolution coupled with RIS using the MOOSE framework. The evolution of network dislocations within spatially distinct cells and cell walls are modeled using climb-mediated edge annihilation and generation processes. Starting with initial microstructures of as-printed non-equilibrium segregations at dislocation cell walls, our 2D and 3D simulations explore the effects of irradiation temperature, dose rate, dislocation sink bias, and specimen thickness on microstructure evolution. The results will be compared against experimental characterizations of in-situ and ex-situ ion-irradiated samples, and the implications of evolving cell structure on irradiation damage response will be discussed.

additive manufacturing↗

DOE OSTI2020

The Dynamics of the Wide-angle Tailed (WAT) Galaxy Cluster A562

We present the first in-depth dynamical analysis of the archetypal wide-angle tailed (WAT) cluster A562. We have combined Gemini observations with archival data from the literature to form a sample of 76 cluster members and derived a mean redshift of 0.1088 ± 0.0004 and a velocity dispersion of 919 ± 116 km s{sup −1}. This relatively large velocity dispersion suggests either a very massive cluster (M {sub dyn} > 6.9 × 10{sup 14} M {sub ☉}) and/or a merger system. The merger model is supported by a non-Gaussian galaxy velocity distribution, an elongated spatial distribution of likely cluster members, and an elongated X-ray emitting gas. This scenario would generate the bulk flow motion of the intracluster medium that can exert enough ram pressure to bend the radio jets. Thus, our observations support the model in which a recent off-axis merger event produced the cluster wide conditions needed to shape the WAT in A562.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRSDate not supplied

Generation of Continental Scale Percent Tree Cover Product Using Deep-learning and Multi-scale Remote Sensing Data

Spatially explicit percent tree cover (TC) estimation is critical for mapping forest aboveground biomass and its dynamics. While various TC products have been developed, there has not been a generalized framework that can be applied to diverse terrestrial ecosystems due to underlain extreme complexities. Deep learning algorithms can learn a spatial pattern and radiometric characteristics of tree canopy as a robust approximation of physical or empirical models, and thus have emerged as promising and efficient tools for large-scale TC mapping. In this study, we synergistically use very high-resolution aerial imageries (National Agriculture Imagery Program, NAIP) and medium resolution Landsat data to map continental-scale TC (CONUS and Mexico) through a hierarchical deep learning approach (Convolutional Neural Network), i.e., NAIP TC generated from a NAIP model is utilized to train a Landsat model. The produced TC product (hereafter, NEX-TC) is able to capture the spatial pattern of TC distribution and its changes driven by natural disturbance and human land management. We further explore and analyze the reliability and potential uncertainty of the NEX-TC by comparing it to lidar- (lidar-TC), National Land Cover Database (NLCD-TC), and MODIS Vegetation Continuous Field (MODIS-TC). This evaluation practice reveals that TC products based on passive optical sensors tend to underestimate TC across all land cover types while Landsat-based TCs (i.e., NEX-TC & NLCD-TC) perform better than the coarser MODIS TC estimate. Our results show that the NEX-TC is generally comparable to NLCD-TC but it particularly outperforms NLCD-TC and MODIS-TC over the dense forests where lidar-TC indicates >80% TC. These results indicate that our hierarchical deep learning approach and TC product will be effective and useful for characterizing large-scale tree cover and possibly associated carbon dynamics.

Landsat↗