Results for “interaction network” — Page 22

NASA NTRS1993

Internetworking satellite and local exchange networks for personal communications applications

The demand for personal communications services has shown unprecedented growth, and the next decade and beyond promise an era in which the needs for ubiquitous, transparent and personalized access to information will continue to expand in both scale and scope. The exchange of personalized information is growing from two-way voice to include data communications, electronic messaging and information services, image transfer, video, and interactive multimedia. The emergence of new land-based and satellite-based wireless networks illustrates the expanding scale and trend toward globalization and the need to establish new local exchange and exchange access services to meet the communications needs of people on the move. An important issue is to identify the roles that satellite networking can play in meeting these new communications needs. The unique capabilities of satellites, in providing coverage to large geographic areas, reaching widely dispersed users, for position location determination, and in offering broadcast and multicast services, can complement and extend the capabilities of terrestrial networks. As an initial step in exploring the opportunities afforded by the merger of satellite-based and land-based networks, several experiments utilizing the NASA ACTS satellite and the public switched local exchange network were undertaken to demonstrate the use of satellites in the delivery of personal communications services.

Wolff, Richard S.↗

DOE OSTI2025

Ca X ML: Chemistry‐informed machine learning explains mutual changes between protein conformations and calcium ions in calcium‐binding proteins using structural and topological features

Proteins' flexibility is a feature in communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene expression. When binding with the disordered parts of a protein, calcium ions must balance their charge states with the shape of calcium-binding proteins and their versatile pool of partners depending on the circumstances they transmit. Accurately determining the ionic charges of those ions is essential for understanding their role in such processes. However, it is unclear whether the limited experimental data available can be effectively used to train models to accurately predict the charges of calcium-binding protein variants. Here, we developed a chemistry-informed, machine-learning algorithm that implements a game theoretic approach to explain the output of a machine-learning model without the prerequisite of an excessively large database for high-performance prediction of atomic charges. We used the ab initio electronic structure data representing calcium ions and the structures of the disordered segments of calcium-binding peptides with surrounding water molecules to train several explainable models. Network theory was used to extract the topological features of atomic interactions in the structurally complex data dictated by the coordination chemistry of a calcium ion, a potent indicator of its charge state in protein. Our design created a computational tool of Ca X ML, which provided a framework of explainable machine learning model to annotate ionic charges of calcium ions in calcium-binding proteins in response to the chemical changes in an environment. Our framework will provide new insights into protein design for engineering functionality based on the limited size of scientific data in a genome space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

The structural basis for 2′−5′/3′−5′-cGAMP synthesis by cGAS

Abstract cGAS activates innate immune responses against cytosolic double-stranded DNA. Here, by determining crystal structures of cGAS at various reaction stages, we report a unifying catalytic mechanism. apo-cGAS assumes an array of inactive conformations and binds NTPs nonproductively. Dimerization-coupled double-stranded DNA-binding then affixes the active site into a rigid lock for productive metal•substrate binding. A web-like network of protein•NTP, intra-NTP, and inter-NTP interactions ensures the stepwise synthesis of 2′−5′/3′−5′-linked cGAMP while discriminating against noncognate NTPs and off-pathway intermediates. One divalent metal is sufficient for productive substrate binding, and capturing the second divalent metal is tightly coupled to nucleotide and linkage specificities, a process which manganese is preferred over magnesium by 100-fold. Additionally, we elucidate how mouse cGAS achieves more stringent NTP and linkage specificities than human cGAS. Together, our results reveal that an adaptable, yet precise lock-and-key-like mechanism underpins cGAS catalysis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Shock propagation in aerogel and TPP foams for inertial fusion energy target design

Achieving practical inertial fusion energy (IFE) requires the development of target designs with well-characterized microstructure and compression response. We measured shock dynamics in low-density (17.5–500 mg/cm 3 ) aerogel and two-photon polymerization (TPP) foams using x-ray phase contrast imaging (XPCI) methods and the Velocity Interferometer System for Any Reflector. By analyzing shock front evolution, we examined how target type and density influence shock propagation and energy dissipation. Talbot-XPCI shows that aerogels support a smooth, bowed shock front due to their homogeneous nanometer-scale pore network. In contrast, TPP foams exhibit irregular, stepwise propagation driven by interactions with their periodic micrometer-scale lattice. Shock velocity follows a power-law relation: aerogels deviate from classical ρ −1/2 scaling due to pore-collapse dissipation, while TPP foams follow the trend with larger uncertainties from density variations. Comparisons with xRAGE simulations reveal systematic underestimation of shock speeds. These results provide the first experimental constraints on shock propagation in TPP foams over a wide density range and highlight the influence of internal structure on anisotropic shock behavior. Our findings support improved benchmarking of EOS and hydrodynamic models and inform the design of foam architectures that promote implosion symmetry in IFE capsules.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Prediction of vacancy defect diffusion paths in high entropy alloys via machine learning on molecular dynamics data

Identifying the diffusion path of point defects is a critical step in understanding their evolution and the mechanisms of related phenomena. Defect diffusion occurs at small length and time scales, with impacts on material properties that may continue to evolve over ns to μs, ms, and the continuum scale (s, min, etc., and cm, m, etc.). The time scale accessible to molecular dynamics (MD) simulations is limited by small step sizes, typically in the fs range. Thus, surrogate models of MD simulations through machine learning (ML)-based algorithms are of great interest, especially for complex systems such as high entropy alloys (HEAs). In this work, dynamics governing vacancy migration in HEA were approximated with graph convolutional network (GCN) models as ansatzes for kinetic Monte Carlo (KMC) rate catalogs. Network design considered that diffusion in crystalline solids generally depends on interactions between defects and their immediate neighbor atoms. Graphs represented the vacancy surroundings, MD-generated trajectories provided training and comparison datasets, and unsupervised GCN models approximated interatomic dynamics governing vacancy migration in HEAs as ansatzes for KMC. A proof-of-concept model trained on MD data for the Fe, Ni, Cr, Co, and Cu HEA environment was used with two different neighbor interactions to assess the feasibility of training a GCN to predict vacancy defect transition rates in the HEA environment. The resulting setup rapidly generated MD-formatted synthetic trajectories based on dynamics learned from the MD training set, with a time acceleration of roughly two orders of magnitude and a similar diffusion coefficient to MD observations. Additionally, Nudged Elastic Band (NEB) calculations were performed on randomly generated FeNiCrCoCu HEA structures to determine vacancy migration barriers across nearest-neighbor sites. Transition probabilities for each jump, categorized by atomic type, were extracted from these calculations. NEB-based and GCN-based approaches led to similar outcomes.

Reimer, C↗

DOE OSTI2026

Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces

The air-water and graphene-water interfaces represent quintessential examples of the liquid-gas and liquid-solid boundaries, respectively. While the sum-frequency generation (SFG) spectra of these interfaces show similarities, a consensus on their signals and interpretations has yet to be reached. Leveraging deep learning, we computed first-principles SFG spectra for both systems, addressing experimental discrepancies. Here, our findings reveal that similarities in SFG signals do not translate into comparable interfacial microscopic properties. Instead, graphene-water and air-water interfaces exhibit fundamental differences in SFG-active thicknesses, hydrogen-bonding networks, and surface dynamics. These distinctions underscore roughness suppression and electronic interactions present at the solid-liquid interface but absent at the gas-liquid interface.

Wang, Yong [Princeton Univ., NJ (United States)] (↗

DOE OSTI2024

WEC as a multiport

SAND2025-00555O WEC as a multiport is a software tool that simplifies the modeling and design of ocean wave energy converters (WECs) using a multi-port network framework in the frequency domain. Users can simulate the dynamic interactions between WECs and ocean waves, optimizing energy extraction and system performance. This tool supports the analysis of complex wave energy systems, aiding in the development of efficient and effective WEC designs. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Coe, Ryan↗

DOE OSTI2025

Development and Evaluation of a General Drag Model for Gas-Solid Flows via Deep Learning

This project presents the development and evaluation of a general drag model for gas–solid multiphase flows using deep learning techniques. A comprehensive database of more than 4,000 experimental and numerical data points for spherical and non spherical particles was compiled, incorporating geometric features such as sphericity, aspect ratio, and orientation. Several predictive approaches—including traditional em pirical correlations, machine learning, and deep neural networks—were benchmarked, with the proposed Drag Coefficient Correlation-aided Deep Neural Network (DCC DNN) demonstrating superior accuracy. To account for particle–particle interactions, additional drag data were generated using CFD-based simulations of packed and flu idized beds, leading to the development of a retrained model capable of incorporat ing volume fraction effects. Integration of the trained model with the MFiX CFD solver was achieved using FTorch, enabling drag predictions during discrete element method (DEM) simulations. Validation against experimental data for single particles and fluidized beds confirmed the model’s improved predictive ability, particularly for non-spherical geometries. While the model performed strongly under fluidized con ditions, limitations remained in unfluidized regimes, suggesting a need for expanded datasets. Overall, this study demonstrates the feasibility of combining deep learning with physics-informed CFD to improve drag modeling for gas–solid flows, with promis ing implications for scaling multiphase simulations in industrial applications.

42 ENGINEERING↗

NASA NTRS1988

An expert system for a distributed real-time trainer

The problem addressed by this expert system concerns the expansion of capability of a Real Time Trainer for the Spacelab flight crew. As requirements for more models or fidelity are placed upon the system, expansion is necessary. The simulator can be expanded using a larger processor or by going to a distributed system and expand by adding additional processors. The distributed system is preferable because it is more economical and can be expanded in a more incremental manner. An expert system was developed to evaluate modeling and timing capability within a real time training simulator. The expert system is based upon a distributed configuration. Components of the modeled system are control tasks, network tasks, emulator tasks, processors, displays, and a network. The distributed module expert system (DMES) allows the configuring of processors, tasks, display use, keyboard use, and selection of alternate methods to update the data buffer. Modules can be defined with execution occurring in a specific processor on a network. The system consists of a knowledge front end editor to interactively generate or update the knowledge base, an inference engine, a display module, and a recording module.

Purinton, Steven C.↗

NASA NTRS2001

Utilization of KSC Present Broadband Communications Data System For Digital Video Services

This report covers a visibility study of utilizing present KSC broadband communications data system (BCDS) for digital video services. Digital video services include compressed digital TV delivery and video-on-demand. Furthermore, the study examines the possibility of providing interactive video on demand to desktop personal computers via KSC computer network.

Andrawis, Alfred S.↗

NASA NTRS2002

Utilization of KSC Present Broadband Communications Data System for Digital Video Services

This report covers a visibility study of utilizing present KSC broadband communications data system (BCDS) for digital video services. Digital video services include compressed digital TV delivery and video-on-demand. Furthermore, the study examines the possibility of providing interactive video on demand to desktop personal computers via KSC computer network.

Andrawis, Alfred S.↗

NASA NTRS2009

Baseline Assessment and Prioritization Framework for IVHM Integrity Assurance Enabling Capabilities

Fundamental to vehicle health management is the deployment of systems incorporating advanced technologies for predicting and detecting anomalous conditions in highly complex and integrated environments. Integrated structural integrity health monitoring, statistical algorithms for detection, estimation, prediction, and fusion, and diagnosis supporting adaptive control are examples of advanced technologies that present considerable verification and validation challenges. These systems necessitate interactions between physical and software-based systems that are highly networked with sensing and actuation subsystems, and incorporate technologies that are, in many respects, different from those employed in civil aviation today. A formidable barrier to deploying these advanced technologies in civil aviation is the lack of enabling verification and validation tools, methods, and technologies. The development of new verification and validation capabilities will not only enable the fielding of advanced vehicle health management systems, but will also provide new assurance capabilities for verification and validation of current generation aviation software which has been implicated in anomalous in-flight behavior. This paper describes the research focused on enabling capabilities for verification and validation underway within NASA s Integrated Vehicle Health Management project, discusses the state of the art of these capabilities, and includes a framework for prioritizing activities.

Cooper, Eric G.↗

NASA NTRS2011

Remote Sensing of Urban Land Cover/Land Use Change, Surface Thermal Responses, and Potential Meteorological and Climate Change Impacts

City growth influences the development of the urban heat island (UHI), but the effect that local meteorology has on the UHI is less well known. This paper presents some preliminary findings from a study that uses multitemporal Landsat TM and ASTER data to evaluate land cover/land use change (LULCC) over the NASA Marshall Space Flight Center (MFSC) and its Huntsville, AL metropolitan area. Landsat NLCD data for 1992 and 2001 have been used to evaluate LULCC for MSFC and the surrounding urban area. Land surface temperature (LST) and emissivity derived from NLCD data have also been analyzed to assess changes in these parameters in relation to LULCC. Additionally, LULCC, LST, and emissivity have been identified from ASTER data from 2001 and 2011 to provide a comparison with the 2001 NLCD and as a measure of current conditions within the study area. As anticipated, the multi-temporal NLCD and ASTER data show that significant changes have occurred in land covers, LST, and emissivity within and around MSFC. The patterns and arrangement of these changes, however, is significant because the juxtaposition of urban land covers within and outside of MSFC provides insight on what impacts at a local to regional scale, the inter-linkage of these changes potentially have on meteorology. To further analyze these interactions between LULCC, LST, and emissivity with the lower atmosphere, a network of eleven weather stations has been established across the MSFC property. These weather stations provide data at a 10 minute interval, and these data are uplinked for use by MSFC facilities operations and the National Weather Service. The weather data are also integrated within a larger network of meteorological stations across north Alabama. Given that the MSFC weather stations will operate for an extended period of time, they can be used to evaluate how the building of new structures, and changes in roadways, and green spaces as identified in the MSFC master plan for the future, will potentially affect land cover LSTs across the Center. Moreover, the weather stations will also provide baseline data for developing a better understanding of how localized weather factors, such as extreme rainfall and heat events, affect micrometeorology. These data can also be used to model the interrelationships between LSTs and meteorology on a longer term basis to help evaluate how changes in these parameters can be quantified from satellite data collected in the future. In turn, the overall integration of multi-temporal meteorological information with LULCC, and LST data for MSFC proper and the surrounding Huntsville urbanized area can provide a perspective on how urban land surface types affect the meteorology in the boundary layer and ultimately, the UHI. Additionally, data such as this can be used as a foundation for modeling how climate change will potentially impact local and regional meteorology and conversely, how urban LULCC can or will influence changes on climate over the north Alabama area.

Quattrochi, Dale A.↗

NASA NTRS2011

Remote Sensing of Urban Land Cover/Land Use Change, Surface Thermal Responses, and Potential Meteorological and Climate Change Impacts

City growth influences the development of the urban heat island (UHI), but the effect that local meteorology has on the UHI is less well known. This paper presents some preliminary findings from a study that uses multitemporal Landsat TM and ASTER data to evaluate land cover/land use change (LULCC) over the NASA Marshall Space Flight Center (MFSC) and its Huntsville, AL metropolitan area. Landsat NLCD data for 1992 and 2001 have been used to evaluate LULCC for MSFC and the surrounding urban area. Land surface temperature (LST) and emissivity derived from NLCD data have also been analyzed to assess changes in these parameters in relation to LULCC. Additionally, LULCC, LST, and emissivity have been identified from ASTER data from 2001 and 2011 to provide a comparison with the 2001 NLCD and as a measure of current conditions within the study area. As anticipated, the multi-temporal NLCD and ASTER data show that significant changes have occurred in land covers, LST, and emissivity within and around MSFC. The patterns and arrangement of these changes, however, is significant because the juxtaposition of urban land covers within and outside of MSFC provides insight on what impacts at a local to regional scale, the inter-linkage of these changes potentially have on meteorology. To further analyze these interactions between LULCC, LST, and emissivity with the lower atmosphere, a network of eleven weather stations has been established across the MSFC property. These weather stations provide data at a 10 minute interval, and these data are uplinked for use by MSFC facilities operations and the National Weather Service. The weather data are also integrated within a larger network of meteorological stations across north Alabama. Given that the MSFC weather stations will operate for an extended period of time, they can be used to evaluate how the building of new structures, and changes in roadways, and green spaces as identified in the MSFC master plan for the future, will potentially affect land cover LSTs across the Center. Moreover, the weather stations will also provide baseline data for developing a better understanding of how localized weather factors, such as extreme rainfall and heat events, affect micrometeorology. These data can also be used to model the interrelationships between LSTs and meteorology on a longer term basis to help evaluate how changes in these parameters can be quantified from satellite data collected in the future. In turn, the overall integration of multi-temporal meteorological information with LULCC, and LST data for MSFC proper and the surrounding Huntsville urbanized area can provide a perspective on how urban land surface types affect the meteorology in the boundary layer and ultimately, the UHI. Additionally, data such as this can be used as a foundation for modeling how climate change will potentially impact local and regional meteorology and conversely, how urban LULCC can or will influence changes on climate over the north Alabama area.

Quattrochi, Dale A.↗

DOE OSTI2024

HumoNet: A Framework for Realistic Modeling and Simulation of Human Mobility Network

Understanding, analyzing, and predicting human mobility and dynamics are valuable to solving pressing problems, developing effective plans, and prescribing timely remedies. As a computational approach, realistic human mobility simulations allow us to understand, analyze, and predict complex systems, including human societies. Accurate simulations rely on (1) the model that captures interactions and behaviors of myriad entities in our society and (2) the mapping of model instances to real-world entities. Taking this into account, this paper introduces the Human Mobility Network simulation framework (HumoNet), an integrated patterns of life (POL) simulation framework that leverages real-world data layers including transportation networks, points of interest, populations, popularity, and human trajectories. HumoNet is a data informed model in which agents are equipped with activities, locomotion, and planning capabilities. To simulate realistic kinematic maneuvers of individuals in transportation networks, HumoNet harnesses a microscopic traffic simulator that provides interaction among vehicles and traffic objects. In this paper, we describe the framework, outline our methodologies, and discuss the data processing and challenges of each data layer. Through experiments, we demonstrate that our simulations capture key features of human mobility by comparing them to the literature and real data using standard measures of human mobility (i.e., the radius of gyration, number of locations visited, level of exploration) and metrics scoring (i.e., Jensen-Shannon divergence). We envision that the synthetic data produced by HumoNet will serve as a benchmark for analyzing epidemics, deploying EV charging networks, and validating AI/ML tasks such as location prediction.

Kim, Joon-Seok↗

DOE OSTI2025

Machine learning approach to trapped many-fermion systems

For this work, we apply a variational ansatz based on neural networks to the problem of spin-$^1_2$ fermions in a harmonic trap interacting through a short distance potential. We showed that standard machine learning techniques lead to a quick convergence to the ground state, especially in weakly coupled cases. Higher couplings can be handled efficiently by increasing the strength of interactions during “training”.

1-dimensional systems↗

NASA NTRS1988

Synchronization in neural nets

The paper presents an artificial neural network concept (the Synchronizable Oscillator Networks) where the instants of individual firings in the form of point processes constitute the only form of information transmitted between joining neurons. In the model, neurons fire spontaneously and regularly in the absence of perturbation. When interaction is present, the scheduled firings are advanced or delayed by the firing of neighboring neurons. Networks of such neurons become global oscillators which exhibit multiple synchronizing attractors. From arbitrary initial states, energy minimization learning procedures can make the network converge to oscillatory modes that satisfy multi-dimensional constraints. Such networks can directly represent routing and scheduling problems that consist of ordering sequences of events.

Vidal, Jacques J.↗

DOE OSTI2024

Integrating multi-modal remote sensing, deep learning, and attention mechanisms for yield prediction in plant breeding experiments

In both plant breeding and crop management, interpretability plays a crucial role in instilling trust in AI-driven approaches and enabling the provision of actionable insights. The primary objective of this research is to explore and evaluate the potential contributions of deep learning network architectures that employ stacked LSTM for end-of-season maize grain yield prediction. A secondary aim is to expand the capabilities of these networks by adapting them to better accommodate and leverage the multi-modality properties of remote sensing data. In this study, a multi-modal deep learning architecture that assimilates inputs from heterogeneous data streams, including high-resolution hyperspectral imagery, LiDAR point clouds, and environmental data, is proposed to forecast maize crop yields. The architecture includes attention mechanisms that assign varying levels of importance to different modalities and temporal features that, reflect the dynamics of plant growth and environmental interactions. The interpretability of the attention weights is investigated in multi-modal networks that seek to both improve predictions and attribute crop yield outcomes to genetic and environmental variables. This approach also contributes to increased interpretability of the model's predictions. The temporal attention weight distributions highlighted relevant factors and critical growth stages that contribute to the predictions. The results of this study affirm that the attention weights are consistent with recognized biological growth stages, thereby substantiating the network's capability to learn biologically interpretable features. Accuracies of the model's predictions of yield ranged from 0.82-0.93 R 2 ref in this genetics-focused study, further highlighting the potential of attention-based models. Further, this research facilitates understanding of how multi-modality remote sensing aligns with the physiological stages of maize. The proposed architecture shows promise in improving predictions and offering interpretable insights into the factors affecting maize crop yields, while demonstrating the impact of data collection by different modalities through the growing season. By identifying relevant factors and critical growth stages, the model's attention weights provide valuable information that can be used in both plant breeding and crop management. The consistency of attention weights with biological growth stages reinforces the potential of deep learning networks in agricultural applications, particularly in leveraging remote sensing data for yield prediction. To the best of our knowledge, this is the first study that investigates the use of hyperspectral and LiDAR UAV time series data for explaining/interpreting plant growth stages within deep learning networks and forecasting plot-level maize grain yield using late fusion modalities with attention mechanisms.

59 BASIC BIOLOGICAL SCIENCES↗