Search NASA⌕ Search

SEARCH · Search NASA

Results for “Network modeling”

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.

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

At least 541 records · Page 30

Probing the folded state and mechanical unfolding pathways of T4 lysozyme using all-atom and coarse-grained molecular simulation

The Bacteriophage T4 Lysozyme (T4L) is a prototype modular protein comprised of an N-terminal and a C-domain domain, which was extensively studied to understand the folding/unfolding mechanism of modular proteins. To offer detailed structural and dynamic insights to the folded-state stability and the mechanical unfolding behaviors of T4L, we have performed extensive equilibrium and steered molecular dynamics simulations of both the wild-type (WT) and a circular permutation (CP) variant of T4L using all-atom and coarse-grained force fields. Our all-atom and coarse-grained simulations of the folded state have consistently found greater stability of the C-domain than the N-domain in isolation, which is in agreement with past thermostatic studies of T4L. While the all-atom simulation cannot fully explain the mechanical unfolding behaviors of the WT and the CP variant observed in an optical tweezers study, the coarse-grained simulations based on the Go model or a modified elastic network model (mENM) are in qualitative agreement with the experimental finding of greater unfolding cooperativity in the WT than the CP variant. Interestingly, the two coarse-grained models predict different structural mechanisms for the observed change in cooperativity between the WT and the CP variant—while the Go model predicts minor modification of the unfolding pathways by circular permutation (i.e., preserving the general order that the N-domain unfolds before the C-domain), the mENM predicts a dramatic change in unfolding pathways (e.g., different order of N/C-domain unfolding in the WT and the CP variant). Based on our simulations, we have analyzed the limitations of and the key differences between these models and offered testable predictions for future experiments to resolve the structural mechanism for cooperative folding/unfolding of T4L.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

VOTCA: multiscale frameworks for quantum and classical simulations in soft matter

Many physical phenomena in liquids and soft matter are multiscale by nature and can involve processes with quantum and classical degrees of freedom occurring over a vast range of length- and timescales. Examples range from structure formation processes of complex polymers or even polymer blends (Svaneborg & Everaers, 2023) on the classical side to charge and energy transport and conversion processes (Lee et al., 2019) involving explicit electronic and, therefore, quantum information. The Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) provides multiscale frameworks built on a comprehensive set of methods for the development of classical coarse-grained potentials (VOTCA-CSG) as well as state-of-the art excited state electronic structure methods based on density-functional and many-body Green’s function theories, coupled in mixed quantum-classical models and used in kinetic network models (VOTCA-XTP).

97 MATHEMATICS AND COMPUTING↗

Progress on Machine Learning for the SNS High Voltage Converter Modulators

The High-Voltage Converter Modulators (HVCM) used to power the klystrons in the Spallation Neutron Source (SNS) linac were selected as one area to explore machine learning due to reliability issues in the past and the availability of large sets of archived waveforms. Progress in the past two years has resulted in generating a significant amount of simulated and measured data for training neural network models such as recurrent neural networks, convolutional neural networks, and variational autoencoders. Applications in anomaly detection, fault classification, and prognostics of capacitor degradation were pursued in collaboration with the Jefferson Laboratory, and early promising results were achieved. This paper will discuss the progress to date and present results from these efforts.

Pappas, Chris↗

A Privacy Preserving Distributed Model Identification Algorithm for Power Distribution Systems: Preprint

Distributed control/optimization is a promising approach for network systems due to its advantages over centralized schemes, such as robustness, cost-effectiveness, and improved privacy. However, distributed methods can have drawbacks, such as slower convergence rates due to limited knowledge of the overall network model. Additionally, ensuring privacy in the communication of sensitive information can pose implementation challenges. To address this issue, we propose a distributed model identification algorithm that enables each agent to identify the sub-model that characterizes the relationship between its local control and the overall system outputs. The proposed algorithm maintains the privacy of local agents by only communicating through dummy variables. We demonstrate the efficacy of our algorithm in the context of power distribution systems by applying it to the voltage regulation of a modified IEEE distribution system. The proposed algorithm is well-suited to the needs of power distribution controls and offers an effective solution to the challenges of distributed model identification in network systems.

data-driven modeling↗

Network design for quantifying urban CO<sub>2</sub> emissions: assessing trade-offs between precision and network density

The majority of anthropogenic CO 2 emissions are attributable to urban areas. While the emissions from urban electricity generation often occur in locations remote from consumption, many of the other emissions occur within the city limits. Evaluating the effectiveness of strategies for controlling these emissions depends on our ability to observe urban CO 2 emissions and attribute them to specific activities. Cost-effective strategies for doing so have yet to be described. Here we characterize the ability of a prototype measurement network, modeled after the Berkeley Atmospheric CO 2 Observation Network (BEACO 2 N) in California's Bay Area, in combination with an inverse model based on the coupled Weather Research and Forecasting/Stochastic Time-Inverted Lagrangian Transport (WRF-STILT) to improve our understanding of urban emissions. The pseudo-measurement network includes 34 sites at roughly 2 km spacing covering an area of roughly 400 km 2 . The model uses an hourly 1 × 1 km 2 emission inventory and 1 × 1 km 2 meteorological calculations. We perform an ensemble of Bayesian atmospheric inversions to sample the combined effects of uncertainties of the pseudo-measurements and the model. We vary the estimates of the combined uncertainty of the pseudo-observations and model over a range of 20 to 0.005 ppm and vary the number of sites from 1 to 34. We use these inversions to develop statistical models that estimate the efficacy of the combined model–observing system in reducing uncertainty in CO 2 emissions. We examine uncertainty in estimated CO 2 fluxes on the urban scale, as well as for sources embedded within the city such as a line source (e.g., a highway) or a point source (e.g., emissions from the stacks of small industrial facilities). Using our inversion framework, we find that a dense network with moderate precision is the preferred setup for estimating area, line, and point sources from a combined uncertainty and cost perspective. The dense network considered here (modeled after the BEACO 2 N network with an assumed mismatch error of 1 ppm at an hourly temporal resolution) could estimate weekly CO 2 emissions from an urban region with less than 5 % error, given our characterization of the combined observation and model uncertainty.

54 ENVIRONMENTAL SCIENCES↗

A biophysical approach to the performance diagnosis of human–building energy interaction: Information (bits) modeling, algorithm, and indicators of energy flow complexity

Highlights: • Energy-related human-building interaction is analyzed at the biophysical system scale. • Energy flow-networking model of environmental building performance is suggested. • Information is suggested as a holistic building performance metric. - Abstract: This article addresses the utmost upstream impacts of human–building energy interaction by proposing a network-based model, algorithms, and indicators. Hypothesizing that human behavior is a key factor for the symbiotic development of building and the geobiosphere system, the author seeks emergy (spelled with an “m”)-information integrated measures to indicate dynamic system-level performance of the interaction with building energy flow topology. To validate the hypothesis and methods, four representative building cases were tested on the building form (envelope) of (i) a building with no occupant intervention (baseline), (ii) a building controlled by responsive human behavior (bioclimatic adaptation), (iii) a building with reinforced insulation and behavior-dominated control (passive design), and (iv) a net-zero energy building (NZEB). The results demonstrate that adaptive human behavior in building operation increases the information content and complexity of energy-flow networking, improving performance and sustainability. Findings also reveal that increasing information, complexity, and power (energy availability over time) parallel the general energetic features of developing biophysical systems (greater feedback, internalization, and recycling of materials and energies). It becames clear that active behavioral response is a dominant agent of sustainable environments even on a far broader system scale.

54 ENVIRONMENTAL SCIENCES↗

A deep learning approach to anomaly detection in geological carbon sequestration sites using pressure measurements

Carbon capture and storage (CCS) has been extensively investigated as a potential engineering measure to reduce anthropogenic carbon emission to the atmosphere. Real-time monitoring of the safety and integrity of carbon storage reservoirs is a critical aspect of any commercial-scale CCS deployment. Pressure-based sensing is cost effective, suitable for real-time monitoring, and scalable to large monitoring networks. However, questions remain on how to best harness intelligent information from the high-frequency pressure monitoring sensors to support real-time decisions. Here this work presents a deep-learning-based framework for analyzing and detecting anomalies in pressure data streams by using a convolutional long short-term memory (ConvLSTM) neural network model, which allows for the fusion of both static and dynamic reservoir data. In ConvLSTM, the convolutional neural network (CNN) is used for spatial pattern mining and the LSTM is used for temporal pattern recognition. The performance of the ConvLSTM model for real-time anomaly detection is demonstrated using a set of pressure monitoring data collected from Cranfield, Mississippi, an active enhanced-oil-recovery field. The anomaly detection model is trained using bottom-hole pressure data acquired from the base experiment (without leak event) and then tested on pressure data collected during a series of controlled CO 2 release experiments (with artificially created leak events). Results show that the ConvLSTM neural network model successfully detected anomalies in the pressure time series obtained from the controlled release experiments. Inclusion of static information into the model further improves the robustness of ConvLSTM.

13 HYDRO ENERGY↗

Deep learning model to detect various synchrophasor data anomalies

High-density synchrophasors provide valuable information for power grid situational awareness, operation and control. Unfortunately, due to factors including communication instability and hardware failure, their data quality can be greatly deteriorated by anomalies. Since the anomalies can impact the performance of the synchrophasor applications, it is of paramount significance to propose a model to detect anomalies in synchrophasor. In this study, a convolutional neural network model is established to detect and classify the anomalies in the synchrophasor measurements. Additionally, four types of anomalies observed in actual synchrophasors including erroneous patterns, random spikes, missing points and high-frequency interferences are considered in this study. The proposed model is extensively evaluated via field-collected measurements from the synchrophasor network in Jiangsu grid, China. The superior performance of the proposed model indicates the great potential of using deep learning for the detection of abnormal synchrophasor measurements.

42 ENGINEERING↗

Accurate Compression of Tabulated Chemistry Models with Partition of Unity Networks

Tabulated chemistry models are widely used to simulate large-scale turbulent fires in applications including energy generation and fire safety. Tabulation via piecewise Cartesian interpolation suffers from the curse-of-dimensionality, leading to a prohibitive exponential growth in parameters and memory usage as more dimensions are considered. Artificial neural networks (ANNs) have attracted attention for constructing surrogates for chemistry models due to their ability to perform high-dimensional approximation. However, due to well-known pathologies regarding the realization of suboptimal local minima during training, in practice they do not converge and provide unreliable accuracy. Partition of unity networks (POUnets) are a recently introduced family of ANNs which preserve notions of convergence while performing high-dimensional approximation, discovering a mesh-free partition of space which may be used to perform optimal polynomial approximation. In this work, we assess their performance with respect to accuracy and model complexity in reconstructing unstructured flamelet data representative of nonadiabatic pool fire models. Our results show that POUnets can provide the desirable accuracy of classical spline-based interpolants with the low memory footprint of traditional ANNs while converging faster to significantly lower errors than ANNs. For example, we observe POUnets obtaining target accuracies in two dimensions with 40 to 50 times less memory and roughly double the compression in three dimensions. We also address the practical matter of efficiently training accurate POUnets by studying convergence over key hyperparameters, the impact of partition/basis formulation, and the sensitivity to initialization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A conceptual model for how to design for building envelope characteristics. Impact of thermal comfort intervals and thermal mass on commercial buildings in U.S. climates

The paper presents a simplified conceptual model for energy demand calculations based on building envelope characteristics, thermal mass and local climate. It is based on a network model and lumped analysis of the dynamic process. Characteristic parameters for the buildings are suggested; Driving temperature (DT), Driving temperature difference, (DTD), External Load Temperature (ELT), and Thermal Load Resistance (TLR). The Building Envelope Performance ( BEP 0 ), based on a controlled constant indoor temperature is introduced. Solution techniques using stable explicit forward differences based on analytical solutions are derived. The conceptual model has been used for mapping the Driving temperature difference and introduced two performance factors and . The first factor represents the effect of thermal comfort interval and thermal mass on the energy demand. The latter represents the ratio between cooling and heating energy demand. These three parameters and factors have been visualized on U.S. maps and enable a possibility to communicate the demand of energy, and cooling and the coupling to building characteristics, in a concise way.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Learning In networks

Intelligent systems require software incorporating probabilistic reasoning, and often times learning. Networks provide a framework and methodology for creating this kind of software. This paper introduces network models based on chain graphs with deterministic nodes. Chain graphs are defined as a hierarchical combination of Bayesian and Markov networks. To model learning, plates on chain graphs are introduced to model independent samples. The paper concludes by discussing various operations that can be performed on chain graphs with plates as a simplification process or to generate learning algorithms.

Buntine, Wray L.↗

Neural Network and Regression Approximations Used in Aircraft Design

NASA Lewis Research Center's CometBoards Test Bed was used to create regression and neural network models for a High-Speed Civil Transport (HSCT) aircraft. Both approximation models that replaced the actual analysis tool predicted the aircraft response in a trivial computational effort. The models allow engineers to quickly study the effects of design variables on constraint and objective values for a given aircraft configuration. For example, an engineer can change the engine size by 1000 pounds of thrust and quickly see how this change affects all the output values without rerunning the entire simulation. In addition, an engineer can change a constraint and use the approximation models to quickly reoptimize the configuration. Generating the neural network and the regression models is a time-consuming process, but this exercise has to be carried out only once. Furthermore, an automated process can reduce calculations substantially.

Patnaik, Surya N.↗

Uncertainty Quantification Framework for Predicting Material Response with Large Number of Parameters: Application to Creep Prediction in Ferritic-Martensitic Steels Using Combined Crystal Plasticity and Grain Boundary Models

This paper presents an uncertainty quantification (UQ) framework for the physics-based model prediction of material response with a large number of parameters. The application problem presented in this work is that of predicting creep in Grade 91 steel at 600°C. The material response is defined with a physically based microstructural model with constitutive equations emulating several observed phenomena in Grade 91 and embodied into an explicit geometry mesoscale finite element model for prior austenite grains and grain boundaries. Creep within the grains and in grain boundaries are represented by crystal plasticity for dislocation motion and a physics-based model for cavity growth and nucleation, respectively. The creep behavior of this material is influenced by several parameters, some of which have a wide range of variation based on experimental data. UQ combined with microstructural modeling can discover the core microstructural causes of experimental variability, leading to improved materials with lower variability in critical long-term material properties. In this study, we investigate the model's uncertainty to identify material properties that may be modified during production to increase creep life and analyze different components of the crystal plasticity model for improvements. For this purpose, a quantity of interest is defined as time to minimum creep rate, which correlates well to the creep failure of the material. A deep neural network model was trained and validated to be used as a surrogate for the finite element model. Then, a variance-based sensitivity analysis is performed on the surrogate model to find the Sobol indices of the input parameters in respect to the output quantity of interest. The Sobol indices are used to reduce the dimensionality of the model. Generalized polynomial chaos expansion is used on the reduced basis models to propagate the uncertainty from the input parameters to the quantity of interest using the deep neural network surrogate model. These results are benchmarked against uncertainty propagation using Monte Carlo simulations. In conclusion, the UQ performed through the reduced basis model captures almost all the uncertainty in the model with significantly fewer simulations, making it possible to perform the UQ directly via simulations with the finite element model rather than surrogate machine-learned models.

36 MATERIALS SCIENCE↗

Modeling a Wireless Network for International Space Station

This paper describes the application of wireless local area network (LAN) simulation modeling methods to the hybrid LAN architecture designed for supporting crew-computing tools aboard the International Space Station (ISS). These crew-computing tools, such as wearable computers and portable advisory systems, will provide crew members with real-time vehicle and payload status information and access to digital technical and scientific libraries, significantly enhancing human capabilities in space. A wireless network, therefore, will provide wearable computer and remote instruments with the high performance computational power needed by next-generation 'intelligent' software applications. Wireless network performance in such simulated environments is characterized by the sustainable throughput of data under different traffic conditions. This data will be used to help plan the addition of more access points supporting new modules and more nodes for increased network capacity as the ISS grows.

Alena, Richard↗

Differentially Private Synthesis and Sharing of Network Data Via Bayesian Exponential Random Graph Models

Abstract Network data often contain sensitive relational information. One approach to protecting sensitive information while offering flexibility for network analysis is to share synthesized networks based on the information in originally observed networks. We employ differential privacy (DP) and exponential random graph models (ERGMs) and propose the DP-ERGM method to synthesize network data. We apply DP-ERGM to two real-world networks. We then compare the utility of synthesized networks generated by DP-ERGM, the DyadWise Randomized Response (DWRR) approach, and the Synthesis through Conditional distribution of Edge given nodal Attribute (SCEA) approach. In general, the results suggest that DP-ERGM preserves the original information significantly better than two other approaches in network structural statistics and inference for ERGMs and latent space models. Furthermore, DP-ERGM satisfies node DP through modeling the global network structure with ERGM, a stronger notion of privacy than the edge DP under which DWRR and SCEA operate.

graph synthesis↗

Battery Pack Life Estimation through Cell Degradation Data and Pack Thermal Modeling for BAS+ Li-Ion Batteries. Cooperative Research and Development Final Report, CRADA Number CRD-12-489

Battery Life estimation is one of the key inputs required for Hybrid applications for all GM Hybrid/EV/EREV/PHEV programs. For each Hybrid vehicle program, GM has instituted multi-parameter Design of Experiments generating test data at Cell level and also Pack level on a reduced basis. Based on experience, generating test data on a pack level is found to be very expensive, resource intensive and sometimes less reliable. The proposed collaborative project will focus on a methodology to estimate Battery life based on cell degradation data combined with pack thermal modeling. NREL has previously developed cell-level battery aging models and pack-level thermal/electrical network models, though these models are currently not integrated. When coupled together, the models are expected to describe pack-level thermal and aging response of individual cells. GM and NREL will use data collected for GM's Bas+ battery system for evaluation of the proposed methodology and assess to what degree these models can replace pack-level aging experiments in the future.

25 ENERGY STORAGE↗

Advanced Analytics Studies Applied to US Department of Veterans Affairs' Corporate Data Warehouse (Initial Draft)

In this report, we describe our experience of applying several advanced analytics algorithms to the US Department of Veterans Affairs’ (VA’s) Corporate Data Warehouse (CDW) electronic health records datasets during FY2017-18. While various algorithms were applied to the CDW data, the main goal of this effort was to provide useful insights into the operational aspects (as opposed to the purely clinical aspect) of this specific implementation. Since there are not many reports in the public literature on advanced analytics applied to this data, this report provides unique insight in this regard. We focused on two machine learning (ML) applications: (1) clinical pathway inference (patterns dominating clinical pathways applied to a male dataset of Stable Ischemic Heart Disease patients as use case) and (2) medical-concept representation learning’s capability to inform and refine cohort membership based on probable patient outcomes. During our study on clinical pathway inference, we used two main modeling techniques: (a) topic probabilistic modeling (latent Dirichlet allocation [LDA]) and (b) feature imbedding. We observed that the applicability of LDA to the pathway inference remains in question. LDA provides results that are intuitive and easy for humans to comprehend; however, when applied to the pathway inference, it also generates pathway patterns that consist of a few dominant pathway components. In addition, LDA provides no information regarding the relationships among components in the same pathway. The outputs of LDA are also found to categorize patients based on their trace data of clinical procedures. However, the results suggest that LDA is biased toward statistically dominant components. This makes it particularly hard to discriminate pathway subbranches. To address the issue, we designed a new pathway inference methodology that integrates temporal ordering of pathway components into LDA results, as existing feature embedding tools such as word2vec are not readily applicable to our task. In addition, we developed our own feature embedding tool customized for patient traces. We conclude this study by suggesting two approaches to use embedding representation of a component into LDA and briefly list our lessons learned and recommendations for future work. For our study on medical-concept representation learning ability to inform and refine cohort membership based on probable patient outcomes, during our empirical evaluation we compared methods from medical-concept learning to standard one of a kind (one-of-K) encoding to evaluate the change in effectiveness as done in Choi, Schuetz, Stewart, and Sun (2016). We performed two primary empirical evaluations. The first evaluation was on a curated collection of 60,000 patients with no more than 1 year of medical history included. The second was a collection of patients with no restriction to the amount of medical history included. The hypothesis across both evaluations is that representation learning is broadly useful independent of downstream processing models; thus, for each experiment, we trained three models—a logistic regression model, a two-layer neural network model, and a nearest-neighbor model—and then averaged the results. Each model was trained using fivefold cross validation. We provided evidence that medical-representation learning improves predictions of the primary diagnosis category of a short patient history through 12 experiments. In addition, we provided evidence that medical-representation learning fails to improve prediction of the primary diagnosis category of an arbitrarily long patient history through 12 experiments. We conclude this study with a brief list of our lessons learned and recommendations for future work. We conclude the report with a discussion of recent technology trends as they relate to our artificial intelligence and, more specifically, to our ML research and approaches as described previously.

97 MATHEMATICS AND COMPUTING↗