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At least 1,171 records · Page 65

Semi-Analytical Hierarchical Bayesian Inference of Nonlinear Model Structure in Stochastic Dynamics: Applied to Compartmental Models of Infectious Diseases

A Bayesian computational framework for parsimonious inference in stochastic nonlinear dynamical systems is presented. This framework enables the concurrent estimation of system states, time-varying parameters, time-invariant parameters, and the optimal sparsity structure of the model parameters. Because differential equation-based models are often simplified mechanistic or phenomenological representations, robust inference from noisy measurement data requires explicit treatment of model error and uncertainty. Model error and time-varying parameters can be represented as random processes, enabling inference while making minimal assumptions about the underlying sources of discrepancy and variability. Adopting stochastic differential equation representations affords the model significant flexibility, but can also render it susceptible to overfitting during statistical inversion, where the inferred model may track noise rather than the underlying signal. To alleviate the effects of overfitting and to enable the discovery of the optimal sparse representation of the time-invariant parameters, a Bayesian sparse learning algorithm is embedded within the framework. This sparse learning framework adopts an approximate hierarchical Bayesian setting defined by a series of semi-analytical expressions. The model structure inference framework is validated using a stochastic compartmental model for tracking and forecasting active cases of an infectious disease. Compartmental models describe population-level infectious disease dynamics through interactions among population fractions grouped by disease state. Mathematically, such models consist of a system of coupled ordinary differential equations. This example adopts an expressive compartmental model that includes multiple possible interactions between disease states, motivated by early uncertainty surrounding COVID-19 reinfection dynamics and their implications for long-term epidemic forecasting. The sparse learning exercise permits the inference of a priori unknown epidemiological dynamics from simulated public health data, discovering the nested compartmental model that optimizes the trade-off between average data-fit and model complexity. It is shown that inducing sparsity among the model parameters eliminates redundant interactions between compartments, equivalently revealing the optimal coupling structure between differential equations.

97 MATHEMATICS AND COMPUTING↗

Application of advanced reliability methods to local strain fatigue analysis

When design factors are considered as random variables and the failure condition cannot be expressed by a closed form algebraic inequality, computations of risk (or probability of failure) might become extremely difficult or very inefficient. This study suggests using a simple, and easily constructed, second degree polynomial to approximate the complicated limit state in the neighborhood of the design point; a computer analysis relates the design variables at selected points. Then a fast probability integration technique (i.e., the Rackwitz-Fiessler algorithm) can be used to estimate risk. The capability of the proposed method is demonstrated in an example of a low cycle fatigue problem for which a computer analysis is required to perform local strain analysis to relate the design variables. A comparison of the performance of this method is made with a far more costly Monte Carlo solution. Agreement of the proposed method with Monte Carlo is considered to be good.

Wu, T. T.↗

Advanced reliability method for fatigue analysis

When design factors are considered as random variables and the failure condition cannot be expressed by a closed form algebraic inequality, computations of risk (or probability of failure) may become extremely difficult or very inefficient. This study suggests using a simple and easily constructed second degree polynomial to approximate the complicated limit state in the neighborhood of the design point; a computer analysis relates the design variables at selected points. Then a fast probability integration technique (i.e., the Rackwitz-Fiessler algorithm) can be used to estimate risk. The capability of the proposed method is demonstrated in an example of a low cycle fatigue problem for which a computer analysis is required to perform local strain analysis to relate the design variables. A comparison of the performance of this method is made with a far more costly Monte Carlo solution. Agreement of the proposed method with Monte Carlo is considered to be good.

Wu, Y.-T.↗

Robotic Target-Tracking Subsystem

Position and orientation of target measured in six degrees of freedom. Robotic vision subsystem measures relative position and orientation of specially designed target. Uses standard image-processing algorithms implemented directly in circuitry instead of computer programs. This feature makes it possible to extract complete sets of target-tracking data from successive image frames at rate of 30 frames per second. Five bright circles of target positioned in such way that video images of them processed into data on position and orientation of target relative to camera. Subsystem useful in industrial assembly operation requiring automatic joining of parts initially oriented and moving randomly.

Shawaga, Lawrence M.↗

Remote sensing of vegetation canopy photosynthetic and stomatal conductance efficiencies

The problem of remote sensing the canopy photosynthetic and stomatal conductance efficiencies is investigated with the aid of one- and three-dimensional radiative transfer methods coupled to a semi-empirical mechanistic model of leaf photosynthesis and stomatal conductance. Desertlike vegetation is modeled as clumps of leaves randomly distributed on a bright dry soil with partial ground cover. Normalized difference vegetation index (NDVI), canopy photosynthetic (Ep), and stomatal efficiencies (Es) are calculated for various geometrical, optical, and illumination conditions. The contribution of various radiative fluxes to estimates of Ep is evaluated and the magnitude of errors in bulk canopy formulation of problem parameters are quantified. The nature and sensitivity of the relationship between Ep and Es to NDVI is investigated, and an algorithm is proposed for use in operational remote sensing.

Myneni, R. B.↗

Physics-informed machine learning

Despite great progress in simulating multiphysics problems using the numerical discretization of partial differential equations (PDEs), one still cannot seamlessly incorporate noisy data into existing algorithms, mesh generation remains complex, and high-dimensional problems governed by parameterized PDEs cannot be tackled. Moreover, solving inverse problems with hidden physics is often prohibitively expensive and requires different formulations and elaborate computer codes. Machine learning has emerged as a promising alternative, but training deep neural networks requires big data, not always available for scientific problems. Instead, such networks can be trained from additional information obtained by enforcing the physical laws (for example, at random points in the continuous space-time domain). Such physics-informed learning integrates (noisy) data and mathematical models, and implements them through neural networks or other kernel-based regression networks. Moreover, it may be possible to design specialized network architectures that automatically satisfy some of the physical invariants for better accuracy, faster training and improved generalization. Furthermore, we review some of the prevailing trends in embedding physics into machine learning, present some of the current capabilities and limitations and discuss diverse applications of physics-informed learning both for forward and inverse problems, including discovering hidden physics and tackling high-dimensional problems.

97 MATHEMATICS AND COMPUTING↗

Polarization-agnostic continuous-variable quantum key distribution

Here, we introduce a polarization-agnostic method for Gaussian-modulated coherent-state (GCMS) continuous-variable quantum key distribution (CVQKD). Due to the random and continuous nature of the GCMS protocol, Alice, the transmitter, can encode two distinct quadratures in each of two orthogonal polarization modes, such that Bob, the receiver, measures valid GCMS quadratures in a single polarization mode even when polarization changes occur during transmission. This method does not require polarization correction in the optical domain, does not require monitoring both polarization modes, reduces loss by eliminating optical components, and avoids the noise injected by polarization correction algorithms.

Williams, Brian P. [Oak Ridge National Laboratory ↗

Satellite Optical Remote Sensing of Clouds and Aerosols: From Particle Single-Scattering and Gaseous Absorption Through Radiative Transfer to Retrieval Products

Clouds and aerosols are fundamental regulators of Earth’s radiation budget and climate system, influencing both solar and terrestrial radiation through scattering, absorption, and emission processes. Accurate characterization of their physical and radiative properties from space requires a rigorous understanding of particle single-scattering, gaseous absorption, and radiative transfer in the atmosphere, as well as reliable inversion methods. This review synthesizes the physical foundations and algorithmic implementations of satellite-based passive optical remote sensing of clouds and aerosols, spanning the ultraviolet to thermal infrared spectral range. Beginning with electromagnetic scattering theory and state-of-the-art methods for computing single-scattering by nonspherical particles and computationally efficient methods for accounting for atmospheric absorption, we discuss the radiative transfer framework underpinning cloud and aerosol retrievals. The connection between single-scattering and multiple-scattering is rigorously formulated. We then summarize operational and research-grade retrieval techniques, including cloud masking and thermodynamic phase determination, CO₂ slicing for cloud-top pressure, the Nakajima-King shortwave bi-spectral, and infrared split-window approaches for cloud optical thickness and effective particle size, inversion algorithms for determining aerosol properties from multi-spectral and/or multi-angle radiometric and polarimetric measurements, and active-passive sensing synergy. Examples of the global cloud and aerosol climatologies are illustrated using observations from the Moderate Resolution Imaging Spectroradiometer (MODIS) and the Multi-angle Imaging SpectroRadiometer (MISR). Furthermore, the unique strengths of active remote sensing techniques based on spaceborne lidar observations are briefly elaborated in the context of studying ice clouds composed of randomly and horizontally oriented ice crystals, which is a significant challenge for conventional passive remote sensing techniques. By connecting physical theory to practical retrievals, this review highlights both the maturity of current methodologies and the remaining challenges in reducing uncertainties in particle morphology, vertical structure, absorption, and aerosol-cloud interactions. Furthermore, the impact of artificial intelligence (AI) on atmospheric remote sensing is briefly addressed.

Aerosols↗

Modeling plasticity-mediated void growth at the single crystal scale: A physics-informed machine learning approach

Modeling the evolution of voids during plastic flow as well as their effects on plastic dissipation is critical for both component manufacturing and lifetime estimation purposes. To this end, we propose a rate-dependent constitutive model to homogenize the effects of semi-randomly distributed voids on single crystal plasticity whilst capturing void interaction and plastic anisotropy. Here, this present work focuses on the case of face centered cubic crystals to introduce an anisotropic gauge function applicable within the crystal plasticity formalism. The approach combines analytical methods to describe the micromechanics of the system in combination with symbolic regression to capture analytically intractable mechanisms from data. The hybrid framework uses a physics-informed genetic programming-based symbolic regression algorithm to solve a multiform optimization problem simultaneously producing a new gauge function and a new strain rate equation. This is also a multi-objective optimization problem with many competing objectives. A new search and selection step is introduced to the genetic algorithm that promotes convergence toward a global solution that better satisfies all the objectives. Overall, the symbolic equations produced leverage data-driven methods to achieve greater accuracy than comparable alternatives on an analytically intractable problem while maintaining model transparency.

36 MATERIALS SCIENCE↗

Dynamic Behavior of Natural Seep Vents: Analysis of Field and Laboratory Observations and Modeling (Final Scientific/Technical Report)

In this project, we have analyzed data collected by the U.S. Department of Energy (DOE), National Energy Technology Laboratory (NETL) in a high pressure water tunnel (HPWT) and data from two research cruises to natural seeps in the Gulf of Mexico to adapt and validate a numerical model to predict the dynamics of natural seeps in the deep oceans. The HPWT data include video observations of the shrinkage rate of individual methane and natural gas bubbles under simulated deep-water conditions. Field data were collected during two cruises by the Gulf Integrated Spill Research (GISR) Consortium led by Texas A&M University and funded by the Gulf of Mexico Research Initiative (GoMRI). These data included in situ observations from a remotely operated vehicle (ROV) of gas bubbles at two natural seep sites in the Gulf and acoustic observations of the natural seep bubble flares in the ocean water column. The acoustic data were from multibeam echosounders, one mounted in a forward-looking orientation on the ROV and another mounted down-looking in the haul of the ship. All of these laboratory and field data were focused on the dynamics of natural gas bubbles at temperatures and pressures favorable for clathrate hydrate formation between the gas and water. Our analyses of this data focused on understanding the mechanisms responsible for gas bubble dissolution within the hydrate stability zone (HSZ) of the oceans. Ice-like hydrate shells may form on the bubble-water interface under these conditions, and it was unknown how this might affect the mass transfer of gas into the ocean. We were able to extract bubble shrinkage rates from the HPWT datasets. Using this data we determined that mass transfer coefficients with and without a hydrate shell match empirical values for bubbles in contaminated systems (so-called dirty bubbles contaminated by naturally occurring surfactants). We also showed that free gas, and not gas hydrate, is the dominant dissolving phase when the hydrate sub-cooling is below 11 degree Celsius (temperature difference between hydrate the hydrate formation temperature and ambient temperator) or the pressure is reducing as bubbles rise through the ocean water column. Using this mass transfer model, our numerical model of bubble dissolution matched the over 200 HPWT experiments with an average error of 10% for predicting the bubble size at the end of an experiment. From field data in the literature, we also observed that gas bubbles dissolve faster when they are initially released, following mass transfer coefficients for so-called clean-bubbles (those not yet contaminated by surfactants). Shortly after release within the HSZ, a hydrate shell forms on the bubble-water interface, and the mass transfer reduces to rates matching those of dirty bubbles. We correlated this transition time from clean to dirty bubble behavior with the initial bubble surface area and the hydrate sub-cooling. With this model for hydrate formation time and using the mass transfer coefficients deduced from the HPWT data, we validated our numerical model for predicting the rise heights of natural seep flares in the oceans. Flare heights are commonly observed in haul-mounted acoustic multibeam data. The numerical model predicts bubbles to rise high in the ocean water column owing to the slower mass transfer rates for dirty bubbles that accompany the majority of their rise time. We found that the numerical model predictions matched the observed flare heights within 5% to 10% accuracy when we compared the rise heights of the largest bubbles released from the seafloor with the bubbles acoustically visible in the multibeam data. Bubbles become acoustically transparent as they shrink to sizes of order 1 mm in diameter for the multibeam frequencies used in the field. The forward-looking multibeam on the ROV also provided data on the lateral spreading of bubbles in natural seep flares. Our analysis of this data showed that spreading follows a diffusion process, with the effective diffusivity correlating with the wobbling length scale of these ellipsoidal bubbles. When we apply this diffusivity in a random displacement model of bubble spreading, our numerical simulations match closely the lateral spread observed by the M3 in the ocean water column. Finally, we compared the seep model predictions for the acoustic properties of these natural seep plumes with that observed by the acoustic instruments in the field. The M3 and EM 302 observations were converted to relative values of target strength using a calibration we obtained in the laboratory for the M3 and using an algorithm from the manufacturer for the EM 302. Comparing the numerical seep model to these data, we obtain good agreement over the whole height of rise of these bubble flares. This further validates the numerical model. Overall, our validated seep model captures the key dynamics of gas bubbles released from natural seeps in the oceans and helps to predict the fate of methane in the water column.

03 NATURAL GAS↗

A simple attitude data filter for three-axis attitude initialization for autonomous ascent of Shuttle-launched spacecraft

A method for accurately initializing spacecraft attitude after release from the Orbiter is described. It is noted that the method is suitable for an autonomous ascent to mission orbit. Test results are given from a FORTRAN simulation of the estimation algorithm using measurement data from a detailed spacecraft dynamics simulation program. The technique here is orbital yaw-gyrocompassing. Attitude is estimated through a Kalman filter, using pitch and roll measurements from an earth sensor, while gyro data provide the system dynamics information. In the tests described, gyro and earth sensor data are generated by an existing control system simulation of earth-search and yaw-gyrocompassing attitude dynamics; they include realistic errors such as delays, random noise and quantization effects. The estimated attitude history is compared with the true attitude history from the simulation program to assess the accuracy and convergence of the filter in the presence of noisy measurements and disturbances, including thruster firings for momentum control. It is noted that since the earth sensor provides direct measurements of pitch and roll, the main criterion of filter performance is yaw accuracy.

Joshi, R. T.↗

Remote Sensing techniques used to characterize soil erosion in southwestern Sao Paulo state

Within randomly sampled squares of a 1 km x 1 km grid, rill/gullies frequency, land cover/land use type and shape of the slopes were extracted from aerial photographs of the Ribeirao Anhumas drainage basin. Mean slope gradient, stream frequency and slope length were calculated on topographic maps. Ground truth data on fine sand/coarse sand ratio and vegetation cover densities were obtained. The MSS-LANDSAT-2 data (CCTs) were analyzed using single-cell, cluster synthesis and slicer algorithms. Graphical and statistical analyses of the data indicate that different slope gradients and land cover/land use types are the most significant factors related to the soil erosion process. The digital analysis of MSS data allowed the association among gray level classes and vegetation cover classes, which defined seven classes. These gray level classes and slope gradient classes were used to rank erosion risk.

Parada, N. D. J.↗

Cascade Optimization Strategy for Aircraft and Air-Breathing Propulsion System Concepts

Design optimization for subsonic and supersonic aircraft and for air-breathing propulsion engine concepts has been accomplished by soft-coupling the Flight Optimization System (FLOPS) and the NASA Engine Performance Program analyzer (NEPP), to the NASA Lewis multidisciplinary optimization tool COMETBOARDS. Aircraft and engine design problems, with their associated constraints and design variables, were cast as nonlinear optimization problems with aircraft weight and engine thrust as the respective merit functions. Because of the diversity of constraint types and the overall distortion of the design space, the most reliable single optimization algorithm available in COMETBOARDS could not produce a satisfactory feasible optimum solution. Some of COMETBOARDS' unique features, which include a cascade strategy, variable and constraint formulations, and scaling devised especially for difficult multidisciplinary applications, successfully optimized the performance of both aircraft and engines. The cascade method has two principal steps: In the first, the solution initiates from a user-specified design and optimizer, in the second, the optimum design obtained in the first step with some random perturbation is used to begin the next specified optimizer. The second step is repeated for a specified sequence of optimizers or until a successful solution of the problem is achieved. A successful solution should satisfy the specified convergence criteria and have several active constraints but no violated constraints. The cascade strategy available in the combined COMETBOARDS, FLOPS, and NEPP design tool converges to the same global optimum solution even when it starts from different design points. This reliable and robust design tool eliminates manual intervention in the design of aircraft and of air-breathing propulsion engines where it eases the cycle analysis procedures. The combined code is also much easier to use, which is an added benefit. This paper describes COMETBOARDS and its cascade strategy and illustrates the capability of the combined design tool through the optimization of a subsonic aircraft and a high-bypass-turbofan wave-rotor-topped engine.

Patnaik, Surya N.↗

Consumer safety-oriented scheduling of rotating power outages during heat waves

Extreme heat events have widespread effects on power systems, reducing available generation capacity, limiting transmission capabilities, and causing unusual demand patterns on the consumer side. As these combined effects expose bulk transmission systems to potential large-scale blackouts, utilities may be required to schedule and apply rotating outages, by temporarily and alternately disconnecting distribution substations to reduce overload. However, utilities lack mechanisms to inform these events, exacerbating the negative effects of heat waves on affected communities. This paper introduces a novel framework for scheduling rotating outages during heat waves while considering impacts on consumers’ safety. Instead of random sequential load shedding, we propose a methodology to rotate power outages considering a metric that quantifies the indoor overheating risk of groups of consumers during a power outage. The overheating risk is derived from a detailed building simulation using CityBES, where the buildings are modeled based on available data—use type, year built, floor area, number of stories, location—while presence of air conditioning and occupancy are calibrated from smart meter data. Based on the metric, an algorithm to schedule the rotating outages is applied to prioritize feeders for disconnection at each hour according to their overheating risk to meet a utility load reduction target. Applied to two substations and seven feeders in the Portland General Electric territory, the results show that this approach effectively leads to the lowest overheating risk during the resulting outage schedules, with an average 10.1% lower overheating compared to uninformed schedules.

Building thermal simulation↗

Quantum-Inspired Bayesian Sampling for Uncertainty Quantification and Machine Learning (Final Technical Report)

With increasing simulation and measurement data, machine learning and artificial intelligence have been widely used in computational decision-making of complex engineering systems. The resulting tools, such as uncertainty quantification solvers, reinforcement learning, and physics-informed machine learning, have achieved great success in critical DOE tasks such as material discovery and design, energy system modeling and control, and numerical weather and climate prediction. A core topic in scientific machine learning and artificial intelligence is Bayesian inference: given an observed data set, people want to estimate the posterior distribution of a (possibly large) number of hidden parameters. Due to the flexibility and weak assumptions, Bayesian sampling has been the mainstream Bayesian inference solvers despite the rapid progress of approximate Bayesian inference. Classical Bayesian sampling methods such as Markov-chain Monte Carlo suffer from a low-acceptance rate due to the random walk nature, therefore state-of-the-art techniques use Hamiltonian Monte Carlo and its variants to efficiently draw posterior samples in a high dimension. The key idea of Hamiltonian Monte Carlo and its variants is to simulate the Hamiltonian dynamics of a classical particle with a fixed mass, and their performance significantly degrades when the posterior distribution is highly spiky or has multiple modes. Leveraging the idea of quantum physics, this project has investigated new theory, algorithms and applications of Bayesian inference (especially Bayesian sampling). The main results include: (1) novel quantum-inspired Bayesian sampling methods that can lead to better accuracy for challenging multi-modal or spiky distributions, (2) more scalable machine learning framework leveraging tensor-compressed Bayesian inference, and (3) Bayesian and sampling approaches for verifying the robustness of continuous and binary neural networks.

97 MATHEMATICS AND COMPUTING↗

A model of asynchronous iterative algorithms for solving large, sparse, linear systems

Solving large, sparse, linear systems of equations is one of the fundamental problems in large scale scientific and engineering computation. A model of a general class of asynchronous, iterative solution methods for linear systems is developed. In the model, the system is solved by creating several cooperating tasks that each compute a portion of the solution vector. This model is then analyzed to determine the expected intertask data transfer and task computational complexity as functions of the number of tasks. Based on the analysis, recommendations for task partitioning are made. These recommendations are a function of the sparseness of the linear system, its structure (i.e., randomly sparse or banded), and dimension.

Reed, D. A.↗

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↗

Detecting Important Drivers of Gridded Population Modeling With Machine Learning

High-resolution population datasets have been lever-aged across a broad swath of domains, such as climate change, public policy, humanitarian aid, and rescue operations, among others. Machine learning methods were adopted to generate high-resolution or gridded population estimates by using various geospatial input features such as buildings, roads, and nighttime lights. In this study, we evaluate the importance of population features using Random Forest models across three levels of analysis, utilizing permutation measures. Our research aims to address key questions to enhance our understanding of high-resolution population modeling, such as: Are certain features globally (10 countries collectively) more important than others? Do optimal features vary by country? Within each country, do feature importance differ across administrative units? What similarities exist in feature importance at the global, country, and administrative unit levels? To answer these questions, we leverage the Kneedle algorithm to automate the selection of optimum features. We find that there are patterns displayed by features across spatial boundaries, evidenced by the same feature being the most important indicator of population across 7 of the 10 countries modeled. Our findings indicate that while important features may vary across geographies, certain features consistently hold greater importance than others agnostic of geography.

Lebakula, Viswadeep [ORNL] (ORCID:0000000152935914↗