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All sources NASA NTRS DOE OSTI

DOE OSTI2019

Resurgent extrapolation: rebuilding a function from asymptotic data. Painlevé I

Extrapolation is a generic problem in physics and mathematics: how to use asymptotic data in one parametric regime to learn about the behavior of a function in another parametric regime. For example: extending weak coupling expansions to strong coupling, or high temperature expansions to low temperature, or vice versa. Such extrapolations are particularly interesting in systems possessing dualities. Here we study numerical procedures for performing such an extrapolation, combining ideas from resurgent asymptotics with well-known techniques of Borel summation, Padé approximants and conformal mapping. We illustrate the method with the concrete example of the Painlevé I equation, which has applications in many branches of physics and mathematics. Starting solely with a finite number of coefficients from asymptotic data at infinity on the positive real line, we obtain a high precision extrapolation of the function throughout the complex plane, even across the phase transition into the pole region. The precision far exceeds that of state-of-the-art numerical integration methods along the real axis. Furthermore, the methods used are both elementary and general, not relying on Painlevé integrability properties, and so are applicable to a wide class of extrapolation problems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Data-driven surrogates for high dimensional models using Gaussian process regression on the Grassmann manifold

This paper introduces a surrogate modeling scheme based on Grassmannian manifold learning to be used for cost-efficient predictions of high-dimensional stochastic systems. The method exploits subspace-structured features of each solution by projecting it onto a Grassmann manifold. This point-wise linear dimensionality reduction harnesses the structural information to assess the similarity between solutions at different points in the input parameter space. The method utilizes a solution clustering approach in order to identify regions of the parameter space over which solutions are sufficiently similarly such that they can be interpolated on the Grassmannian. In this clustering, the reduced-order solutions are partitioned into disjoint clusters on the Grassmann manifold using the eigen-structure of properly defined Grassmannian kernels and, the Karcher mean of each cluster is estimated. Then, the points in each cluster are projected onto the tangent space with origin at the corresponding Karcher mean using the exponential mapping. For each cluster, a Gaussian process regression model is trained that maps the input parameters of the system to the reduced solution points of the corresponding cluster projected onto the tangent space. Using this Gaussian process model, the full-field solution can be efficiently predicted at any new point in the parameter space. In certain cases, the solution clusters will span disjoint regions of the parameter space. In such cases, for each of the solution clusters we utilize a second, density-based spatial clustering to group their corresponding input parameter points in the Euclidean space. The proposed method is applied to two numerical examples. Here, the first is a nonlinear stochastic ordinary differential equation with uncertain initial conditions where the surrogate is used to predict the time history solution. The second involves modeling of plastic deformation in a model amorphous solid using the Shear Transformation Zone theory of plasticity, where the proposed surrogate is used to predict the full strain field of a material specimen under large shear strains.

42 ENGINEERING↗

NASA NTRS1988

Autonomous control systems - Architecture and fundamental issues

A hierarchical functional autonomous controller architecture is introduced. In particular, the architecture for the control of future space vehicles is described in detail; it is designed to ensure the autonomous operation of the control system and it allows interaction with the pilot and crew/ground station, and the systems on board the autonomous vehicle. The fundamental issues in autonomous control system modeling and analysis are discussed. It is proposed to utilize a hybrid approach to modeling and analysis of autonomous systems. This will incorporate conventional control methods based on differential equations and techniques for the analysis of systems described with a symbolic formalism. In this way, the theory of conventional control can be fully utilized. It is stressed that autonomy is the design requirement and intelligent control methods appear at present, to offer some of the necessary tools to achieve autonomy. A conventional approach may evolve and replace some or all of the `intelligent' functions. It is shown that in addition to conventional controllers, the autonomous control system incorporates planning, learning, and FDI (fault detection and identification).

Antsaklis, P. J.↗

NASA NTRSDate not supplied

Recent Progress on Rans-Based Transition Model Verification

The current efforts to assess and improve the Reynolds-averaged Navier-Stokes (RANS)-coupled transition models in the NASA FUN3D and OVERFLOW codes are summarized in this study. The first AIAA Transition Modeling Workshop and the NATO AVT-313 Transition Workshop both emphasized the need for code verification for transport equations based transition models as a top priority. We discuss the methods used for the model verification, the resulting grid families, the flow solutions, and other supporting information collected with at least two established NASA flow solvers, namely, FUN3D and OVERFLOW. These results, which will be uploaded onto the NASA Turbulence Modeling Resource, should assist other members of the computational fluid dynamics (CFD) community in verifying their own implementations of various transition models, such as the Langtry-Menter (LM2009) model, the one-equation γ model, and Coder’s amplification factor transport (AFT) model. Grid convergence is assessed using both global and local flow metrics of interest such as lift and drag as well as local skin-friction coefficients. We also explore the anisotropic unstructured metric-based adaptive mesh refinement library known as refine with the NASA FUN3D solver to determine if this capability can achieve the same accuracy as handcrafted structured grids with a significantly smaller node count and to learn the characteristics of the resulting grid distribution, especially in the vicinity of the transition zone.

Transition↗

NASA NTRSDate not supplied

Recent Progress on RANS-Based Transition Model Verification

RANS↗

DOE OSTI2025

Subject-specific modeling framework for particle deposition using computational fluid dynamics

Quantifying particle deposition and dose in the respiratory tract requires a physiologically realistic representation and reproducible computational workflows. However, existing modeling frameworks, such as the International Commission on Radiological Protection (ICRP) compartmental models and the Multiple Path Particle Dosimetry (MPPD) tool, lack detailed deposition profiles and subject-specific capabilities. The combination of advances in computer vision algorithms applied to the respiratory tract and Computational Fluid and Particle Dynamics (CFPD) allows high-fidelity simulations of particle behavior in anatomically accurate geometries derived from individual CT scans. The segmentation, preprocessing, and file preparation task for a CFPD simulation was often time-consuming, and no prior studies to-date have yet presented a fully automated framework. This work presents a fully automated workflow to obtain individualized particle deposition profiles in the human respiratory tract. The pipeline starts with segmenting upper and lower airway geometries using morphological and deep learning-based methods, generating three-dimensional (3D) models from CT imaging data. Next, a series of algorithms are presented to quality check and prepare the 3D geometry for a CFD or CFPD simulation. The preprocessing step includes correcting geometric artifacts, enforcing a physically consistent mesh, and automatically identifying and capping multiple outlets, which is required for CFD/CFPD simulations. These processed models are then input into open-source (OpenFOAM) or commercial (StarCCM+) CFD solvers, where flow and transient particle transport equations — including turbulence and particle–wall interactions are solved under realistic breathing conditions. Finally, the resulting particle deposition profiles can be integrated with Monte Carlo radiation transport codes and state-of-the-art computational phantoms to assess organ-specific absorbed doses in scenarios of radioactive aerosol inhalation. The presented work streamlines respiratory tract segmentation, preprocessing for CFD/CFPD simulations, and integration with dose assessment workflows, reducing manual intervention and improving access to high-fidelity, subject-specific modeling. The high precision in predicted particle deposition and dose distributions can improve personalized treatment strategies in respiratory medicine and refine dose estimates for radiation protection.

AI↗

DOE OSTI2022

Physics-informed neural networks for identification of material properties using standing waves

A metallic structure in its initial stage of failure involves plastic deformation or environmental degradation that changes the elastic modulus and density. This work presents the detection of change in wave velocity (a function of elastic modulus and density) as a system identification problem. A physics-informed neural network (PINN) is proposed to solve the system identification problem. The PINN takes the spatial coordinates of scanning locations and time as inputs and provides the displacement and wave velocity as outputs. The governing partial differential equation of standing waves in a rod is incorporated into the neural network as physics in the form of a loss function. The wave velocity vector is randomly initiated. During the training of the network, physics is used to determine and update the wave velocity target vector from the network’s displacement predictions. The measured data, comprising sparse displacement response on the rod structure, are used to train the PINN. The wave velocity at the sparse locations on the rod is learned from the predicted displacements during the training. Using the predictions of the trained network, the response of free vibration or material property variation can be reconstructed at unscanned locations on the structure to obtain high-resolution maps for full-field imaging to detect and localize the changes caused by plastic deformation. The PINN’s sparse scanning and simultaneous prediction capability during training can lead to high scanning and data-processing speeds. This capability yields a nondestructive evaluation system that can predict the presence of degraded material locations as the structural vibrations are scanned and processed in real time.

Rathod, Vivek↗

NASA NTRS1985

Direct measurements of severe spacecraft charging in auroral ionosphere

Questions are addressed concerning how large space structures in polar orbit will interact with auroral environments. Because spacecraft charging at ionospheric attitudes does not seriously threaten the operation of today's relatively small polar satellites the subject of environment interactions has not received the widespread attention given to it at geostationary altitude. As a matter of economics it is desirable to apply as much as possible of what was learned about spacecraft interactions at geostationary orbit to low Earth orbits. The environment at auroral latitudes in the ionosphere differs from that encountered at geostationary altitude in at least two major aspects. (1) There is a large reservoir of high-density, cold plasma which tends to mitigate charging effects by providing a large source of charged particles from which neutralizing currents maybe drawn. Significant wake effects behind large structures will introduce new problems with differential charging. (2) Between the magnetic equator and the ionosphere, auroral electrons frequently undergo field-aligned accelerations of several kilovolts. In such environments, fluxes of energetic protons are usually below the levels of instrumentation sensitivity.

Burke, W. J.↗

NASA NTRS1993

A new approach for designing self-organizing systems and application to adaptive control

There is tremendous interest in the design of intelligent machines capable of autonomous learning and skillful performance under complex environments. A major task in designing such systems is to make the system plastic and adaptive when presented with new and useful information and stable in response to irrelevant events. A great body of knowledge, based on neuro-physiological concepts, has evolved as a possible solution to this problem. Adaptive resonance theory (ART) is a classical example under this category. The system dynamics of an ART network is described by a set of differential equations with nonlinear functions. An approach for designing self-organizing networks characterized by nonlinear differential equations is proposed.

Ramamoorthy, P. A.↗

DOE OSTI2025

CLPNets: Coupled Lie–Poisson neural networks for multi-part Hamiltonian systems with symmetries

To accurately compute data-based prediction of Hamiltonian systems, it is essential to utilize methods that preserve the structure of the equations over time. We consider a particularly challenging case of systems with interacting parts that do not reduce to pure momentum evolution. Such systems are essential in scientific computations, such as discretization of a continuum elastic rod, which can be viewed as the group of rotations and translations $SE(3)$. The evolution involves not only the momenta but also the relative positions and orientations of the particles. The presence of Lie group-valued elements, such as relative positions and orientations, poses a problem for applying previously derived methods for data-based computing. We develop a novel method of data-based computation and complete phase space learning of such systems. We follow the original framework of SympNets (Jin et al., 2020) and LPNets (Eldred et al., 2024), building the neural network from phase space mappings that preserve the Lie–Poisson structure. We derive a novel system of mappings that are built into neural networks describing the evolution of such systems. We call such networks Coupled Lie–Poisson Neural Networks, or CLPNets. We consider increasingly complex examples for the applications of CLPNets, starting with the rotation of two rigid bodies about a common axis, progressing to the free rotation of two rigid bodies, and finally to the evolution of two connected and interacting $SE(3)$ components, describing the discretization of an elastic rod into two elements. Our method preserves all Casimir invariants to machine precision, preserves energy to high accuracy, and shows good resistance to the curse of dimensionality, requiring only a few thousand data points for all cases studied (three to eighteen dimensions). Additionally, the method is highly economical in memory requirements, requiring only about 200 parameters for the most complex case considered.

Data-based modeling↗

DOE OSTI2017

How to sustain a CO 2 -thermosiphon in a partially saturated geothermal reservoir: Lessons learned from field experiment and numerical modeling

CO 2 has been proposed as a working fluid for geothermal energy production because of its ability to establish a self-sustaining CO 2 thermosiphon, taking advantage of the strong temperature dependence of CO 2 density. To test the concept of CO 2 heat extraction, in January 2015 a CO 2 thermosiphon was operated at the SECARB Cranfield Site, Cranfield, Mississippi, where a brine-saturated sand at a depth of 3.2 km has been under near continuous CO 2 flood since December 2009 as part of a U.S. Department of Energy demonstration of CO 2 sequestration, resulting in a partially saturated reservoir surrounding a well pair. The lateral distance between the producer and injector was 112 m at reservoir depth, a distance considered pre-commercial in scale, but great enough that thermal breakthrough was still not significant after several years of injection. Instead of producing power with a turbine, heat was extracted heat from recirculated fluid using a heat exchanger and portable chiller. The well field and surface equipment were instrumented to compare field observations with predicted responses from numerical models. Thermosiphon flow could be initiated by venting, but thereafter flow rate steadily declined, indicating that the thermosiphon was not sustainable. To model the system, the capability of T2Well, a fully coupled wellbore/reservoir numerical simulator, was expanded to enable simulation of the entire loop of fluid circulation in the fully-coupled system consisting of the injection/production wells, the reservoir, and the surface devices (heat exchanger, flow-rate regulator etc.). Combined with the newly developed TOUGH2 equation of state module called EOS7CMA, the enhanced T2 Well was used prior to the field experiment to simulate the circulation of a CO 2 -H 2 O-CH 4 mixture in a model geothermal system patterned after the Cranfield demonstration test. The model predicted that a sustainable thermosiphon could be achieved. After the field thermosiphon did not achieve the pre-test prediction of flow rates and thermosiphon sustainability, the numerical model was modified to improve realism and calibrate certain processes; it was then able to reproduce the major phenomena observed in the field. In a series of sensitivity studies, many factors were found that could potentially contribute to the failing of a sustainable thermosiphon. These factors could be categorized as two types: factors that increase the resistance to flow and factors that increase heat loss of the working fluid. In conclusion, the lessons learned can be applied to both future modeling and to achieving CO 2 -based geothermal reservoir exploitation.

15 GEOTHERMAL ENERGY↗

DOE OSTI2023

Code Demonstration: Approximation of nearly-periodic symplectic maps via structure-preserving neural networks

In this notebook, we use the symplectic gyroceptron architecture from [Duruisseaux et al., 2022] to learn a surrogate map for the nearly-periodic symplectic flow map associated to a nearly-periodic Hamiltonian system composed of two nonlinearly coupled oscillators, where one of them oscillates significantly faster than the other: $\Big\lbrace$ $ {\dot{q}_1 = p_1 \hspace{5mm} \dot{p}_1 = -q_1 - \epsilon \partial_{q1}U(q_1 , q_2 )} \atop {\dot{q}_2 = \epsilon p_2 \hspace{4mm} \dot{p}_2 = -\epsilon q_2 - \epsilon \partial_{q2}U(q_1 , q_2 )}$. These equations of motion are the Hamilton's equations associated to the Hamiltonian $H_{\epsilon}(q_1,q_2,p_1,p_2)=\frac{1}{2}(q^2_1+p^2_1)+\frac{1}{2}\epsilon(q^2_2+p^2_2)+\epsilon$$U(q_1,q_2)$.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Symbolic regression development of empirical equations for diffusion in Lennard-Jones fluids

Symbolic regression (SR) with a multi-gene genetic program has been used to elucidate new empirical equations describing diffusion in Lennard-Jones (LJ) fluids. Some examples include equations to predict self-diffusion in pure LJ fluids and equations describing the finite-size correction for self-diffusion in binary LJ fluids. The performance of the SR-obtained equations was compared to that of both the existing empirical equations in the literature and to the results from artificial neural net (ANN) models recently reported. It is found that the SR equations have improved predictive performance in comparison to the existing empirical equations, even though employing a smaller number of adjustable parameters, but show an overall reduced performance in comparison to more extensive ANNs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Analysis of Lobe Power Calculator and Indication System with Physics and Cycle Based Models

The Advanced Test Reactor (ATR) at INL measures reactor power through various methods, two of them being thermal and Nitrogen-16 (N-16) activity. Water power calculator (WPC) is a thermal power system that measures flow and temperature to determine thermal quadrant powers. The N-16 system utilizes a beta detector that outputs Nitrogen activation levels to calculate lobe power through an algorithm called Lobe Power Calculation and Indication system (LPCIS). The LPCIS utilizes the N-16 system and the WPC system to determine reactor core power levels. The WPC provides accurate calculations of quadrant and total reactor thermal power. With the use of WPC measurements, thermal-to-N-16 (T2N) power ratios are produced to determine if the two indication systems agree on core power. Relative magnitude equations are used to utilize N-16 coefficients and multipliers to improve the indications of the LPCIS. These correct indications are crucial for maintaining safety limits because operators rely on this information for decision making. Currently, the LPCIS system uses linear equations and matrices to calculate lobe power through multipliers and coefficients. Advancements in technology and system upgrades have increased the accuracy of power readings by making the system more dynamic. The new proposed coefficient and multiplier method implements a cycle specific and physics-based model intended for changing coefficients during operation. This calibration experiment focused on power splitting, outer shim and neck shim, as well as fuel burning into the reactor digital acquisition system (RDAS) weighting factors. Results demonstrated that the physics learning method yields a smaller error margin inside of the desired power range for the data set 166-A. Continuing to improve the physics-based model will help improve the power accuracy of the LPCIS system.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Encoding nonlinear and unsteady aerodynamics of limit cycle oscillations using nonlinear sparse Bayesian learning

This article investigates the applicability of a recently proposed, nonlinear sparse Bayesian learning (NSBL) algorithm to identify and estimate the complex aerodynamics of limit cycle oscillations. NSBL provides a semi-analytical framework for determining the data-optimal sparse model nested within a (potentially) over-parameterized model. This is particularly relevant to nonlinear dynamical systems where modelling approaches involve the use of physics-based and data-driven components. In such cases, the data-driven components, where analytical descriptions of the physical processes are not readily available, are often prone to overfitting, meaning that the empirical aspects of these models will often involve the calibration of an unnecessarily large number of parameters. While an overparameterized model may fit the observed data well, such models may be inadequate for making predictions in regimes that are different from those wherein the data were recorded. In view of this, it is desirable to not only calibrate the model parameters, but also identify the optimal compromise between data fit and model complexity. In this article, we exhibit the optimal model discovery for an aeroelastic system wherein the structural dynamics are well-known and described by a differential equation model, coupled with a semi-empirical aerodynamic model for laminar separation flutter, resulting in low-amplitude limit cycle oscillations (LCO). To illustrate the performance of the algorithm, in this article, we use synthetic data and demonstrate the ability of the algorithm to correctly rediscover the optimal model and model parameters, given a known data-generating model. The synthetic data are generated from a forward simulation of a known differential equation model with parameters selected so as to mimic the dynamics observed in wind-tunnel experiments. Subsequently, we demonstrate the performance of the algorithm for model selection using noisy LCO data from wind tunnel experiments. As there is no ground truth available for the experimental data case, we provide a comparison between NSBL and Bayesian model selection to validate the results, and demonstrate the use of NSBL as an efficient alternative to traditional methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Confidence Calibration Metrics

This technical report serves to summarize a literature search conducted that covered confidence calibration. This report is meant to serve as a solid starting reference for individuals interested in learning more about the confidence calibration domain as well as for individuals more familiar with this work – as a summarizing document for calibration metrics is notably lacking in the literature. This report is not meant to serve as a comprehensive review of everything that has been done in this field – in fact, the reader is encouraged to look further into this domain. We describe confidence and calibration and discuss properties of good calibration metrics. We detail various calibration and calibration-tangential metrics, presenting equations, algorithms, parameters, and an analysis of strengths and weaknesses. We apply a subset of these metrics to eight proxy confidence assessment datasets. We examine the various metrics in the context of model confidence. Finally, we discuss promising future directions and outstanding questions.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1993

Development of programmable artificial neural networks

Conventionally programmed digital computers can process numbers with great speed and precision, but do not easily recognize patterns or imprecise or contradictory data. Instead of being programmed in the conventional sense, artificial neural networks are capable of self-learning through exposure to repeated examples. However, the training of an ANN can be a time consuming and unpredictable process. A general method is being developed to mate the adaptability of the ANN with the speed and precision of the digital computer. This method was successful in building feedforward networks that can approximate functions and their partial derivatives from examples in a single iteration. The general method also allows the formation of feedforward networks that can approximate the solution to nonlinear ordinary and partial differential equations to desired accuracy without the need of examples. It is believed that continued research will produce artificial neural networks that can be used with confidence in practical scientific computing and engineering applications.

Meade, Andrew J.↗

DOE OSTI2020

An investigation of Newton-Sketch and subsampled Newton methods

Sketching, a dimensionality reduction technique, has received much attention in the statistics community. In this paper, we study sketching in the context of Newton's method for solving finite-sum optimization problems in which the number of variables and data points are both large. In this work, we study two forms of sketching that perform dimensionality reduction in data space: Hessian subsampling and randomized Hadamard transformations. Each has its own advantages, and their relative tradeoffs have not been investigated in the optimization literature. Additionally, our study focuses on practical versions of the two methods in which the resulting linear systems of equations are solved approximately, at every iteration, using an iterative solver. The advantages of using the conjugate gradient method vs. a stochastic gradient iteration are revealed through a set of numerical experiments, and a complexity analysis of the Hessian subsampling method is presented.

97 MATHEMATICS AND COMPUTING↗