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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

LA17-V-InverseRadTransportProblem-PD2Kb. Final Project Report

In the inverse radiation transport problem, a radiation signal emanating from an unknown object is used to reconstruct geometric and material parameters of the object , e.g., the mass of special nuclear material (SNM), the isotopic composition of the SNM (e.g., the enrichment of 235U), the thickness of shielding, etc. The inverse radiation transport problem is one of the most fundamental and important in the emergency response mission, and has been addressed in previous NA-22 and NA-42/84 investments by using derivative-free optimization methods. Our project was aimed at (i) consolidating previous work by applying polynomial chaos expansion (PCE) for reducing significantly the number of forward model simulations required by derivative-free optimization methods; (ii) developing a general-purpose framework and stand-alone software for solving the inverse radiation transport problem by applying a new “predictive modeling” methodology (predictive modeling of coupled multi-physics systems, PM_CMPS) which enables the fusing of experimental and computational information; and (iii) developing several benchmarks (for unscattered gamma rays) for demonstrating the quantification of non-Gaussian features (e.g., skewness and kurtosis, which characterize asymmetries and long tails) of response distributions by deterministically and efficiently propagating parameter uncertainties (covariances and higher-order moments, where available) using high-order sensitivities computed by the recently developed comprehensive adjoint sensitivity analysis methodology (C-ASAM). With regard to (i), application of PCE, the most significant accomplishment of this project was an implementation of PCE into INVERSE that significantly reduced computation time for the DiffeRential Evolution Adaptive Metropolis (DREAM) and Differential Evolution (DE) methods. For inverse transport problems with measurements of neutron leakage, neutron multiplication, and neutron-induced gamma-rays, the solution times for the DREAM and DE methods were reduced by factors of 30-300, reducing run times from hours to minutes while maintaining the same accuracy as the standard (non-PCE) DREAM and DE. Speedups were further improved by exploring sparse grid quadrature sets using the Toolkit for Adaptive Stochastic Modeling and Non-Intrusive ApproximatioN (Tasmanian) toolset. An initial exploration of sparse grids indicated that further speedups factors of 5-10 are obtainable. The implementation of PCE in INVERSE is not in a form that users can easily access. With regard to (ii), solving the inverse problem using a predictive modeling paradigm, the most significant accomplishment of this project were the derivation and implementation of adjoint-based second derivatives in neutron and photon transport theory. There are two codes that compute these derivatives. SENSPG computes them for uncollided gamma rays and SENSMG computes them for neutron leakage. SENSMG is open-source code available on github. Other significant accomplishments included a stand-alone code, MULTI-PRED, that implements the predictive modeling paradigm, along with a detailed manual. The code was implemented in the existing INVERSE code for inverse problems, but a head-to-head comparison of inverse methods was not achieved. We also derived and implemented the capability to compute sensitivities for multiplicity measurements into the SENSMG code, and this capability was used in a data assimilation application, but it was not used for solving inverse problems. With regard to (iii), developing benchmarks to demonstrate the importance of high-order sensitivity and uncertainty analysis, the most significant accomplishment of this project were two test problems that showed how important second-order sensitivities are.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1993

Sensitivity analysis of Lyapunov and Riccati equations with application to controls-structures integrated design

Controls-structure integrated design is a complicated multidisciplinary design optimization problem which involves the state equations pertaining to open-loop eigenvalues and control laws. In order to alleviate the intensity of the computation, this study uses the adjoint variable method to derive sensitivity equations for the eigenvalue, Liapunov, and Riccati equations. These individual sensitivity equations are then combined together to form the multidisciplinary sensitivity equations for the control structure integrated design problems. A set of linear sensitivity equations, proportional in number to the number of performance functions involved in the optimization process, are solved. This proposed approach may provide a great saving in computer resources. The validity of the newly developed sensitivity equations is verified by numerical examples.

Hou, Gene↗
NASA NTRS2016

Adjoint-Based Aerodynamic Design of Complex Aerospace Configurations

An overview of twenty years of adjoint-based aerodynamic design research at NASA Langley Research Center is presented. Adjoint-based algorithms provide a powerful tool for efficient sensitivity analysis of complex large-scale computational fluid dynamics (CFD) simulations. Unlike alternative approaches for which computational expense generally scales with the number of design parameters, adjoint techniques yield sensitivity derivatives of a simulation output with respect to all input parameters at the cost of a single additional simulation. With modern large-scale CFD applications often requiring millions of compute hours for a single analysis, the efficiency afforded by adjoint methods is critical in realizing a computationally tractable design optimization capability for such applications.

Nielsen, Eric J.↗
DOE OSTI2025

A direct-adjoint approach for material point model calibration with application to plasticity

Here, this paper proposes a new approach for the calibration of material parameters in local elastoplastic constitutive models. The calibration is posed as a constrained optimization problem, where the constitutive model evolution equations for a single material point serve as constraints. The objective function quantifies the mismatch between the stress predicted by the model and corresponding experimental measurements. To improve calibration efficiency, a novel direct-adjoint approach is presented to compute the Hessian of the objective function, which enables the use of second-order optimization algorithms. Automatic differentiation is used for gradient and Hessian computations. Two numerical examples are employed to validate the Hessian matrices and to demonstrate that the Newton–Raphson algorithm consistently outperforms gradient-based algorithms such as L-BFGS-B.

36 MATERIALS SCIENCE↗
DOE OSTI2023

AdjointBackMapV2: Precise reconstruction of arbitrary CNN unit’s activation via adjoint operators

Adjoint operators have been found to be effective in the exploration of CNN’s inner workings (Wan and Choe, 2022). However, the previous no-bias assumption restricted its generalization. We overcome the restriction via embedding input images into an extended normed space that includes bias in all CNN layers as part of the extended space and propose an adjoint-operator-based algorithm that maps high-level weights back to the extended input space for reconstructing an effective hypersurface. Such hypersurface can be computed for an arbitrary unit in the CNN, and here we prove that this reconstructed hypersurface, when multiplied by the original input (through an inner product), will precisely replicate the output value of each unit. We show experimental results based on the CIFAR-10 and CIFAR-100 data sets where the proposed approach achieves near 0 activation value reconstruction error.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Enhancing adaptive sparse grid approximations and improving refinement strategies using adjoint-based a posteriori error estimates

In this paper we present an algorithm for adaptive sparse grid approximations of quantities of interest computed from discretized partial differential equations. We use adjoint-based a posteriori error estimates of the physical discretization error and the interpolation error in the sparse grid to enhance the sparse grid approximation and to drive adaptivity of the sparse grid. Utilizing these error estimates provides significantly more accurate functional values for random samples of the sparse grid approximation. We also demonstrate that alternative refinement strategies based upon a posteriori error estimates can lead to further increases in accuracy in the approximation over traditional hierarchical surplus based strategies. Throughout this paper we also provide and test a framework for balancing the physical discretization error with the stochastic interpolation error of the enhanced sparse grid approximation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Second-Order Sensitivity Analysis of Uncollided Particle Contributions to Radiation Detector Responses

This work presents an application of Cacuci’s Second-Order Adjoint Sensitivity Analysis Methodology (2nd-ASAM) to the simplified Boltzmann equation that models the transport of uncollided particles through a medium to compute efficiently and exactly all of the first- and second-order derivatives (sensitivities) of a detector’s response with respect to the system’s isotopic number densities, microscopic cross sections, source emission rates, and detector response function. The off-the-shelf PARTISN multigroup discrete ordinates code is employed to solve the equations underlying the 2nd-ASAM. The accuracy of the results produced using PARTISN is verified by using the results of three test configurations: (1) a homogeneous sphere, for which the response is the exactly known total uncollided leakage, (2) a multiregion two-dimensional (r-z) cylinder, and (3) a two-region sphere for which the response is a reaction rate. For the homogeneous sphere, results for the total leakage as well as for the respective first- and second-order sensitivities are in excellent agreement with the exact benchmark values. For the nonanalytic problems, the results obtained by applying the 2nd-ASAM to compute sensitivities are in excellent agreement with central-difference estimates. The efficiency of the 2nd-ASAM is underscored by the fact that, for the cylinder, only 12 adjoint PARTISN computations were required by the 2nd-ASAM to compute all of the benchmark’s 18 first-order sensitivities and 224 second-order sensitivities, in contrast to the 877 PARTISN calculations needed to compute the respective sensitivities using central finite differences, and this number does not include the additional calculations that were required to find appropriate values of the perturbations to use for the central differences.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Depletion GPT-free sensitivity analysis for reactor eigenvalue problems

This manuscript introduces a novel approach to solving depletion perturbation theory problems without the need to set up or solve the generalized perturbation theory (GPT) equations. The approach, hereinafter denoted generalized perturbation theory free (GPT-Free), constructs a reduced order model (ROM) using methods based in perturbation theory and computes response sensitivity profiles in a manner that is independent of the number or type of responses, allowing for an efficient computation of sensitivities when many responses are required. Moreover, the reduction error from using the ROM is quantified in the GPT-Free approach by means of a Wilks' order statistics error metric denoted the K-metric. Traditional GPT has been recognized as the most computationally efficient approach for performing sensitivity analyses of models with many input parameters, e.g. when forward sensitivity analyses are computationally intractable. However, most neutronics codes that can solve the fundamental (homogenous) adjoint eigenvalue problem do not have GPT capabilities unless envisioned during code development. The GPT-Free approach addresses this limitation by requiring only the ability to compute the fundamental adjoint. This manuscript demonstrates the GPT-Free approach for depletion reactor calculations performed in SCALE6 using the 7x7 UAM assembly model. A ROM is developed for the assembly over a time horizon of 990 days. The approach both calculates the reduction error over the lifetime of the simulation using the K-metric and benchmarks the obtained sensitivities using sample calculations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2011

Adjoint Error Estimation for Linear Advection

An a posteriori error formula is described when a statistical measurement of the solution to a hyperbolic conservation law in 1D is estimated by finite volume approximations. This is accomplished using adjoint error estimation. In contrast to previously studied methods, the adjoint problem is divorced from the finite volume method used to approximate the forward solution variables. An exact error formula and computable error estimate are derived based on an abstractly defined approximation of the adjoint solution. This framework allows the error to be computed to an arbitrary accuracy given a sufficiently well resolved approximation of the adjoint solution. The accuracy of the computable error estimate provably satisfies an a priori error bound for sufficiently smooth solutions of the forward and adjoint problems. The theory does not currently account for discontinuities. Computational examples are provided that show support of the theory for smooth solutions. The application to problems with discontinuities is also investigated computationally.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Quantifying sensitivities of ice crystal number and sources of ice crystal number variability in CAM 5.1 using the adjoint of a physically based cirrus formation parameterization

Abstract We present the adjoint of a cirrus formation parameterization that computes the sensitivity of ice crystal number concentration to updraft velocity, aerosol, and ice deposition coefficient. The adjoint is driven by simulations from the National Center for Atmospheric Research Community Atmosphere Model version 5.1 CAM 5.1 to understand the sensitivity of formed ice crystal number concentration to 13 variables and quantify which contribute to its variability. Sensitivities of formed ice crystal number concentration to updraft velocity, sulfate number, and is sufficient but sulfate number concentration is low, indicating a sulfate‐limited regime. Outside of the tropics, competition between homogeneous and heterogeneous nucleation may shift annually averaged sensitivities to higher magnitudes, when infrequent strong updrafts shift crystal production away from purely heterogeneous nucleation. Outside the tropics, updraft velocity is responsible for approximately 52.70% of the ice crystal number variability. In the tropics, sulfate number concentration and updraft jointly control variability in formed crystal number concentration. Insoluble aerosol species play a secondary, but still important, role in influencing the variability in crystal concentrations, with coarse‐mode dust being the largest contributor at nearly 50% in certain regions. On a global scale, more than 95% of the temporal variability in crystal number concentration can be described by temperature, updraft velocity, sulfate number, and coarse‐mode dust number concentration.

Sheyko, B. A.↗
NASA NTRS1995

Improved Adjoint-Operator Learning For A Neural Network

Improved method of adjoint-operator learning reduces amount of computation and associated computational memory needed to make electronic neural network learn temporally varying pattern (e.g., to recognize moving object in image) in real time. Method extension of method described in "Adjoint-Operator Learning for a Neural Network" (NPO-18352).

Toomarian, Nikzad↗
DOE OSTI2023

Topology optimization of compliant mechanisms under transient thermal conditions

This work considers multi-material topology optimization of compliant mechanisms under transient thermal and quasi-static mechanical conditions wherein thermally actuated devices are optimized for different operating conditions. The materials are modeled using finite strain thermo-hyperelasticity and a two way coupling between the energy balance and equilibrium equations is investigated. The design updates are generated from the gradient-based method of moving asymptotes optimizer and the sensitivities are computed using the time dependent adjoint sensitivity analysis. Results show the impact of designing for short versus long actuation times.

42 ENGINEERING↗
DOE OSTI2024

Simultaneous shape and topology optimization of inflatable soft robots

Simultaneous shape and topology optimization is used to design pressure-activated inflatable soft robots. The pressure loaded boundary is meshed conformingly and shape optimized, while the morphology of the robot is topology optimized. The design objective is to exert maximum force on an object, i.e. to produce soft “grippers”. The robot’s motion is modeled using nearly incompressible finite deformation hyperelasticity. To ensure stability of the robot, the buckling load factors obtained via linearized buckling analyses are constrained. The finite element method is used to evaluate the optimization cost and constraint functions and the adjoint method is employed to compute their sensitivities. The numerical examples produce pressure-driven soft robots with varying complexity. We also compare our simultaneous optimization results to those obtained via sequential topology and then shape optimization.

42 ENGINEERING↗
DOE OSTI2013

Optical tomography reconstruction algorithm with the finite element method: An optimal approach with regularization tools

Highlights: •New strategies to improve the accuracy of the reconstruction through mesh and finite element parameterization. •Use of gradient filtering through an alternative inner product within the adjoint method. •An integral form of the cost function is used to make the reconstruction compatible with all finite element formulations, continuous and discontinuous. •Gradient-based algorithm with the adjoint method is used for the reconstruction. -- Abstract: Optical tomography is mathematically treated as a non-linear inverse problem where the optical properties of the probed medium are recovered through the minimization of the errors between the experimental measurements and their predictions with a numerical model at the locations of the detectors. According to the ill-posed behavior of the inverse problem, some regularization tools must be performed and the Tikhonov penalization type is the most commonly used in optical tomography applications. This paper introduces an optimized approach for optical tomography reconstruction with the finite element method. An integral form of the cost function is used to take into account the surfaces of the detectors and make the reconstruction compatible with all finite element formulations, continuous and discontinuous. Through a gradient-based algorithm where the adjoint method is used to compute the gradient of the cost function, an alternative inner product is employed for preconditioning the reconstruction algorithm. Moreover, appropriate re-parameterization of the optical properties is performed. These regularization strategies are compared with the classical Tikhonov penalization one. It is shown that both the re-parameterization and the use of the Sobolev cost function gradient are efficient for solving such an ill-posed inverse problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Tunable phononic bandgap materials designed via topology optimization

Topology optimization is used to design phononic bandgap materials that are tunable by mechanical deformation. A periodic media is considered, which due to the assumption of length scale separation, allows the dispersion relations to be obtained by analyzing a single unit cell subjected to Floquet–Bloch boundary conditions. A finite macroscopic deformation is applied to the unit cell to affect its geometry and hence dispersion. We tune the dispersion–deformation relation to our liking by solving a topology optimization problem using nonlinear programming. The adjoint method is employed to compute the sensitivities, and the non-differentiability of degenerate eigenvalues is avoided using symmetric polynomials. Several tunable phononic crystal designs are presented. Also, a verification analysis is performed, wherein the optimized design is interpreted and analyzed using a conforming finite element mesh.

42 ENGINEERING↗
DOE OSTI2015

SU-D-210-03: Limited-View Multi-Source Quantitative Photoacoustic Tomography

Purpose: This work is to investigate a novel limited-view multi-source acquisition scheme for the direct and simultaneous reconstruction of optical coefficients in quantitative photoacoustic tomography (QPAT), which has potentially improved signal-to-noise ratio and reduced data acquisition time. Methods: Conventional QPAT is often considered in two steps: first to reconstruct the initial acoustic pressure from the full-view ultrasonic data after each optical illumination, and then to quantitatively reconstruct optical coefficients (e.g., absorption and scattering coefficients) from the initial acoustic pressure, using multi-source or multi-wavelength scheme.Based on a novel limited-view multi-source scheme here, We have to consider the direct reconstruction of optical coefficients from the ultrasonic data, since the initial acoustic pressure can no longer be reconstructed as an intermediate variable due to the incomplete acoustic data in the proposed limited-view scheme. In this work, based on a coupled photo-acoustic forward model combining diffusion approximation and wave equation, we develop a limited-memory Quasi-Newton method (LBFGS) for image reconstruction that utilizes the adjoint forward problem for fast computation of gradients. Furthermore, the tensor framelet sparsity is utilized to improve the image reconstruction which is solved by Alternative Direction Method of Multipliers (ADMM). Results: The simulation was performed on a modified Shepp-Logan phantom to validate the feasibility of the proposed limited-view scheme and its corresponding image reconstruction algorithms. Conclusion: A limited-view multi-source QPAT scheme is proposed, i.e., the partial-view acoustic data acquisition accompanying each optical illumination, and then the simultaneous rotations of both optical sources and ultrasonic detectors for next optical illumination. Moreover, LBFGS and ADMM algorithms are developed for the direct reconstruction of optical coefficients from the acoustic data. Jing Feng and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang Talent Program (#14PJ1404500)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Source identification in acoustics and structural mechanics using Sierra/SD.

In this report we derive both time and frequency-domain methods for inverse identification of sources in elastodynamics and acoustics. The inverse/design problem is cast in a PDE-constrained optimization framework with efficient computation of gradients using the adjoint method. The implementation of source inversion in Sierra/SD is described, and results from both time and frequency domain source inversion are compared to actual experimental data for a weapon store used in captive carry on a military aircraft. The inverse methodology is advantageous in that it provides a method for creating ground based acoustic and vibration tests that can reduce the actual number of flight tests, and thus, saving costs and time for the program.

Walsh, Timothy Francis↗
NASA NTRS2007

Simulation of a Periodic Jet in a Crossflow with a RANS Solver Using an Unstructured Grid

A second-order unstructured-grid code, developed and used primarily for steady aerodynamic simulations, is applied to the synthetic jet in a cross flow. The code, FUN3D, is a vertex-centered finite-volume method originally developed by Anderson[1, 2], and is currently supported by members of the Fast Adaptive Aerospace Tools team at NASA Langley. Used primarily for design[3] and analysis[4] of steady aerodynamic configurations, FUN3D incorporates a discrete adjoint capability, and supports parallel computations using MPI. A detailed description of the FUN3D code can be found in the references given above. The code is under continuous development and contains a variety of flux splitting algorithms for the inviscid terms, two methods for computing gradients, several turbulence models, and several solution methodologies; all in varying states of development. Only the most robust and reliable components, based on experiences with steady aerodynamic simulations, were employed in this work. As applied in this work, FUN3D solves the Reynolds averaged Navier-Stokes equations using the one equation turbulence model of Spalart and Allmaras[5]. The spatial discretization is formed on unstructured meshes using a vertex-centered approach. The inviscid terms are evaluated by a flux-difference splitting formulation using least-squares reconstruction and Roe-type approximate Riemann fluxes. Green-Gauss gradient evaluations are used for viscous and turbulence modeling terms. The discrete spatial operator is combined with a backward time operator which is then solved iteratively using point or line Gauss-Seidel and local time stepping in a pseudo time. For steady flows, the physical time step is set to infinity and the pseudo time step is ramped up with the iteration count. A second-order backward in time operator is used for time accurate flows with 20 to 50 steps in the pseudo time applied at each physical time step. For this effort, FUN3D was modified to support spatially varying boundary and initial conditions, and unsteady boundary conditions. Also, a specialized in/out flow boundary condition was implemented to model the action of the diaphragm. This boundary condition is described below in more detail. The grids were generated using the internally developed codes GridEX[6] for meshing the surfaces and inviscid regions of the domain, and for CAD access; and MesherX[7] for meshing the viscous regions. Grid spacing in on the surfaces and in the inviscid regions are indirectly controlled by specifying sources. The viscous layers are generated using an advancing layer technique. MeshersX allows the user to control the spatial variation of the first step off the surface, growth rates, and the termination criterion by providing small problem dependent subroutines.

Atkins, H. L.↗