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Results for “nonlinear global optimization”

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.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Neural Networks to Find the Optimal Forcing for Offsetting the Anthropogenic Climate Change Effects

Abstract Of great relevance to climate engineering is the systematic relationship between the radiative forcing to the climate system and the response of the system, a relationship often represented by the linear response function (LRF) of the system. However, estimating the LRF often becomes an ill-posed inverse problem due to high-dimensionality and nonunique relationships between the forcing and response. Recent advances in machine learning make it possible to address the ill-posed inverse problem through regularization and sparse system fitting. Here, we develop a convolutional neural network (CNN) for regularized inversion. The CNN is trained using the surface temperature responses from a set of Green’s function perturbation experiments as imagery input data together with data sample densification. The resulting CNN model can infer the forcing pattern responsible for the temperature response from out-of-sample forcing scenarios. This promising proof of concept suggests a possible strategy for estimating the optimal forcing to negate certain undesirable effects of climate change. The limited success of this effort underscores the challenges of solving an inverse problem for a climate system with inherent nonlinearity. Significance Statement Predicting the climate response for a given climate forcing is a direct problem, while inferring the forcing for a given desired climate response is often an inverse, ill-posed, problem, posing a new challenge to the climate community. This study makes the first attempt to infer the radiative forcing for a given target pattern of global surface temperature response using a deep learning approach. The resulting deeply trained convolutional neural network inversion model shows promise in capturing the forcing pattern corresponding to a given surface temperature response, with a significant implication on the design of an optimal solar radiation management strategy for curbing global warming. This study also highlights the technical challenges that future research should prioritize in seeking feasible solutions to the inverse climate problem.

Ren, Huiying↗
DOE OSTI2025

A unified funnel restoration SQP algorithm

We consider nonlinearly constrained optimization problems and discuss a generic double-loop framework consisting of basic algorithmic ingredients that unifies a broad range of nonlinear optimization solvers. This framework has been implemented in the open-source solver Uno, a Swiss Army knife-like C++ optimization framework that unifies many nonlinearly constrained nonconvex optimization solvers. We illustrate the framework with a sequential quadratic programming (SQP) algorithm that maintains an acceptable upper bound on the constraint violation, called a funnel, that is monotonically decreased to control the feasibility of the iterates. Infeasible quadratic subproblems are handled by a feasibility restoration strategy. Globalization is controlled by a line search or a trust-region method. We prove global convergence of the trust-region funnel SQP method, building on known results from filter methods. We implement the algorithm in Uno, and we provide extensive test results for the trust-region line-search funnel SQP on small CUTEst instances.

Kiessling, David [Katholieke Univ. Leuven, Heverle↗
DOE OSTI2022

Automated identification of dominant physical processes

The identification of processes that locally and approximately dominate dynamical system behavior has enabled significant advances in understanding and modeling nonlinear differential dynamical systems. Conventional methods of dominant process identification involve piecemeal and ad hoc (non-rigorous, informal) scaling analyses to identify dominant balances of governing equation terms and to delineate the spatiotemporal boundaries (boundaries in space and/or time) of each dominant balance. For the first time, we present an objective global measure of the fit of dominant balances to observations, which is desirable for automation, and was previously undefined. Furthermore, we propose a formal definition of the dominant balance identification problem in the form of an optimization problem. Here, we show that the optimization can be performed by various machine learning algorithms, enabling the automatic identification of dominant balances. Our method is algorithm agnostic and it eliminates reliance upon expert knowledge to identify dominant balances which are not known beforehand.

42 ENGINEERING↗
DOE OSTI2022

Generalized optimization-based synthesis of membrane systems for multicomponent gas mixture separation

Synthesizing a membrane system to separate multicomponent gas mixture is challenging due to the combinatorial number of feasible configurations and the difficulties in describing the multicomponent permeators. Here we present a mixed-integer nonlinear programming (MINLP) model for synthesizing membrane systems for multicomponent gas mixture separation. The approach employs a richly connected superstructure to represent numerous potential system configurations, and different physics-based surrogate permeator models, such as countercurrent flow or crossflow, to be used in each stage. Moreover, to describe realistic systems, pressure drop equations can be included. We also present solution methods to accelerate the solution process. Through a case study of natural gas sweetening, we demonstrate that the proposed approach is able to obtain good solutions using an off-the-shelf global optimization solver. Finally, we expand the conventional membrane system synthesis problem by introducing feed variability in our model through a case study of an integrated reactor-separation system.

42 ENGINEERING↗
NASA NTRS1994

Algorithms for bilevel optimization

General multilevel nonlinear optimization problems arise in design of complex systems and can be used as a means of regularization for multi-criteria optimization problems. Here, for clarity in displaying our ideas, we restrict ourselves to general bi-level optimization problems, and we present two solution approaches. Both approaches use a trust-region globalization strategy, and they can be easily extended to handle the general multilevel problem. We make no convexity assumptions, but we do assume that the problem has a nondegenerate feasible set. We consider necessary optimality conditions for the bi-level problem formulations and discuss results that can be extended to obtain multilevel optimization formulations with constraints at each level.

Alexandrov, Natalia↗
DOE OSTI2023

A Fast Temporal Decomposition Procedure for Long-Horizon Nonlinear Dynamic Programming

We propose a fast temporal decomposition procedure for solving long-horizon nonlinear dynamic programs. The core of the procedure is sequential quadratic programming (SQP) that utilizes a differentiable exact augmented Lagrangian as the merit function. Within each SQP iteration, we approximately solve the Newton system using an overlapping temporal decomposition strategy. We show that the approximate search direction is still a descent direction of the augmented Lagrangian provided the overlap size and penalty parameters are suitably chosen, which allows us to establish the global convergence. Moreover, we show that a unit step size is accepted locally for the approximate search direction and further establish a uniform, local linear convergence over stages. This local convergence rate matches the rate of the recent Schwarz scheme (Na et al. 2022). However, the Schwarz scheme has to solve nonlinear subproblems to optimality in each iteration, whereas we only perform a single Newton step instead. Numerical experiments validate our theories and demonstrate the superiority of our method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

An Incremental Gradient Method for Optimization Problems With Variational Inequality Constraints

We consider minimizing a sum of agent-specific nondifferentiable merely convex functions over the solution set of a variational inequality (VI) problem in that each agent is associated with a local monotone mapping. This problem finds an application in computation of the best equilibrium in nonlinear complementarity problems arising in transportation networks. We develop an iteratively regularized incremental gradient method where at each iteration, agents communicate over a directed cycle graph to update their solution iterates using their local information about the objective and the mapping. The proposed method is single-timescale in the sense that it does not involve any excessive hard-to-project computation per iteration. We derive nonasymptotic agent-wise convergence rates for the suboptimality of the global objective function and infeasibility of the VI constraints measured by a suitably defined dual gap function. Finally, the proposed method appears to be the first fully iterative scheme equipped with iteration complexity that can address distributed optimization problems with VI constraints over cycle graphs.

convergence↗
DOE OSTI2025

Global optimization of harmonic oscillator basis in covariant density functional theory

The present investigation focuses on the improvement of the accuracy of the description of binding energies within moderately sized fermionic basis. Using the solutions corresponding to infinite fermionic basis it was shown that in the case of meson exchange (ME) covariant energy density functionals (CEDFs) the global accuracy of the description of binding energies in the finite $N_F$ = 16 - 20 bases can be drastically (by a factor ranging from ~3 up to ~9 dependent on the functional and $N_F$) improved by a global optimization of oscillator frequency of the basis. This is a consequence of the unique feature of the ME functionals in which with increasing fermionic basis size fermionic and mesonic energies approach the exact (infinite basis) solution from above and below, respectively. As a consequence, an optimal oscillator frequency $\hbar\omega_0$ of the basis can be defined which provides an accurate reproduction of exact total binding energies by the ones calculated in truncated basis. This leads to a very high accuracy of the calculations in moderately sized $N_F=20$ basis when mass dependent oscillator frequency is used: global rms differences $\delta B_{rms}$ between the binding energies calculated in infinite and truncated bases are only 0.025 MeV and 0.031 MeV for the NL5(Z) and DD-MEZ functionals, respectively. Optimized values of the oscillator frequency $\hbar\omega_0$ are provided for three major classes of CEDFs, i.e. for density dependent meson exchange functionals, nonlinear meson exchange ones and point coupling functionals.

Binding energy & masses↗
NASA NTRS1989

Bilinear modeling and nonlinear estimation

New methods are illustrated for online nonlinear estimation applied to the lateral deflection of an elastic beam on board measurements of angular rates and angular accelerations. The development of the filter equations, together with practical issues of their numerical solution as developed from global linearization by nonlinear output injection are contrasted with the usual method of the extended Kalman filter (EKF). It is shown how nonlinear estimation due to gyroscopic coupling can be implemented as an adaptive covariance filter using off-the-shelf Kalman filter algorithms. The effect of the global linearization by nonlinear output injection is to introduce a change of coordinates in which only the process noise covariance is to be updated in online implementation. This is in contrast to the computational approach which arises in EKF methods arising by local linearization with respect to the current conditional mean. Processing refinements for nonlinear estimation based on optimal, nonlinear interpolation between observations are also highlighted. In these methods the extrapolation of the process dynamics between measurement updates is obtained by replacing a transition matrix with an operator spline that is optimized off-line from responses to selected test inputs.

Dwyer, Thomas A. W., III↗
DOE OSTI2020

Piecewise polyhedral formulations for a multilinear term

Herein, we present a mixed-integer linear programming (MILP) formulation of a piecewise, polyhedral relaxation (PPR) of a multilinear term using its convex-hull representation. Based on the PPR’s solution, we also present a MILP formulation whose solutions are feasible for nonconvex, multilinear equations. We then present computational results showing the effectiveness of proposed formulations on standard benchmark nonlinear programs (NLPs) with multilinear terms and compare with a traditional formulation that is built using recursive bilinear groupings of multilinear terms.

42 ENGINEERING↗
DOE OSTI2022

A proximal trust-region method for nonsmooth optimization with inexact function and gradient evaluations

Many applications require minimizing the sum of smooth and nonsmooth functions. For example, basis pursuit denoising problems in data science require minimizing a measure of data misfit plus an $\ell^1$-regularizer. Similar problems arise in the optimal control of partial differential equations (PDEs) when sparsity of the control is desired. Here, we develop a novel trust-region method to minimize the sum of a smooth nonconvex function and a nonsmooth convex function. Our method is unique in that it permits and systematically controls the use of inexact objective function and derivative evaluations. When using a quadratic Taylor model for the trust-region subproblem, our algorithm is an inexact, matrix-free proximal Newton-type method that permits indefinite Hessians. We prove global convergence of our method in Hilbert space and demonstrate its efficacy on three examples from data science and PDE-constrained optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Investigating the Linear Dependence of Direct and Indirect Radiative Forcing on Emission of Carbonaceous Aerosols in a Global Climate Model

Herein, the relationship between forcing and emission is investigated for black carbon (BC) and primary organic carbon (OC) emitted from North America and Asia. Direct and indirect radiative forcing (DRF and IRF) of BC and OC are simulated with CAM5.1. Two diagnostics are introduced to aid policy-relevant discussions: linearity and emission-normalized forcing. DRF is linearly related to emission for both BC and OC from two regions, and the linear relationship is similar, within 15%. IRF is linear in emissions when emissions are lower and regions are far from sources (North American BC and OC). Indirect radiative forcing is sublinear for strong sources and near-source regions (Asian OC). Emission-normalized IRF in North America is two to four times higher than that in Asia. The difference among regions and species is primarily caused by particle density as high density of BC results in fewer emitted particles and by the processes for accumulation mode particles to become cloud condensation nuclei and then to activate into cloud droplet. Lower emission-normalized IRF in more polluted regions means that reductions of OC in these regions would be relatively climate-neutral rather than causing significant warming via IRF reduction. An optimal aggregation area (30° × 30°) is identified for analysis of the forcing-to-emission relationship. For IRF, only 15–40% of the Earth’s surface is significantly affected by an emission region, but forcing in these regions comprises most of the global impact. Emission-normalized forcing can be used to estimate forcing changes due to emission reductions, as long as causes of nonlinearity are identified and considered.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2022

Multiscale Progressive Failure Analysis of 3D Woven Composites

Application of three-dimensional (3D) woven composites is growing as an alternative to the use of ply-based composite materials. However, the design, analysis, modeling, and optimization of these materials is more challenging due to their complex and inherently multiscale geometries. Herein, a multiscale modeling procedure, based on efficient, semi-analytical micromechanical theories rather than the traditional finite element approach, is presented and applied to a 3D woven carbon–epoxy composite. A crack-band progressive damage model was employed for the matrix constituent to capture the globally observed nonlinear response. Realistic microstructural dimensions and tow-fiber volume fractions were determined from detailed X-ray computed tomography (CT) and scanning electron microscopy data. Pre-existing binder-tow disbonds and weft-tow waviness, observed in X-ray CT scans of the composite, were also included in the model. The results were compared with experimental data for the in-plane tensile and shear behavior of the composite. The tensile predictions exhibited good correlations with the test data. While the model was able to capture the less brittle nature of the in-plane shear response, quantitative measures were underpredicted to some degree.

3D woven composites↗
DOE OSTI2019

A mathematical programming approach for the optimal placement of flame detectors in petrochemical facilities

Flame detectors provide an important layer of protection for personnel in petrochemical plants, but effective placement can be challenging. A mixed-integer nonlinear programming formulation is proposed for optimal placement of flame detectors while considering non-uniform probabilities of detection failure. We show that this approach allows for the placement of fire detectors using a fixed sensor budget and outperforms models that do not account for imperfect detection. In this study, we develop a linear relaxation to the formulation and an efficient solution algorithm that achieves global optimality with reasonable computational effort. We integrate this problem formulation into the Python package, Chama, and demonstrate the effectiveness of this formulation on a small test case and on two real-world case studies using the fire and gas mapping software, Kenexis Effigy.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

High Efficiency 6-Junction Solar Cells for the Global and Direct Spectra

We show 6-junction inverted metamorphic solar cells with high efficiencies under both the global and direct spectrum, and discuss improvements to device components. High voltage AlGaInP subcells are demonstrated on GaAs substrates miscut 2° towards (111)B by using Sb surfactant to reduce atomic ordering. This miscut enables high voltage and low dislocation density GaInAs subcells by using atomically-ordered GaInP-based graded buffers. One-sun efficiencies of 39.2 ± 1.3% under the global spectrum and 39.4 ± 1.1% direct spectrum have been demonstrated by using these high voltage subcell components. For high efficiency under the concentrated direct spectrum, low resistance is also necessary, which requires a challenging and nonintuitive optimization of tunnel junctions and heterobarriers. Increasing the thickness of a (Al)GaInAs spacer layer between the back surface fields (BSF) and tunnel junctions (TJ) of latticemismatched subcells reduces nonlinear resistance, which implies a detrimental interaction between the BSF and TJ. Concentrator devices with optimized spacer layers show reduced effective resistance and maintain fill factor > 75% at 1100 suns. Device efficiencies under the concentrated direct spectrum peak at 47.1 ± 3.2% at 143 suns.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2025

Uncertainty propagation and sensitivity analysis for constrained optimization of nuclear waste vitrification

Abstract The vitrification of high‐level waste (HLW) by heating a mixture of glass‐forming chemicals (GFCs) with the waste can be improved using a constrained optimization problem. This study explores how different uncertainty propagation (UP) methods implemented with the optimization process can affect the glass formulation of nuclear waste glasses. UP is the effort of propagating uncertain inputs through a system to understand and quantify output distributions. Uncertainty intervals are crafted from output distributions to inform the optimization algorithm. UP is often implemented with Monte Carlo (MC) sampling for large nonlinear systems, which can be difficult to implement within a constrained optimization algorithm that requires derivative information. Other UP methods often used for optimization under uncertainty (OUU) can be designed to work within an established constrained optimization framework. Methods of UP are evaluated in this study including iterative sampling approaches, first‐order approximations, and surrogate modeling with machine learning (ML). A method of dimensional reduction based on global sensitivity analysis is introduced to support the UP methods for the large dimensionality of the problem. Analytical UP methods able to achieve similar optimums 10 times faster than the baseline MC approach, and produce 93.9% similar output distributions are reported.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Optimal Power Flow of Radial Networks and Its Variations: A Sequential Convex Optimization Approach

This paper proposes a sequential convex optimization method to solve broader classes of optimal power flow (OPF) problems over radial networks. The non-convex branch power flow equation is decomposed as a second-order cone inequality and a non-convex constraint involving the difference of two convex functions. Provided with an initial solution offered by an inexact second-order cone programming relaxation model, this approach solves a sequence of convexified penalization problems, where concave terms are approximated by linear functions and updated in each iteration. It could recover a feasible power flow solution, which usually appears to be very close, if not equal, to the global optimal one. Two variations of the OPF problem, in which non-cost related objectives are optimized subject to power flow constraints and the convex relaxation is generally inexact, are elaborated in detail. One is the maximum loadability problem, which is formulated as a special OPF problem that seeks the maximal distance to the boundary of power flow insolvability. The proposed method is shown to outperform commercial nonlinear solvers in terms of robustness and efficiency. The other is the bi-objective OPF problem. A non-parametric scalarization model is suggested, and is further reformulated as an extended OPF problem by convexifying the objective function. It provides a single trade-off solution without any subjective preference. The proposed computation framework also helps retrieve the Pareto front of the bi-objective OPF via the e-constraint method or the normal boundary intersection method. This paper also discusses extensions for OPF problems over meshed networks based on the semidefinite programming relaxation method.

bi-objective optimization↗
NASA NTRS2014

A Generic Nonlinear Aerodynamic Model for Aircraft

A generic model of the aerodynamic coefficients was developed using wind tunnel databases for eight different aircraft and multivariate orthogonal functions. For each database and each coefficient, models were determined using polynomials expanded about the state and control variables, and an othgonalization procedure. A predicted squared-error criterion was used to automatically select the model terms. Modeling terms picked in at least half of the analyses, which totalled 45 terms, were retained to form the generic nonlinear aerodynamic (GNA) model. Least squares was then used to estimate the model parameters and associated uncertainty that best fit the GNA model to each database. Nonlinear flight simulations were used to demonstrate that the GNA model produces accurate trim solutions, local behavior (modal frequencies and damping ratios), and global dynamic behavior (91% accurate state histories and 80% accurate aerodynamic coefficient histories) under large-amplitude excitation. This compact aerodynamics model can be used to decrease on-board memory storage requirements, quickly change conceptual aircraft models, provide smooth analytical functions for control and optimization applications, and facilitate real-time parametric system identification.

Grauer, Jared A.↗