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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 271 records · Page 15

Distributed Quantum-Enhanced Optimization: A Topographical Preconditioning Approach for High-Dimensional Search

Optimization problems become fundamentally challenging as the number of variables increases. Because the volume of the search space grows exponentially, classical algorithms frequently fail to locate the global minimum of non-convex functions. While quantum optimization offers a potential alternative, mapping continuous problems onto near-term quantum hardware introduces severe scaling limits and barren plateaus. To bridge this gap, we propose the Distributed Quantum-Enhanced Optimization (D-QEO) framework. Instead of forcing the quantum processor to find the exact minimum, we use it simply as a topographical preconditioner. The QPU maps the landscape to locate the most promising basin of attraction, generating high-quality seed points for a classical GPU-accelerated solver to refine. To make this approach viable for utility-scale problems, we exploit the mathematical structure of separable functions. This allows us to cut a 50-qubit (i.e., $2^{50}$) global search space into independent and manageable sub-spaces using 5-qubit subcircuits. By executing these fragments concurrently with CUDA-Q, we completely bypass the overhead of cross-register entanglement and classical tensor knitting for separable functions. Benchmarks on the 10-dimensional Rastrigin and Ackley functions show that D-QEO prevents the exponential failure rates observed in purely classical algorithms. Furthermore, this quantum warm-start significantly reduces the number of classical BFGS iterations required to converge, providing a highly practical blueprint for utilizing near-term quantum resources in complex global search.

Soos, Dominik [Old Dominion U.]↗

Powered Descent Guidance with General Thrust-Pointing Constraints

The Powered Descent Guidance (PDG) algorithm and software for generating Mars pinpoint or precision landing guidance profiles has been enhanced to incorporate thrust-pointing constraints. Pointing constraints would typically be needed for onboard sensor and navigation systems that have specific field-of-view requirements to generate valid ground proximity and terrain-relative state measurements. The original PDG algorithm was designed to enforce both control and state constraints, including maximum and minimum thrust bounds, avoidance of the ground or descent within a glide slope cone, and maximum speed limits. The thrust-bound and thrust-pointing constraints within PDG are non-convex, which in general requires nonlinear optimization methods to generate solutions. The short duration of Mars powered descent requires guaranteed PDG convergence to a solution within a finite time; however, nonlinear optimization methods have no guarantees of convergence to the global optimal or convergence within finite computation time. A lossless convexification developed for the original PDG algorithm relaxed the non-convex thrust bound constraints. This relaxation was theoretically proven to provide valid and optimal solutions for the original, non-convex problem within a convex framework. As with the thrust bound constraint, a relaxation of the thrust-pointing constraint also provides a lossless convexification that ensures the enhanced relaxed PDG algorithm remains convex and retains validity for the original nonconvex problem. The enhanced PDG algorithm provides guidance profiles for pinpoint and precision landing that minimize fuel usage, minimize landing error to the target, and ensure satisfaction of all position and control constraints, including thrust bounds and now thrust-pointing constraints.

Carson, John M., III↗

Convex relaxations for gas expansion planning

Expansion of natural gas networks is a critical process involving substantial capital expenditures with complex decision-support requirements. Here, given the non-convex nature of gas transmission constraints, global optimality and infeasibility guarantees can only be offered by global optimisation approaches. Unfortunately, state-of-the-art global optimisation solvers are unable to scale up to real-world size instances. In this study, we present a convex mixed-integer second-order cone relaxation for the gas expansion planning problem under steady-state conditions. The underlying model offers tight lower bounds with high computational efficiency. In addition, the optimal solution of the relaxation can often be used to derive high-quality solutions to the original problem, leading to provably tight optimality gaps and, in some cases, global optimal solutions. The convex relaxation is based on a few key ideas, including the introduction of flux direction variables, exact McCormick relaxations, on/off constraints, and integer cuts. Numerical experiments are conducted on the traditional Belgian gas network, as well as other real larger networks. The results demonstrate both the accuracy and computational speed of the relaxation and its ability to produce high-quality solution

03 NATURAL GAS↗

Automated Resonance Fitting for Nuclear Data Evaluation

Global and national efforts to deliver high-quality nuclear data to users have a wide-ranging impact, affecting applications in national security, reactor operations, basic science, medicine, and more. Cross section evaluation is a major part of this effort, combining theory and experimentation to produce recommended values and uncertainties for reaction probabilities. Resonance region evaluation is a specialized type of nuclear data evaluation that can require significant manual effort and months of time from expert scientists. In this article, non-convex non-linear optimization methods are combined with concepts of inferential statistics to infer a resonance model from experimental data in an automated manner that is not dependent on prior evaluation(s). This methodology aims to enhance the workflow of a resonance evaluator by minimizing time, effort, and the potential for bias from prior assumptions, while enhancing reproducibility and documentation, thereby addressing well-known challenges in the field.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Dynamic ADMM for Real-Time Optimal Power Flow

This paper considers distribution networks featuring distributed energy resources (DERs), and develops a dynamic optimization method to maximize given operational objectives in real time while adhering to relevant network constraints. The design of the dynamic algorithm is based on suitable linearization of the AC power flow equations, and it leverages the so-called alternating direction method of multipliers (ADMM). The steps of the ADMM, however, are suitably modified to accommodate appropriate measurements from the distribution network and the DERs. With the aid of these measurements, the resultant algorithm can enforce given operational constraints in spite of inaccuracies in the representation of the AC power flows, and it avoids ubiquitous metering to gather the state of noncontrollable resources. Optimality and convergence of the proposed algorithm are established in terms of tracking of the solution of a convex surrogate of the AC optimal power flow problem.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Dynamic ADMM for Real-Time Optimal Power Flow: Preprint

This paper considers distribution networks featuring distributed energy resources (DERs), and develops a dynamic optimization method to maximize given operational objectives in real time while adhering to relevant network constraints. The design of the dynamic algorithm is based on suitable linearizations of the AC power flow equations, and it leverages the so-called alternating direction method of multipliers (ADMM). The steps of the ADMM, however, are suitably modified to accommodate appropriate measurements from the distribution network and the DERs. With the aid of these measurements, the resultant algorithm can enforce given operational constraints in spite of inaccuracies in the representation of the AC power flows, and it avoids ubiquitous metering to gather the state of non-controllable resources. Optimality and convergence of the propose algorithm are established in terms of tracking of the solution of a convex surrogate of the AC optimal power flow problem.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Meshes optimized for discrete exterior calculus (DEC).

We study the optimization of an energy function used by the meshing community to measure and improve mesh quality. This energy is non-traditional because it is dependent on both the primal triangulation and its dual Voronoi (power) diagram. The energy is a measure of the mesh's quality for usage in Discrete Exterior Calculus (DEC), a method for numerically solving PDEs. In DEC, the PDE domain is triangulated and this mesh is used to obtain discrete approximations of the continuous operators in the PDE. The energy of a mesh gives an upper bound on the error of the discrete diagonal approximation of the Hodge star operator. In practice, one begins with an initial mesh and then makes adjustments to produce a mesh of lower energy. However, we have discovered several shortcomings in directly optimizing this energy, e.g. its non-convexity, and we show that the search for an optimized mesh may lead to mesh inversion (malformed triangles). We propose a new energy function to address some of these issues.

97 MATHEMATICS AND COMPUTING↗

Stochastic multi-period optimal dispatch of energy storage in unbalanced distribution feeders

This report presents a convex, multi-period, AC-feasible Optimal Power Flow (OPF) framework that robustly dispatches flexible demand-side resources in unbalanced distribution feeders against uncertainty in very-short timescale solar Photo-Voltaic (PV) forecasts. This is valuable for power systems with significant behind-the-meter solar PV generation as their operation is affected by uncertainty from forecasts of demand and solar PV generation. The aim of this work is then to ensure the feasibility and reliability of distribution system operation under high solar PV penetration. We develop and present a novel, robust OPF formulation that accounts for both the nonlinear power flow constraints and the uncertainty in forecasts. This is achieved by linearizing an optimal trajectory and using first-order methods to systematically tighten voltage bounds. Case studies on a realistic distribution feeder shows the effectiveness of a receding-horizon implementation.

25 ENERGY STORAGE↗

Template-based CTA to x-ray angio rigid registration of coronary arteries in frequency domain with automatic x-ray segmentation

Purpose: A key challenge for image guided coronary interventions is accurate and absolutely robust image registration bringing together preinterventional information extracted from a three-dimensional (3D) patient scan and live interventional image information. In this paper, the authors present a novel scheme for 3D to two-dimensional (2D) rigid registration of coronary arteries extracted from preoperative image scan (3D) and a single segmented intraoperative x-ray angio frame in frequency and spatial domains for real-time angiography interventions by C-arm fluoroscopy.Methods: Most existing rigid registration approaches require a close initialization due to the abundance of local minima and high complexity of search algorithms. The authors' method eliminates this requirement by transforming the projections into translation-invariant Fourier domain for estimating the 3D pose. For 3D rotation recovery, template Digitally Reconstructed Radiographs (DRR) as candidate poses of 3D vessels of segmented computed tomography angiography are produced by rotating the camera (image intensifier) around the DICOM angle values with a specific range as in C-arm setup. The authors have compared the 3D poses of template DRRs with the segmented x-ray after equalizing the scales in three domains, namely, Fourier magnitude, Fourier phase, and Fourier polar. The best rotation pose candidate was chosen by one of the highest similarity measures returned by the methods in these domains. It has been noted in literature that frequency domain methods are robust against noise and occlusion which was also validated by the authors' results. 3D translation of the volume was then recovered by distance-map based BFGS optimization well suited to convex structure of the authors' objective function without local minima due to distance maps. A novel automatic x-ray vessel segmentation was also performed in this study.Results: Final results were evaluated in 2D projection space for patient data; and with ground truth values and landmark distances for the images acquired with a solid phantom vessel. Results validate that rotation recovery in frequency domain is robust against differences in segmentations in two modalities. Distance-map translation is successful in aligning coronary trees with highest possible overlap.Conclusions: Numerical and qualitative results show that single view rigid alignment in projection space is successful. This work can be extended with multiple views to resolve depth ambiguity and with deformable registration to account for nonrigid motion in patient data.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Intrusive Uncertainty Quantification and Optimal Experiment Design in the Open-Source Pyomo Ecosystem

This contribution describes ParmEst and Pyomo.DoE, two pillars of the open-source Python-based Pyomo ecosystem for computational optimization with (partial differential) algebraic equation mathematical models. Specifically, ParmEst facilitates intrusive frequentist parameter estimation (PE) and uncertainty quantification (UQ) through built-in features, such as covariance matrix estimation, bootstrapping, and likelihood ratio tests. Complementary, Pyomo.DoE enables optimal experiment design by maximizing various metrics of the Fisher information matrix, such as A-optimality (trace), D-optimality (determinant), E-optimality (minimum eigenvalue), and ME-optimality (condition number). ParmEst and Pyomo.DoE can solve high-dimensional optimization problems by leveraging the model structure and exact derivative information. Finally, we will discuss future opportunities to integrate PE and UQ capabilities with optimization under uncertainty, including robust optimization with non-convex models via PyROS.

97 MATHEMATICS AND COMPUTING↗

Optical Design of a Compact Imaging Spectrometer for Planetary Mineralogy

We present the design of a compact, wide-angle pushbroom imaging spectrometer suitable for exploration of solar system bodies from low orbit. The spectrometer is based on a single detector array with a broadband response that covers the range 400 to 3000 nm and provides a spectral sampling of 10 nm. The telescope has a 24-deg field of view with 600 spatially resolved elements (detector pixels). A specially designed convex diffraction grating permits optimization of the signal-to-noise ratio through the entire spectral band. Tolerances and design parameters permit the achievement of high uniformity of response through field and wavelength. The spectrometer performance is evaluated in terms of predicted spectral and spatial response functions and from the point of view of minimizing their variation through field and wavelength. The design serves as an example for illustrating the design principles specific to this type of system.

space optics↗

Optimal Distributed Control of Spatially Invariant Time Varying Linear Systems

In this paper, the optimal distributed linear time varying H2 control problem for cone causal spatially invariant linear time varying (SILTV) systems is considered. This class of systems was initially defined in the work of Voulgaris et al. for cone causal spatially invariant (SI) linear time invariant (LTI) systems. First, the optimal time varying H2 problem is posed using a version of the Youla parameterization. This allows to transform the problem into an affine form which results in a convex but infinite dimensional distributed optimization. Next, the problem is solved by computing an operator projection on a class of time varying Youla parameters with a cone causal distributed structure. The cone causal spatially invariant systems are viewed as input-output multiplicative operators with a mixed causal time varying structure with respect to time, and spatially invariant with respect to the space dimension.

Djouadi, Seddik M.↗

Market mechanism to enable grid-aware dispatch of Aggregators in radial distribution networks

This paper presents a market-based optimization framework wherein Aggregators can compete for nodal capacity across a distribution feeder and guarantee that allocated flexible capacity cannot cause overloads or congestion. This mechanism, thus, allows Aggregators with allocated capacity to pursue a number of services at the whole-sale market level to maximize revenue of flexible resources. Based on Aggregator bids of capacity (MW) and network access price ($/MW), the distribution system operator (DSO) formulates an optimization problem that prioritizes capacity to the different Aggregators across the network while implicitly considering AC network constraints. This grid-aware allocation is obtained by incorporating a convex inner approximation into the optimization framework that prioritizes hosting capacity to different Aggregators. We adapt concepts from transmission-level capacity market clearing, utility demand charges, and Internet-like bandwidth allocation rules to distribution system operations by incorporating nodal voltage and transformer constraints into the optimization framework. Simulation based results on IEEE distribution networks showcase the effectiveness of the approach.

Nazir, Mohammad Nawaf↗

Formulation and solution approach for calibrating activity-based travel demand model-system via microsimulation

This study addresses the problem of calibrating utility-maximizing nested logit activity-based travel demand model-systems. After estimation, it is common practice to use aggregate measurements to calibrate the estimated model-system’s parameters prior to their application in transportation planning, policy making, and operations. However, calibration of activity-based model-systems has received much less attention. Existing calibration approaches are myopic heuristics in the sense that they do not consider the fundamental inter-dependencies among choice-models and do not have a systematic way to adjust model parameters. Also, other purely simulation-based approaches do not perform well in large-scale applications. In this study, we focus on utility-maximizing nested logit activity-based model-systems and calibrating aggregate statistics such as activity shares, mode shares, time-dependent & mode-specific OD flows, and time-dependent & mode-specific sensor counts. We formulate the calibration problem as a simulation-based optimization problem and propose a stochastic gradient-based solution procedure to solve it. The solution procedure relies on microsimulation to calculate expectations of the aggregate statistics of interest to the calibration problem. Additionally, we derive approximate analytical expressions for the gradient of the objective function —that are evaluated through microsimulation on mini-batches of the population. The proposed solution procedure is sensitive to the fundamental structure of the activity-based model-system and is non-myopic in considering the dependencies across its model components. The formulated optimization problem is non-convex, highly nonlinear, and potentially has multiple-minima. Lastly, we show —through a real-world application— that the proposed solution procedure outperforms other state-of-the-art purely simulation-based optimization approaches in terms of computational efficiency, stability, and convergence. We also compare various gradient-based solution algorithms to determine the best algorithm to update the parameters. This work has the potential to facilitate wider and easier application of activity-based model-systems.

97 MATHEMATICS AND COMPUTING↗

Evaluating the effects of real power losses in optimal power flow based storage integration

This study proposes a DC optimal power flow (DCOPF) with losses formulation (the `-DCOPF+S problem) and uses it to investigate the role of real power losses in OPF based grid-scale storage integration. We derive the `- DCOPF+S problem by augmenting a standard DCOPF with storage (DCOPF+S) problem to include quadratic real power loss approximations. This procedure leads to a multi-period nonconvex quadratically constrained quadratic program, which we prove can be solved to optimality using either a semidefinite or second order cone relaxation. Our approach has some important benefits over existing models. It is more computationally tractable than ACOPF with storage (ACOPF+S) formulations and the provably exact convex relaxations guarantee that an optimal solution can be attained for a feasible problem. Adding loss approximations to a DCOPF+S model leads to a more accurate representation of locational marginal prices, which have been shown to be critical to determining optimal storage dispatch and siting in prior ACOPF+S based studies. Case studies demonstrate the improved accuracy of the `-DCOPF+S model over a DCOPF+S model and the computational advantages over an ACOPF+S formulation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A frozen Gaussian approximation-based multi-level particle swarm optimization for seismic inversion

In this paper, we propose a frozen Gaussian approximation (FGA)-based multi-level particle swarm optimization (MLPSO) method for seismic inversion of high-frequency wave data. The method addresses two challenges in it: First, the optimization problem is highly non-convex, which makes hard for gradient-based methods to reach global minima. This is tackled by MLPSO which can escape from undesired local minima. Second, the character of high-frequency of seismic waves requires a large number of grid points in direct computational methods, and thus renders an extremely high computational demand on the simulation of each sample in MLPSO. We overcome this difficulty by three steps: First, we use FGA to compute high-frequency wave propagation based on asymptotic analysis on phase plane; Then we design a constrained full waveform inversion problem to prevent the optimization search getting into regions of velocity where FGA is not accurate; Last, we solve the constrained optimization problem by MLPSO that employs FGA solvers with different fidelity. The performance of the proposed method is demonstrated by a two-dimensional full-waveform inversion example of the smoothed Marmousi model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

First and Second Order Necessary Conditions for Stochastic Optimal Control Problems

In this work we consider a stochastic optimal control problem with either convex control constraints or finitely many equality and inequality constraints over the final state. Using the variational approach, we are able to obtain first and second order expansions for the state and cost function, around a local minimum. This fact allows us to prove general first order necessary condition and, under a geometrical assumption over the constraint set, second order necessary conditions are also established. We end by giving second order optimality conditions for problems with constraints on expectations of the final state.

97 MATHEMATICS AND COMPUTING↗

Nonconvex regularization for sparse neural networks

Convex ℓ 1 regularization using an infinite dictionary of neurons has been suggested for constructing neural networks with desired approximation guarantees, but can be affected by an arbitrary amount of over-parametrization. This can lead to a loss of sparsity and result in networks with too many active neurons for the given data, in particular if the number of data samples is large. As a remedy, in this paper, a nonconvex regularization method is investigated in the context of shallow ReLU networks: We prove that in contrast to the convex approach, any resulting (locally optimal) network is finite even in the presence of infinite data (i.e., if the data distribution is known and the limiting case of infinite samples is considered). Moreover, here we show that approximation guarantees and existing bounds on the network size for finite data are maintained.

97 MATHEMATICS AND COMPUTING↗