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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Variational Quantum Algorithms for Semidefinite Programming

A semidefinite program (SDP) is a particular kind of convex optimization problem with applications in operations research, combinatorial optimization, quantum information science, and beyond. In this work, we propose variational quantum algorithms for approximately solving SDPs. For one class of SDPs, we provide a rigorous analysis of their convergence to approximate locally optimal solutions, under the assumption that they are weakly constrained (i.e., N " M, where N is the dimension of the input matrices and M is the number of constraints). We also provide algorithms for a more general class of SDPs that requires fewer assumptions. Finally, we numerically simulate our quantum algorithms for applications such as MaxCut, and the results of these simulations provide evidence that convergence still occurs in noisy settings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Variational Quantum Algorithms for Semidefinite Programming

A semidefinite program (SDP) is a particular kind of convex optimization problem with applications in operations research, combinatorial optimization, quantum information science, and beyond. In this work, we propose variational quantum algorithms for approximately solving SDPs. For one class of SDPs, we provide a rigorous analysis of their convergence to approximate locally optimal solutions, under the assumption that they are weakly constrained (i.e., N$\gg$M, where N is the dimension of the input matrices and M is the number of constraints). We also provide algorithms for a more general class of SDPs that requires fewer assumptions. Finally, we numerically simulate our quantum algorithms for applications such as MaxCut, and the results of these simulations provide evidence that convergence still occurs in noisy settings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Semidefinite programming algorithm for the quantum mechanical bootstrap

Here, we present a semidefinite programming algorithm to find eigenvalues of Schrödinger operators within the bootstrap approach to quantum mechanics. The bootstrap approach involves two ingredients: a nonlinear set of constraints on the variables (expectation values of operators in an energy eigenstate), plus positivity constraints (unitarity) that need to be satisfied. By fixing the energy we linearize all the constraints and show that the feasibility problem can be presented as an optimization problem for the variables that are not fixed by the constraints and one additional slack variable that measures the failure of positivity. To illustrate the method we are able to obtain high-precision, sharp bounds on eigenenergies for arbitrary confining polynomial potentials in one dimension.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Regulation of Dynamical Systems to Optimal Solutions of Semidefinite Programs: Algorithms and Applications to AC Optimal Power Flow

This paper considers a collection of networked nonlinear dynamical systems, and addresses the synthesis of feedback controllers that seek optimal operating points corresponding to the solution of pertinent network-wide optimization problems. Particular emphasis is placed on the solution of semidefinite programs (SDPs). The design of the feedback controller is grounded on a dual e-subgradient approach, with the dual iterates utilized to dynamically update the dynamical-system reference signals. Global convergence is guaranteed for diminishing stepsize rules, even when the reference inputs are updated at a faster rate than the dynamical-system settling time. The application of the proposed framework to the control of power-electronic inverters in AC distribution systems is discussed. The objective is to bridge the time-scale separation between real-time inverter control and network-wide optimization. Optimization objectives assume the form of SDP relaxations of prototypical AC optimal power flow problems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

A semidefinite program solver for the conformal bootstrap

We introduce SDPB: an open-source, parallelized, arbitrary-precision semidefinite program solver, designed for the conformal bootstrap. SDPB significantly outperforms less specialized solvers and should enable many new computations. As an example application, we compute a new rigorous high-precision bound on operator dimensions in the 3d Ising CFT, Δ σ = 0.518151(6), Δ ϵ = 1.41264(6).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Scalable semidefinite programming approach to variational embedding for quantum many-body problems

In quantum embedding theories, a quantum many-body system is divided into localized clusters of sites which are treated with an accurate ‘high-level’ theory and glued together self-consistently by a less accurate ‘low-level’ theory at the global scale. The recently introduced variational embedding approach for quantum many-body problems combines the insights of semidefinite relaxation and quantum embedding theory to provide a lower bound on the ground-state energy that improves as the cluster size is increased. The variational embedding method is formulated as a semidefinite program (SDP), which can suffer from poor computational scaling when treated with black-box solvers. Here, we exploit the interpretation of this SDP as an embedding method to develop an algorithm which alternates parallelizable local updates of the high-level quantities with updates that enforce the low-level global constraints. Moreover, we show how translation invariance in lattice systems can be exploited to reduce the complexity of projecting a key matrix to the positive semidefinite cone.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Distribution System State Estimation: A Semidefinite Programming Approach

Distribution system state estimation (DSSE) is one of the vital components in the next-generation distribution management system which allows operators to monitor the entire system's operating conditions. Due to the lack of real-time measurements, DSSE has to process measurements whose quality varies significantly across different sources, which causes a convergence issue to the Gauss-Newton solver. In this paper, a semidefinite programming (SDP) framework is proposed to reformulate the DSSE problem into a rank- constrained SDP problem. One challenge of this technique is the nonconvex rank-one constraint, which is generally relaxed. However, the relaxed SDP-DSSE problem cannot guarantee a rank-one solution and hence loses optimality. Therefore, we propose two solution approaches to obtain rank-one solutions for the SDPDSSE problem: the rank reduction approach and the convex iteration approach. The model and the effectiveness of the proposed solution approaches are numerically demonstrated on the IEEE 13-bus, 34-bus, and 123-bus distribution systems.

convex iteration↗
DOE OSTI2023

Multi-output multilevel best linear unbiased estimators via semidefinite programming

Multifidelity forward uncertainty quantification (UQ) problems often involve multiple quantities of interest and heterogeneous models (e.g., different grids, equations, dimensions, physics, surrogate and reduced-order models). While computational efficiency is key in this context, multi-output strategies in multilevel/multifidelity methods are either sub-optimal or non-existent. In this paper we extend multilevel best linear unbiased estimators (MLBLUE) to multi-output forward UQ problems and we present new semidefinite programming formulations for their optimal setup. Not only do these formulations yield the optimal number of samples required, but also the optimal selection of low-fidelity models to use. While existing MLBLUE approaches are single-output only and require a non-trivial nonlinear optimization procedure, the new multi-output formulations can be solved reliably and efficiently. Here, we demonstrate the efficacy of the new methods and formulations in practical UQ problems with model heterogeneity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Global solutions of restricted open-shell Hartree-Fock theory from semidefinite programming with applications to strongly correlated quantum systems

We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems. While wave function approaches to Hartree-Fock theory yield an upper bound to the Hartree-Fock energy, we derive a semidefinite relaxation of Hartree-Fock theory that yields a rigorous lower bound on the Hartree-Fock energy. We also develop an upper-bound algorithm in which Hartree-Fock theory is cast as a SDP with a nonconvex constraint on the rank of the matrix variable. Equality of the upper- and lower-bound energies guarantees that the computed solution is the globally optimal solution of Hartree-Fock theory. The work extends a previously presented method for closed-shell systems [S. Veeraraghavan and D. A. Mazziotti, Phys. Rev. A 89, 010502–R (2014)]. For strongly correlated systems the SDP approach provides an alternative to the locally optimized Hartree-Fock energies and densities with a certificate of global optimality. Applications are made to the potential energy curves of C{sub 2}, CN, Cr {sub 2}, and NO {sub 2}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Stochastic Control of Energy Efficient Buildings: A Semidefinite Programming Approach

The key goal in energy efficient buildings is to reduce energy consumption of Heating, Ventilation, and Air- Conditioning (HVAC) systems while maintaining a comfortable temperature and humidity in the building. This paper proposes a novel stochastic control approach for achieving joint performance and power control of HVAC. We employ a constrained Stochastic Linear Quadratic Control (cSLQC) by minimizing a quadratic cost function with a disturbance assumed to be Gaussian. The problem is formulated to minimize the expected cost subject to a linear constraint and a probabilistic constraint. By using cSLQC, the problem is reduced to a semidefinite optimization problem, where the optimal control can be computed efficiently by Semidefinite programming (SDP). Simulation results are provided to demonstrate the effectiveness and power efficiency by utilizing the proposed control approach.

Ma, Xiao↗
DOE OSTI2018

Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree–Fock Theory

The Hartree–Fock problem was recently recast as a semidefinite optimization over the space of rank-constrained two-body reduced-density matrices (RDMs) [ Phys. Rev. A 2014, 89, 010502(R)]. This formulation of the problem transfers the nonconvexity of the Hartree–Fock energy functional to the rank constraint on the two-body RDM. We consider an equivalent optimization over the space of positive semidefinite one-electron RDMs (1-RDMs) that retains the nonconvexity of the Hartree–Fock energy expression. The optimized 1-RDM satisfies ensemble N-representability conditions, and ensemble spin-state conditions may be imposed as well. The spin-state conditions place additional linear and nonlinear constraints on the 1-RDM. We apply this RDM-based approach to several molecular systems and explore its spatial (point group) and spin (Ŝ 2 and Ŝ 3 ) symmetry breaking properties. When imposing Ŝ 2 and Ŝ 3 symmetry but relaxing point group symmetry, the procedure often locates spatial-symmetry-broken solutions that are difficult to identify using standard algorithms. For example, the RDM-based approach yields a smooth, spatial-symmetry-broken potential energy curve for the well-known Be–H 2 insertion pathway. We also demonstrate numerically that, upon relaxation of Ŝ 2 and Ŝ 3 symmetry constraints, the RDM-based approach is equivalent to real-valued generalized Hartree–Fock theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Efficiently Computable Limits on EPR Pair Generation in Quantum Broadcast Channels

We investigate the generation of EPR pairs between three observers in a general causally structured setting, where communication occurs via a noisy quantum broadcast channel. The most general quantum codes for this setup take the form of tripartite quantum channels. Since the receivers are constrained by causal ordering, additional temporal relationships naturally emerge between the parties. These causal constraints enforce intrinsic no-signalling conditions on any tripartite operation, ensuring that it constitutes a physically realizable quantum code for a quantum broadcast channel. We analyze these constraints and, more broadly, characterize the most general quantum codes for communication over such channels. We examine the capabilities of codes that are fully no-signalling among the three parties, positive partial transpose (PPT)-preserving, or both, and derive simple semidefinite programs to compute the achievable entanglement fidelity. We then establish a hierarchy of semidefinite programming converse bounds -- both weak and strong -- for the capacity of quantum broadcast channels for EPR pair generation, in both one-shot and asymptotic regimes. Notably, in the special case of a point-to-point channel, our strong converse bound recovers and strengthens existing results. Finally, we demonstrate how the PPT-preserving codes we develop can be leveraged to construct PPT-preserving entanglement combing schemes, and vice versa.

FOS: Physical sciences↗
DOE OSTI2024

Flexible dynamic boundary microgrid operation considering network and load unbalances

Flexible microgrids with dynamic boundaries have recently been introduced in the literature. With the ability to reconfigure the topology of the microgrids dynamically through remotely controlled switches, flexible microgrids with dynamic boundaries can further improve the resiliency and energy efficiency of microgrids with distributed energy resources (DERs). This paper focuses on the optimal operation considering one of the predominant characteristics of microgrids and distribution systems – unbalanced networks and loads. In existing literature, balanced modeling of microgrids is more common due to its attractive simplicity. The three-phase power unbalance has not been considered as a constraint on the generation units in a microgrid. Further, negative sequence constraints have also been neglected. In this article, we propose a set of constraints that is specifically related to the capabilities of inverter interfaced resources to supply unbalanced current/power when the microgrid is islanded from the main distribution grid. We incorporate the new set of constraints into two optimization formulations leveraging two convex relaxations of the three-phase power flow equations: mixed-integer linear programming (MILP) and mixed-integer semidefinite programming (MISDP) that optimize the dispatch of controllable switches and DERs in the microgrid. The algorithms are then extended to networked microgrids with grid-forming sources. We test the algorithms on a realistic community microgrid model in Puerto Rico as well as standardized IEEE distribution test feeders. The testing results demonstrate the performance of the proposed algorithms. The MILP is fast and scalable, and the MISDP enforces the negative sequence voltage constraints.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Coordinating Multiple Sources for Service Restoration to Enhance Resilience of Distribution Systems

When a major outage occurs on a distribution system due to extreme events, microgrids, distributed generators, storage devices, and other local resources can be used to restore critical loads and enhance resiliency. This paper proposes a decision-making method to determine the optimal restoration strategy coordinating multiple sources to serve critical loads after a major outage. The critical load restoration problem is formulated as a mixed -integer semidefinite program. The objective is maximizing the number of loads restored, weighted by their priority. The unbalanced three-phase power flow constraint and operational constraints are considered. An iterative algorithm is proposed to deal with integer variables and can attain the global optimum of the critical load restoration problem by solving a few semidefinite programs under mild conditions. The effectiveness of the proposed models and algorithm is validated by numerical simulation with the modified IEEE 13-node test feeder and the modified IEEE123-node test feeder under a large number of scenarios. The results indicate that the optimal restoration strategy can be determined efficiently in most scenarios

Wang, Ying↗
DOE OSTI2020

Virtual-Voltage Partition-Based Approach to Optimal Transmission Switching

This article deals with optimal transmission switching (OTS) problems involving binary decisions about network topology and nonconvex power flow constraints. We adopt a semidefinite programming formulation for the optimal power flow (OPF) problem that, however, remains nonconvex due to the presence of discrete variables and bilinear products between the decision variables. To tackle the latter, we introduce a physically inspired, virtual-voltage approximation that leads to provable lower and upper bounds on the solution of the original problem. To deal with the exponential complexity caused by the discrete variables, we introduce a graph partition-based algorithm that breaks the problem into several parallel mixed-integer subproblems of smaller size. Simulations on the IEEE bus test cases demonstrate the high degree of accuracy and affordable computational requirements of our approach.

42 ENGINEERING↗