The optimization landscape of hybrid quantum–classical algorithms: From quantum control to NISQ applications
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Automation & Control Systems↗
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Responses of Marginal and Intrinsic Water-Use Efficiency to Changing Aridity Using FLUXNET Observations
According to classic stomatal optimization theory, plant stomata are regulated to maximize carbon assimilation for a given water loss. A key component of stomatal optimization models is marginal water-use efficiency (mWUE), the ratio of the change of transpiration to the change in carbon assimilation. Although the mWUE is often assumed to be constant, variability of mWUE under changing hydrologic conditions has been reported. However, there has yet to be a consensus on the patterns of mWUE variabilities and their relations with atmospheric aridity. We investigate the dynamics of mWUE in response to vapor pressure deficit (VPD) and aridity index using carbon and water fluxes from 115 eddy covariance towers available from the global database FLUXNET. We demonstrate a non-linear mWUE-VPD relationship at a sub-daily scale in general; mWUE varies substantially at both low and high VPD levels. However, mWUE remains relatively constant within the mid-range of VPD. Despite the highly non-linear relationship between mWUE and VPD, the relationship can be informed by the strong linear relationship between ecosystem-level inherent water-use efficiency (IWUE) and mWUE using the slope, m *. We further identify site-specific m * and its variability with changing site-level aridity across six vegetation types. We suggest accurately representing the relationship between IWUE and VPD using Michaelis–Menten or quadratic functions to ensure precise estimation of mWUE variability for individual sites.
54 ENVIRONMENTAL SCIENCES↗
Game-Theoretic Approach for Electricity Pricing Between Distribution System Operator and Load Aggregators
Transactive energy has emerged and gained more and more attention in recent years along with smart grid two-way communication technologies. Electricity pricing strategies play a critical role in influencing and shaping the customers’ energy load profile. In this paper, we investigate the electricity pricing strategy between a distribution system operator (DSO) and load aggregators (LAs) by adopting a bi-level Stackelberg game approach. With the purpose of maximizing its own operating revenue as well as better serving its customers, the upper level DSO will determine the price considering how lower level LAs will respond to it. Peak-to-average ratio of the total demand is modeled as a constraint and peak load is penalized at the upper optimization level. Classical backward induction is used to obtain a Nash equilibrium for the formulated bi-level Stackelberg game. Numerical results demonstrate the effectiveness of the proposed game approach in leveraging flexible demand potential to benefit both DSO and LAs.
Chen, Yang↗
Rolling Horizon Based Temporal Decomposition for the Offline Pickup and Delivery Problem with Time Windows
The offline pickup and delivery problem with time windows (PDPTW) is a classical combinatorial optimization problem in the transportation community, which has proven to be very challenging computationally. Due to the complexity of the problem, practical problem instances can be solved only via heuristics, which trade-off solution quality for computational tractability. Among the various heuristics, a common strategy is problem decomposition, that is, the reduction of a large-scale problem into a collection of smaller sub-problems, with spatial and temporal decompositions being two natural approaches. While spatial decomposition has been successful in certain settings, effective temporal decomposition has been challenging due to the difficulty of stitching together the sub-problem solutions across the decomposition boundaries. In this work, we introduce a novel temporal decomposition scheme for solving a class of PDPTWs that have narrow time windows, for which it is able to provide both fast and high-quality solutions. We utilize techniques that have been popularized recently in the context of online dial-a-ride problems along with the general idea of rolling horizon optimization. To the best of our knowledge, this is the first attempt to solve offline PDPTWs using such an approach. To show the performance and scalability of our framework, we use the optimization of paratransit services as a motivating example. Due to the lack of benchmark solvers similar to ours (i.e., temporal decomposition with an online solver), we compare our results with an offline heuristic algorithm using Google OR-Tools. In smaller problem instances (with an average of 129 requests per instance), the baseline approach is as competitive as our framework. However, in larger problem instances (approximately 2,500 requests per instance), our framework is more scalable and can provide good solutions to problem instances of varying degrees of difficulty, while the baseline algorithm often fails to find a feasible solution within comparable compute times.
Kim, Youngseo↗
Novel Geometric Operations for Linear Programming
This report summarizes the work performed under the project "Linear Programming in Strongly Polynomial Time." Linear programming (LP) is a classic combinatorial optimization problem heavily used directly and as an enabling subroutine in integer programming (IP). Specifically IP is the same as LP except that some solution variables must take integer values (e.g. to represent yes/no decisions). Together LP and IP have many applications in resource allocation including general logistics, and infrastructure design and vulnerability analysis. The project was motivated by the PI's recent success developing methods to efficiently sample Voronoi vertices (essentially finding nearest neighbors in high-dimensional point sets) in arbitrary dimension. His method seems applicable to exploring the high-dimensional convex feasible space of an LP problem. Although the project did not provably find a strongly-polynomial algorithm, it explored multiple algorithm classes. The new medial simplex algorithms may still lead to solvers with improved provable complexity. We describe medial simplex algorithms and some relevant structural/complexity results. We also designed a novel parallel LP algorithm based on our geometric insights and implemented it in the Spoke-LP code. A major part of the computational step is many independent vector dot products. Our parallel algorithm distributes the problem constraints across processors. Current commercial and high-quality free LP solvers require all problem details to fit onto a single processor or multicore. Our new algorithm might enable the solution of problems too large for any current LP solvers. We describe our new algorithm, give preliminary proof-of-concept experiments, and describe a new generator for arbitrarily large LP instances.
97 MATHEMATICS AND COMPUTING↗
Exploration of Quantum Machine Learning and AI Accelerators for Fusion Science
The dawn of the noisy intermediate-scale quantum (NISQ) era sparked rapid development in variational quantum algorithms. These algorithms, utilizing parameterized quantum circuit optimized by classical computers with feedback, are practical under the constraints of the current hardware and can potentially show quantum advantage. In recent years, these variational circuit are applied to neural networks, hoping to boost the triumphant success of deep learning. We simulate various of quantum-classical hybrid neural networks applied to scientific tasks, and seek to understand their capabilities and limitations. Specifically, we devise quantum convolutional layers and apply them to deep neural networks used for predicting plasma disruption in fusion reactors.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Tradeoffs in hybrid quantum-classical algorithms for designing quantum optimal controls
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Magann, Alicia Bette↗
Scattering wave packets of hadrons in gauge theories: Preparation on a quantum computer
Quantum simulation holds promise of enabling a complete description of high-energy scattering processes rooted in gauge theories of the Standard Model. A first step in such simulations is preparation of interacting hadronic wave packets. To create the wave packets, one typically resorts to adiabatic evolution to bridge between wave packets in the free theory and those in the interacting theory, rendering the simulation resource intensive. In this work, we construct a wave-packet creation operator directly in the interacting theory to circumvent adiabatic evolution, taking advantage of resource-efficient schemes for ground-state preparation, such as variational quantum eigensolvers. By means of an ansatz for bound mesonic excitations in confining gauge theories, which is subsequently optimized using classical or quantum methods, we show that interacting mesonic wave packets can be created efficiently and accurately using digital quantum algorithms that we develop. Specifically, we obtain high-fidelity mesonic wave packets in the Z 2 and U(1) lattice gauge theories coupled to fermionic matter in 1+1 dimensions. Our method is applicable to both perturbative and non-perturbative regimes of couplings. The wave-packet creation circuit for the case of the Z 2 lattice gauge theory is built and implemented on the Quantinuum H1-1 trapped-ion quantum computer using 13 qubits and up to 308 entangling gates. The fidelities agree well with classical benchmark calculations after employing a simple symmetry-based noise-mitigation technique. This work serves as a step toward quantum computing scattering processes in quantum chromodynamics.
97 MATHEMATICS AND COMPUTING↗
Monitoring and decision making by people in man machine systems
The analysis of human monitoring and decision making behavior as well as its modeling are described. Classic and optimal control theoretical, monitoring models are surveyed. The relationship between attention allocation and eye movements is discussed. As an example of applications, the evaluation of predictor displays by means of the optimal control model is explained. Fault detection involving continuous signals and decision making behavior of a human operator engaged in fault diagnosis during different operation and maintenance situations are illustrated. Computer aided decision making is considered as a queueing problem. It is shown to what extent computer aids can be based on the state of human activity as measured by psychophysiological quantities. Finally, management information systems for different application areas are mentioned. The possibilities of mathematical modeling of human behavior in complex man machine systems are also critically assessed.
Johannsen, G.↗
Control law design to meet constraints using SYNPAC-synthesis package for active controls
Major features of SYNPAC (Synthesis Package for Active Controls) are described. SYNPAC employs constrained optimization techniques which allow explicit inclusion of design criteria (constraints) in the control law design process. Interrelationships are indicated between this constrained optimization approach, classical and linear quadratic Gaussian design techniques. Results are presented that were obtained by applying SYNPAC to the design of a combined stability augmentation/gust load alleviation control law for the DAST ARW-2.
Adams, W. M., Jr.↗
Efficiency characteristics of crescent-shaped wings and caudal fins
Caudal (tail) fins of fish and aquatic mammals that cruise long distances, and wings of certain birds, often have the shape of a crescent moon. This study investigates how the crescent shape contributes to the traveling performance of these animals. A steady-flow theory (Maskew, 1982) that correctly models the trailing wake was used to analyze lifting surface efficiency, which is dependent on the level of induced (or vortex) drag for a given lift and span of the lifting surface. This analysis shows that backward curvature of a wing improves induced efficiency to a value greater than that of the flat untwisted wing of elliptical shape considered optimal in classical wing theory (Prandt, 1921 and Munk, 1921). This increase of induced efficiency results from the nonplanar trailing vortex sheet produced by the crescent-shaped wing at a given angle of attack.
Van Dam, C. P.↗
Leveraging Quantum Computing for Accelerated Classical Algorithms in Power Systems Optimization
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24 POWER TRANSMISSION AND DISTRIBUTION↗
Optimized low-depth quantum circuits for molecular electronic structure using a separable-pair approximation
We present a classically tractable model that leads to optimized low-depth quantum circuits leveraging separable-pair approximations. The obtained circuits are well suited as a baseline circuit for emerging quantum hardware and can, in the long term, provide significantly improved initial states for quantum algorithms. The associated wave functions can be represented with linear memory requirement, which allows classical optimization of the circuits and naturally defines a minimum benchmark for quantum algorithms. In this work we employ directly determined pair-natural orbitals within a basis-set-free approach. This leads to accurate representation of the one- and many-body parts for weakly correlated systems and we explicitly illustrate how the model can be integrated into other quantum algorithms for stronger correlated systems.
74 ATOMIC AND MOLECULAR PHYSICS↗
A Numerical Comparison of Barrier and Modified Barrier Methods for Large-Scale Bound-Constrained Optimization
When a classical barrier method is applied to the solution of a nonlinear programming problem with inequality constraints, the Hessian matrix of the barrier function becomes increasingly ill-conditioned as the solution is approached. As a result, it may be desirable to consider alternative numerical algorithms. We compare the performance of two methods motivated by barrier functions. The first is a stabilized form of the classical barrier method, where a numerically stable approximation to the Newton direction is used when the barrier parameter is small. The second is a modified barrier method where a barrier function is applied to a shifted form of the problem, and the resulting barrier terms are scaled by estimates of the optimal Lagrange multipliers. The condition number of the Hessian matrix of the resulting modified barrier function remains bounded as the solution to the constrained optimization problem is approached. Both of these techniques can be used in the context of a truncated-Newton method, and hence can be applied to large problems, as well as on parallel computers. In this paper, both techniques are applied to problems with bound constraints and we compare their practical behavior.
Nash, Stephen G.↗
A Preconditioning Method for Shape Optimization Governed by the Euler Equations
We consider a classical aerodynamic shape optimization problem subject to the compressible Euler flow equations. The gradient of the cost functional with respect to the shape variables is derived with the adjoint method at the continuous level. The Hessian (second order derivative of the cost functional with respect to the shape variables) is approximated also at the continuous level, as first introduced by Arian and Ta'asan (1996). The approximation of the Hessian is used to approximate the Newton step which is essential to accelerate the numerical solution of the optimization problem. The design space is discretized in the maximum dimension, i.e., the location of each point on the intersection of the computational mesh with the airfoil is taken to be an independent design variable. We give numerical examples for 86 design variables in two different flow speeds and achieve an order of magnitude reduction in the cost functional at a computational effort of a full solution of the analysis partial differential equation (PDE).
Arian, Eyal↗
Designing laminated composites using random search techniques
A computer program called UWCODA is presented. UWCODA is intended to assist in the design, analysis and optimization of composite plates. UWCODA combines a state-of-the-art global optimization algorithm (Improving Hit and Run) with classical lamination theory. Optimization results are presented for simple loading conditions as well as for complex, biaxial load conditions. The computer code proved to be very effective in the design of composite plates.
Graesser, D. L.↗
Classical symmetries and the Quantum Approximate Optimization Algorithm
Here, we study the relationship between the Quantum Approximate Optimization Algorithm (QAOA) and the underlying symmetries of the objective function to be optimized. Our approach formalizes the connection between quantum symmetry properties of the QAOA dynamics and the group of classical symmetries of the objective function. The connection is general and includes but is not limited to problems defined on graphs. We show a series of results exploring the connection and highlight examples of hard problem classes where a nontrivial symmetry subgroup can be obtained efficiently. In particular, we show how classical objective function symmetries lead to invariant measurement outcome probabilities across states connected by such symmetries, independent of the choice of algorithm parameters or number of layers. To illustrate the power of the developed connection, we apply machine learning techniques toward predicting QAOA performance based on symmetry considerations. We provide numerical evidence that a small set of graph symmetry properties suffices to predict the minimum QAOA depth required to achieve a target approximation ratio on the MaxCut problem, in a practically important setting where QAOA parameter schedules are constrained to be linear and hence easier to optimize.
97 MATHEMATICS AND COMPUTING↗
Retargetable Optimizing Compilers for Quantum Accelerators via a Multi-Level Intermediate Representation
In this work, we present a multi-level quantum-classical intermediate representation (IR) that enables an optimizing, retargetable compiler for available quantum languages. Our work builds upon the Multi-level Intermediate Representation (MLIR) framework and leverages its unique progressive lowering capabilities to map quantum languages to the LLVM machine-level IR. We provide both quantum and classical optimizations via the MLIR pattern rewriting sub-system and standard LLVM optimization passes, and demonstrate the programmability, compilation, and execution of our approach via standard benchmarks and test cases. In comparison to other standalone language and compiler efforts available today, our work results in compile times that are 1000x faster than standard Pythonic approaches, and 5-10x faster than comparative standalone quantum language compilers. Our compiler provides quantum resource optimizations via standard programming patterns that result in a 10x reduction in entangling operations, a common source of program noise. We see this work as a vehicle for rapid quantum compiler prototyping.
43 PARTICLE ACCELERATORS↗