This paper aims to contextualize the requirements for Quantum Computing (QC) algorithms to achieve a quantum advantage in solving the alternating current power flow (ACPF) problem, with a focus on runtime complexity. First, we establish a benchmark for a QC iterative solver to demonstrate an advantage over the classical Newton-Raphson Load Flow (NRLF) algorithm. Next, we derive a baseline expression for the end-to-end runtime complexity of any Gate-based QC algorithm as Ω(N κ/ε), reflecting dependence on system size N, condition number κ, and error tolerance ε. Finally, we highlight key areas where QC algorithms may offer potential benefits over NRLF in addressing the standard ACPF problem.

Quantum computers hold promise for solving problems intractable for classical computers, especially those with high time or space complexity. Practical quantum advantage can be said to exist for such problems when the end-to-end time for solving such a problem using a classical algorithm exceeds that required by a quantum algorithm. Reducing the power flow (PF) problem into a linear system of equations allows for the formulation of quantum PF (QPF) algorithms, which are based on solving methods for quantum linear systems such as the Harrow-Hassidim-Lloyd (HHL) algorithm. Speedup from using QPF algorithms is often claimed to be exponential when compared to classical PF solved by state-of-the-art algorithms. We investigate the potential for practical quantum advantage in solving QPF compared to classical methods on gate-based quantum computers. Notably, this paper does not present a new QPF solving algorithm but scrutinizes the end-to-end complexity of the QPF approach, providing a nuanced evaluation of the purported quantum speedup in this problem. Our analysis establishes a best-case bound for the HHL-based quantum power flow complexity, conclusively demonstrating that the HHL-based method has higher runtime complexity compared to the classical algorithm for solving the direct current power flow (DCPF) and fast decoupled load flow (FDLF) problem. Notably, our analysis and conclusions can be extended to any quantum linear system solver with rigorous performance guarantees, based on the known complexity lower bounds for this problem. Additionally, we establish that for potential practical quantum advantage (PQA) to exist it is necessary to consider DCPF-type problems with a very narrow range of condition number values and readout requirements.

Quantum annealing provides a powerful platform for simulating magnetic materials and realizing statistical physics models, presenting a compelling alternative to classical Monte Carlo methods. We demonstrate that quantum annealers can accurately reproduce phase diagrams and simulate critical phenomena without suffering from the critical slowing down that often affects classical algorithms. To illustrate this, we study the piled-up dominoes model, which interpolates between the ferromagnetic 2D Ising model and Villain's fully frustrated "odd model". We map out its phase diagram and employ finite-size scaling and Binder cumulants on a quantum annealer to study critical exponents for thermal phase transitions. Our method achieves systematic temperature control by tuning the energy scale of the Hamiltonian, eliminating the need to adjust the physical temperature of the quantum hardware. This work demonstrates how, through fine-tuning and calibration, a quantum annealer can be employed to apply sophisticated finite-size scaling techniques from statistical mechanics. Our results establish quantum annealers as robust statistical physics simulators, offering a novel pathway for studying phase transitions and critical behavior.

The emergence of quantum computing technology over the last decade indicates the potential for a transformational impact in the study of quantum mechanical systems. It is natural to presume that such computing technologies would be valuable to large scientific institutions, such as United States national laboratories. However, detailed descriptions of what these institutions would like to use these computers for are limited. To help provide some initial insights into this topic, this report develops detailed use cases of how quantum computing technology could be utilized to enhance a variety of quantum physics research activities at Los Alamos National Laboratory, including quantum magnetic materials, high-temperature superconductivity and nuclear astrophysics simulations. The report discusses how current high-performance computers are used for scientific discovery today and develops detailed descriptions of the types of quantum physics simulations that Los Alamos National Laboratory scientists would like to conduct, if a sufficient computing technology became available. While the report strives to highlight the breadth of potential application areas for quantum computation, this investigation has also indicated that many more use cases exist at Los Alamos National Laboratory, which could be documented in similar detail with sufficient time and effort.

We demonstrate that valid inequalities, or lifted nonlinear cuts (LNC), can be projected to tighten the Second Order Cone (SOC), Convex DistFlow (CDF), and Network Flow (NF) relaxations of the AC Optimal Power Flow (AC-OPF) problem. We conduct experiments on 38 cases from the PGLib-OPF library, showing that the LNC strengthen the SOC and CDF relaxations in 100% of the test cases, with average and maximum differences in the optimality gaps of 6.2% and 17.5% respectively. The NF relaxation is strengthened in 46.2% of test cases, with average and maximum differences in the optimality gaps of 1.3% and 17.3% respectively. We also study the trade-off between relaxation quality and solve time, demonstrating that the strengthened CDF relaxation outperforms the strengthened SOC formulation in terms of runtime and number of iterations needed, while the strengthened NF formulation is the most scalable with the lowest relaxation quality improvement due to these LNC.

We introduce Autoregressive Graphical Models (AGMs) as an Ansatz for modeling the ground states of stoquastic Hamiltonians. Exact learning of these models for smaller systems show the dominance of the pairwise terms in the autoregressive decomposition, which informs our modeling choices when the Ansatz is used to find representations for ground states of larger systems. We find that simple AGMs with pairwise energy functions trained using first-order stochastic gradient methods often outperform more complex non-linear models trained using the more expensive stochastic reconfiguration method. We also test our models on Hamiltonians with frustration and observe that the simpler linear model used here shows faster convergence to the variational minimum in a resource-limited setting.

Demonstrations of quantum advantage for certain sampling problems have generated considerable excitement for quantum computing and have further spurred the development of circuit-model quantum computers, which represent quantum programs as a sequence of quantum gates acting on a finite number of qubits. Amongst this excitement, analog quantum computation has become less prominent, with the expectation that circuit-model quantum computers will eventually be sufficient for emulating analog quantum computation and thus rendering analog quantum computation obsolete. In this work we explore the basic requirements for emulating a specific analog quantum computation in the circuit model: the preparation of a biased superposition of degenerate ground states of an Ising Hamiltonian using an adiabatic evolution. We show that the overhead of emulation is substantial even for this simple problem. This supports using analog quantum computation for solving time-dependent Hamiltonian dynamics in the short term and midterm, assuming analog errors can be made low enough and coherence times long enough to solve problems of practical interest.

The recent advent of commercially available quantum annealing hardware (QAH) has expanded opportunities for research into quantum annealing-based algorithms. In the domain of power systems, this advancement has driven increased interest in applying such algorithms to mixed-integer problems (MIP) like Unit Commitment (UC). UC focuses on minimizing power generator operating costs while adhering to physical system constraints. Grid operators solve UC instances daily to meet power demand and ensure safe grid operations. This work presents a novel hybrid algorithm that leverages quantum and classical computing to solve UC more efficiently. We introduce a novel Benders-cut generation technique for UC, thereby enhancing cut quality, reducing expensive quantum-classical hardware interactions, and lowering qubit requirements. Additionally, we incorporate a k-local neighborhood search technique as a recovery step to ensure a higher quality solution than current QAH alone can achieve. The proposed algorithm, QC4UC, is evaluated on a modified instance of the IEEE RTS-96 test system. Results from both a simulated annealer and real QAH are compared, demonstrating the effectiveness of this algorithm in reducing qubit requirements and producing near-optimal solutions on noisy QAH.

Analog quantum computation is an attractive paradigm for the simulation of time-dependent quantum systems. Programmable analog quantum computers have been realized in hardware using a variety of physical principles, including neutral-atom and superconducting technologies. The input parameters of the physical Hamiltonians that are used to program the quantum simulator generally differ from the parameters that characterize the output distribution of data produced under a specified quantum dynamics. The relationship between the input and output parameters is known as the response function of the analog device. Here, we introduce a streaming algorithm for learning the response function of analog quantum computers from arbitrary user inputs, thus not requiring special calibration runs. We use the method to learn and compare the response functions of several generations of analog quantum simulators based on superconducting and neutral-atom programmable arrays.

Over the past decade, the usefulness of quantum annealing hardware for combinatorial optimization has been the subject of much debate. Thus far, experimental benchmarking studies have indicated that quantum annealing hardware does not provide an irrefutable performance gain over state-of-the-art optimization methods. However, as this hardware continues to evolve, each new iteration brings improved performance and warrants further benchmarking. To that end, this work conducts an optimization performance assessment of D-Wave Systems' most recent Advantage Performance Update computer, which can natively solve sparse unconstrained quadratic optimization problems with over 5,000 binary decision variables and 40,000 quadratic terms. We demonstrate that classes of contrived problems exist where this quantum annealer can provide run time benefits over a collection of established classical solution methods that represent the current state-of-the-art for benchmarking quantum annealing hardware. Although this work does not present strong evidence of an irrefutable performance benefit for this emerging optimization technology, it does exhibit encouraging progress, signaling the potential impacts on practical optimization tasks in the future.

Combinatorial optimization is anticipated to be one of the primary use cases for quantum computation in the coming years. The Quantum Approximate Optimization Algorithm (QAOA) and Quantum Annealing (QA) can potentially demonstrate significant run-time performance benefits over current state-of-the-art solutions. Inspired by existing methods to characterize classical optimization algorithms, we analyze the solution quality obtained by solving Max-Cut problems using gate-model quantum devices and a quantum annealing device. This is used to guide the development of an advanced benchmarking framework for quantum computers designed to evaluate the trade-off between run-time execution performance and the solution quality for iterative hybrid quantum-classical applications. The framework generates performance profiles through compelling visualizations that show performance progression as a function of time for various problem sizes and illustrates algorithm limitations uncovered by the benchmarking approach. As an illustration, we explore the factors that influence quantum computing system throughput, using results obtained through execution on various quantum simulators and quantum hardware systems.

We present a general denoising algorithm for performing simultaneous tomography of quantum states and measurement noise. This algorithm allows us to fully characterize state preparation and measurement (SPAM) errors present in any quantum system. Our method is based on the analysis of the properties of the linear operator space induced by unitary operations. Given any quantum system with a noisy measurement apparatus, our method can output the quantum state and the noise matrix of the detector up to a single gauge degree of freedom. We show that this gauge freedom is unavoidable in the general case, but this degeneracy can be generally broken using prior knowledge on the state or noise properties, thus fixing the gauge for several types of state-noise combinations with no assumptions about noise strength. Such combinations include pure quantum states with arbitrarily correlated errors, and arbitrary states with block independent errors. This framework can further use available prior information about the setting to systematically reduce the number of observations and measurements required for state and noise detection. Our method effectively generalizes existing approaches to the problem, and includes as special cases common settings considered in the literature requiring an uncorrelated or invertible noise matrix, or specific probe states.

In recent years, there has been an increasing need to understand the complex interdependencies between critical infrastructure systems, for example, electric power, natural gas, and potable water. Whereas open-source and commercial tools for the independent simulation of these systems are well established, frameworks for cosimulation with other systems are nascent and tools for co-optimization are scarce—the major challenge being the hidden combinatorics that arise when connecting multiple-infrastructure system models. Building toward a comprehensive solution for modeling interdependent infrastructure systems, this work presents InfrastructureModels, an extensible, open-source mathematical programming framework for co-optimizing multiple interdependent infrastructures. This work provides new insights into methods and programming abstractions that make state-of-the-art independent infrastructure models composable with minimal additional effort. To that end, this paper presents the design of the InfrastructureModels framework, documents key components of the software’s implementation, and demonstrates its effectiveness with three case studies on canonical co-optimization tasks arising in interdependent infrastructure systems. History: Accepted by Ted Ralphs, Area Editor for Software Tools. Funding: The work was funded by Los Alamos National Laboratory’s Directed Research and Development project “The Optimization of Machine Learning: Imposing Requirements on Artificial Intelligence” and the U.S. Department of Energy’s Office of Electricity Advanced Grid Modeling projects “Joint Power System and Natural Gas Pipeline Optimal Expansion Planning” and “Coordinated Planning and Operation of Water and Power Infrastructures for Increased Resilience and Reliability.” This work was carried out under the U.S. DOE contract no. [DE-AC52-06NA25396]. Supplemental Material: The software that supports the findings of this study is available within the paper and its Supplemental Information ( https://pubsonline.informs.org/doi/suppl/10.1287/ijoc.2022.0118 ) as well as from the IJOC GitHub software repository ( https://github.com/INFORMSJoC/2022.0118 ). The complete IJOC Software and Data Repository is available at https://informsjoc.github.io/ .

The classic pump scheduling or Optimal Water Flow (OWF) problem for water distribution networks (WDNs) minimizes the cost of power consumption for a given WDN over a fixed time horizon. In its exact form, the OWF is a computationally challenging mixed-integer nonlinear program (MINLP). It is complicated by nonlinear equality constraints that model network physics, discrete variables that model operational controls, and intertemporal constraints that model changes to storage devices. To address the computational challenges of the OWF, this paper develops tight polyhedral relaxations of the original MINLP, derives novel valid inequalities (or cuts) using duality theory, and implements novel optimization-based bound tightening and cut generation procedures. The efficacy of each new method is rigorously evaluated by measuring empirical improvements in OWF primal and dual bounds over forty-five literature instances. The evaluation suggests that our relaxation improvements, model strengthening techniques, and a thoughtfully selected polyhedral relaxation partitioning scheme can substantially improve OWF primal and dual bounds, especially when compared with similar relaxation-based techniques that do not leverage these new methods.

Recent increases in gas-fired power generation have engendered increased interdependencies between natural gas and power transmission systems. These interdependencies have amplified existing vulnerabilities in gas and power grids, where disruptions can require the curtailment of load in one or both systems. Although typically operated independently, coordination of these systems during severe disruptions can allow for targeted delivery to lifeline services, including gas delivery for residential heating and power delivery for critical facilities. To address the challenge of estimating maximum joint network capacities under such disruptions, we consider the task of determining feasible steady-state operating points for severely damaged systems while ensuring the maximal delivery of gas and power loads simultaneously, represented mathematically as the nonconvex joint Maximal Load Delivery (MLD) problem. To increase its tractability, we present a mixed-integer convex relaxation of the MLD problem. Then, to demonstrate the relaxation’s effectiveness in determining bounds on network capacities, exact and relaxed MLD formulations are compared across various multi-contingency scenarios on nine joint networks ranging in size from 25 to 1191 nodes. The relaxation-based methodology is observed to accurately and efficiently estimate the impacts of severe joint network disruptions, often converging to the relaxed MLD problem’s globally optimal solution within ten seconds.