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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 36 cases from the PGLib-OPF library for two objective functions, (1) power generation maximization and (2) generation cost minimization. Significant optimality gap improvements are shown for the maximization problem, where the LNC strengthen the SOC and CDF relaxations in 100% of the test cases, with average and maximum differences in the optimality gaps of 23.1% and 93.5% respectively. The NF relaxation is strengthened in 79.2% of test cases, with average and maximum differences in the optimality gaps of 3.45% and 21.2% 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 provided by these LNC.

Analog Quantum Computers are promising tools for improving performance on applications such as modeling behavior of quantum materials, providing fast heuristic solutions to optimization problems, and simulating quantum systems. Due to the challenges of simulating dynamic quantum systems, there are relatively few classical tools for modeling the behavior of these devices and verifying their performance. QuantumAnnealing.jl provides a toolkit for performing simulations of Analog Quantum Computers on classical hardware. This package includes functionality for simulation of the time evolution of the Transverse Field Ising Model, replicating annealing schedules used by real world annealing hardware, implementing custom annealing schedules, and more. This allows for rapid prototyping of models expected to display interesting behavior, verification of the performance of quantum devices, and easy comparison against the expected behavior of quantum devices against classical approaches for small systems. The software is provided as open-source and is available through Julia's package registry system., Comment: 10 pages, 15 figures

Incorporating the AC power flow equations into unit commitment models has the potential to avoid costly corrective actions required by less accurate power flow approximations. However, research on unit commitment with AC power flow constraints has been limited to a few relatively small test networks. This work investigates large-scale AC unit commitment problems for the day-ahead market and develops decomposition algorithms capable of obtaining high-quality solutions at industry-relevant scales. The results illustrate that a simple algorithm that only seeks to satisfy unit commitment, reserve, and AC power balance constraints can obtain surprisingly high-quality solutions to this AC unit commitment problem. However, a naive strategy that prioritizes reserve feasibility leads to AC infeasibility, motivating the need to design heuristics that can effectively balance reserve and AC feasibility. Finally, this work explores a parallel decomposition strategy that allows the proposed algorithm to obtain feasible solutions on large cases within the two hour time limit required by typical day-ahead market operations.

Demonstrations of quantum advantage for certain sampling problems has generated considerable excitement for quantum computing and has 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 and mid-term, assuming analog errors can be made low enough and coherence times long enough to solve problems of practical interest.

Quantum computers hold promise for solving problems intractable for classical computers, especially those with high time and/or space complexity. The reduction of the power flow (PF) problem into a linear system of equations, allows formulation of quantum power flow (QPF) algorithms, based on quantum linear system solving methods such as the Harrow-Hassidim-Lloyd (HHL) algorithm. The speedup due to QPF algorithms is claimed to be exponential when compared to classical PF solved by state-of-the-art algorithms. We investigate the potential for practical quantum advantage (PQA) in solving QPF compared to classical methods on gate-based quantum computers. We meticulously scrutinize the end-to-end complexity of QPF, providing a nuanced evaluation of the purported quantum speedup in this problem. Our analysis establishes a best-case bound for the HHL-QPF complexity, conclusively demonstrating the absence of any PQA in the direct current power flow (DCPF) and fast decoupled load flow (FDLF) problem. Additionally, we establish that for potential PQA to exist it is necessary to consider DCPF-type problems with a very narrow range of condition number values and readout requirements.

Recent advances in quantum computers are demonstrating the ability to solve problems at a scale beyond brute force classical simulation. As such, a widespread interest in quantum algorithms has developed in many areas, with optimization being one of the most pronounced domains. Across computer science and physics, there are a number of algorithmic approaches, often with little linkage. This is further complicated by the fragmented nature of the field of mathematical optimization, where major classes of optimization problems, such as combinatorial optimization, convex optimization, non-convex optimization, and stochastic extensions, have devoted communities. With these aspects in mind, this work draws on multiple approaches to study quantum optimization. Provably exact versus heuristic settings are first explained using computational complexity theory - highlighting where quantum advantage is possible in each context. Then, the core building blocks for quantum optimization algorithms are outlined to subsequently define prominent problem classes and identify key open questions that, if answered, will advance the field. The effects of scaling relevant problems on noisy quantum devices are also outlined in detail, alongside meaningful benchmarking problems. We underscore the importance of benchmarking by proposing clear metrics to conduct appropriate comparisons with classical optimization techniques. Lastly, we highlight two domains - finance and sustainability - as rich sources of optimization problems that could be used to benchmark, and eventually validate, the potential real-world impact of quantum optimization., Comment: 70 pages, 9 Figures, 4 Tables

Given the limitations of current hardware, the theoretical gains promised by quantum computing remain unrealized across practical applications. But the gap between theory and hardware is closing, assisted by developments in quantum algorithmic modeling. One such recent development is QuantumCircuitOpt (QCOpt), an open-source software framework that leverages state-of-the-art optimization-based solvers to find provably optimal compact circuit decompositions, which are exact up to global phase and machine precision. The quantum circuit design problem can be modeled using non-linear, non-convex constraints. However, QCOpt reformulates these non-linear constraints using well-known linearization techniques such that the resulting design problem is solved as a Mixed-Integer Linear Programming (MILP) model. In this work, we instead explore whether the QCOpt could also be effective with a continuous Non-Linear Programming (NLP) model obtained via relaxation of the integer variables in the non-linear constraints. We are able to present not only multiple significant enhancements to QCOpt, with up to 11.3x speed-up in run times on average, but also opportunities for more generally exploring the behavior of gradient-based NLP solvers.

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., Comment: 35 pages, 2 figures, Gauge transform definition fixed. DOI links fixed

Electric grid faults are increasingly the source of ignition for major wildfires. To reduce the likelihood of such ignitions in high risk situations, utilities use pre-emptive deenergization of power lines, commonly referred to as Public Safety Power Shut-offs (PSPS). Besides raising challenging trade-offs between power outages and wildfire safety, PSPS removes redundancy from the network just at a time when component faults are likely to happen. This may leave the network particularly vulnerable to unexpected line faults that may occur while the PSPS is in place. Previous works have not explicitly considered the impacts of such outages. To address this gap, we propose the Security-Constrained Optimal Power Shutoff (SC-OPS) problem which uses post-contingency security constraints to model the impact of unexpected line faults when planning a PSPS. This SC-OPS model enables, for the first time, the exploration of a wide range of trade-offs between both wildfire risk and pre- and post-contingency load shedding while designing PSPS plans, providing useful insights for utilities and policy makers considering different approaches to PSPS.We demonstrate the efficacy of our model using the EPRI 39-bus test system as a case study. The results highlight the potential risks of not considering security constraints when planning PSPS and show that incorporating security constraints into the PSPS design process improves the resilience of current PSPS plans.

This paper presents PowerModelsADA, an open-source framework for solving Optimal Power Flow (OPF) problems using Alternating Distributed Algorithms (ADA). PowerModelsADA provides a framework to test, verify, and benchmark both existing and new ADAs. This paper demonstrates use cases for PowerModelsADA and validates its implementation with multiple OPF formulations., Comment: This work has been submitted to the IEEE for possible publication

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., Comment: 31 pages, 22 figures

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.

We propose a quantum annealing protocol that more effectively probes the dynamics of a single qubit on D-Wave's quantum annealing hardware. This protocol uses D-Wave's h-gain schedule functionality, which allows the rapid quenching of the longitudinal magnetic field at arbitrary points during the anneal. This features enables us to distinguish between open and closed system dynamics as well as the presence or absence of longitudinal magnetic field noise. We show that both thermal and magnetic field fluctuations are key sources of noise that need to be included in an open quantum system model to reproduce the output statistics of the hardware., Comment: 10 pages, 7 figures

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.

As the variety of commercially available quantum computers continues to increase so does the need for tools that can characterize, verify and validate these computers. This work explores using quantum state tomography for characterizing the performance of individual qubits and develops a vector field visualization for presentation of the results. The proposed protocol is demonstrated in simulation and on quantum computing hardware developed by IBM. The results identify qubit performance features that are not reflected in the standard models of this hardware, indicating opportunities to improve the accuracy of these models. The proposed qubit evaluation protocol is provided as free open-source software to streamline the task of replicating the process on other quantum computing devices., Comment: 6 (+1 reference) pages, 13 figures

The prioritization of restoration actions after large power system outages plays a key role in how quickly power can be restored. It has been shown that fast and intuitive heuristics for restoration prioritization most often result in low-quality restoration plans. Meanwhile, mathematical optimization tools that find high-quality restoration plans are too slow to be applied to restoration planning problems of practical interest. This work makes a significant step in closing this quality vs compute time gap by proposing the Recursive Restoration Refinement heuristic for power system restoration. This heuristic is shown to produce near-optimal restoration plans up to 1,000 times faster than other state-of-the-art solution methods on a range of test cases with up to 500 buses and 700 damaged components. The potential impact of this new heuristic is demonstrated by a preliminary analysis of the key features of high-quality restoration plans. The recursive restoration refinement algorithm and other methods explored in this work have been made available as part of the open-source software package, PowerModelsRestoration, to support ongoing research in power restoration algorithms.

In recent years, the quantum computing community has seen an explosion of novel methods to implement non-trivial quantum computations on near-term hardware. An important direction of research has been to decompose an arbitrary entangled state, represented as a unitary, into a quantum circuit, that is, a sequence of gates supported by a quantum processor. It has been well known that circuits with longer decompositions and more entangling multi-qubit gates are error-prone for the current noisy, intermediate-scale quantum devices. To this end, there has been a significant interest to develop heuristic-based methods to discover compact circuits. We contribute to this effort by proposing QuantumCircuitOpt (QCOpt), a novel open-source framework which implements mathematical optimization formulations and algorithms for decomposing arbitrary unitary gates into a sequence of hardware-native gates. A core innovation of QCOpt is that it provides optimality guarantees on the quantum circuits that it produces. In particular, we show that QCOpt can find up to 57% reduction in the number of necessary gates on circuits with up to four qubits, and in run times less than a few minutes on commodity computing hardware. We also validate the efficacy of QCOpt as a tool for quantum circuit design in comparison with a naive brute-force enumeration algorithm. We also show how the QCOpt package can be adapted to various built-in types of native gate sets, based on different hardware platforms like those produced by IBM, Rigetti and Google. We hope this package will facilitate further algorithmic exploration for quantum processor designers, as well as quantum physicists.

Quantum Annealing (QA) was originally intended for accelerating the solution of combinatorial optimization tasks that have natural encodings as Ising models. However, recent experiments on QA hardware platforms have demonstrated that, in the operating regime corresponding to weak interactions, the QA hardware behaves like a noisy Gibbs sampler at a hardware-specific effective temperature. This work builds on those insights and identifies a class of small hardware-native Ising models that are robust to noise effects and proposes a procedure for executing these models on QA hardware to maximize Gibbs sampling performance. Experimental results indicate that the proposed protocol results in high-quality Gibbs samples from a hardware-specific effective temperature. Furthermore, we show that this effective temperature can be adjusted by modulating the annealing time and energy scale. The procedure proposed in this work provides an approach to using QA hardware for Ising model sampling presenting potential new opportunities for applications in machine learning and physics simulation.

Recent increases in gas-fired power generation have engendered increased interdependencies between natural gas and power transmission systems. These interdependencies have amplified existing vulnerabilities to 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 1,191 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.

As a variety of quantum computing models and platforms become available, methods for assessing and comparing the performance of these devices are of increasing interest and importance. Despite being built of the same fundamental computational unit, radically different approaches have emerged for characterizing the performance of qubits in gate-based and quantum annealing computers, limiting and complicating consistent cross-platform comparisons. To fill this gap, this work proposes a single-qubit protocol (Q-RBPN) for measuring some basic performance characteristics of individual qubits in both models of quantum computation. The proposed protocol scales to large quantum computers with thousands of qubits and provides insights into the distribution of qubit properties within a particular hardware device and across families of devices. The efficacy of the Q-RBPN protocol is demonstrated through the analysis of more than 300 gate-based qubits spanning eighteen machines and 2000 annealing-based qubits from one machine, revealing some unexpected differences in qubit performance. Overall, the proposed Q-RBPN protocol provides a new platform-agnostic tool for assessing the performance of a wide range of emerging quantum computing devices., Comment: 10 pages, 8 figures, 1 table

As a wide variety of quantum computing platforms become available, methods for assessing and comparing the performance of these devices are of increasing interest and importance. Inspired by the success of single-qubit error rate computations for tracking the progress of gate-based quantum computers, this work proposes a Quantum Annealing Single-qubit Assessment (QASA) protocol for quantifying the performance of individual qubits in quantum annealing computers. The proposed protocol scales to large quantum annealers with thousands of qubits and provides unique insights into the distribution of qubit properties within a particular hardware device. The efficacy of the QASA protocol is demonstrated by analyzing the properties of a D-Wave 2000Q system, revealing unanticipated correlations in the qubit performance of that device. A study repeating the QASA protocol at different annealing times highlights how the method can be utilized to understand the impact of annealing parameters on qubit performance. Overall, the proposed QASA protocol provides a useful tool for assessing the performance of current and emerging quantum annealing devices.

Drawing independent samples from high-dimensional probability distributions represents the major computational bottleneck for modern algorithms, including powerful machine learning frameworks such as deep learning. The quest for discovering larger families of distributions for which sampling can be efficiently realized has inspired an exploration beyond established computing methods and turning to novel physical devices that leverage the principles of quantum computation. Quantum annealing embodies a promising computational paradigm that is intimately related to the complexity of energy landscapes in Gibbs distributions, which relate the probabilities of system states to the energies of these states. Here, we study the sampling properties of physical realizations of quantum annealers which are implemented through programmable lattices of superconducting flux qubits. Comprehensive statistical analysis of the data produced by these quantum machines shows that quantum annealers behave as samplers that generate independent configurations from low-temperature noisy Gibbs distributions. We show that the structure of the output distribution probes the intrinsic physical properties of the quantum device such as effective temperature of individual qubits and magnitude of local qubit noise, which result in a non-linear response function and spurious interactions that are absent in the hardware implementation. We anticipate that our methodology will find widespread use in characterization of future generations of quantum annealers and other emerging analog computing devices., Comment: 6 pages, 4 figures, with 36 pages of Supplementary Information

Nonlinear optimization problems are found at the heart of real-time operations of critical infrastructures. These problems are computationally challenging because they embed complex physical models that exhibit space-time dynamics. We propose modeling these problems as graph-structured optimization problems, and illustrate how their structure can be exploited at the modeling level (for parallelizing function/derivative computations) and at the solver level (for parallelizing linear algebra operations). Specifically, we present a restricted additive Schwarz scheme that enables flexible decomposition of complex graph structures within an interior-point algorithm. The proposed approach is implemented as a general-purpose nonlinear programming solver that we call MadNLP.jl; this Julia-based solver is interfaced to the graph-based modeling package Plasmo.jl. The efficiency of this framework is demonstrated via problems arising in transient gas network optimization and multi-period AC optimal power flow. We show that our framework accelerates the solution (compared to off-the-shelf tools) by over 300%; specifically, solution times are reduced from 72.36 sec to 23.84 sec for the gas problem and from 515.81 sec to 149.45 sec for the power flow problem.

As the use of renewable generation has increased, electric power systems have become increasingly reliant on natural gas-fired power plants as fast ramping sources for meeting fluctuating bulk power demands. This dependence has introduced new vulnerabilities to the power grid, including disruptions to gas transmission networks from natural and man-made disasters. To address the operational challenges arising from these disruptions, we consider the task of determining a feasible steady-state operating point for a damaged gas pipeline network while ensuring the maximal delivery of load. We formulate the mixed-integer nonconvex maximal load delivery (MLD) problem, which proves difficult to solve on large-scale networks. To address this challenge, we present a mixed-integer convex relaxation of the MLD problem and use it to determine bounds on the transport capacity of a gas pipeline system. To demonstrate the effectiveness of the relaxation, the exact and relaxed formulations are compared across a large number of randomized damage scenarios on nine natural gas pipeline network models ranging in size from 11 to 4197 junctions. A proof of concept application, which assumes network damage from a set of synthetically generated earthquakes, is also presented to demonstrate the utility of the proposed optimization-based capacity evaluation in the context of risk assessment for natural disasters. For all but the largest network, the relaxation-based method is found to be suitable for use in evaluating the impacts of multi-contingency network disruptions, often converging to the optimal solution of the relaxed formulation in less than ten seconds., Comment: Corrected alignment of histograms in Figure 2

We introduce a Lyapunov function for the dynamics of memristive circuits, and compare the effectiveness of memristors in minimizing the function to widely used optimization software. We study in particular three classes of problems which can be directly embedded in a circuit topology, and show that memristors effectively attempt at (quickly) extremizing these functionals., Comment: 18 pages, invited book chapter for A. Adamatzky's book "Alternative Computing"

Despite strong connections through shared application areas, research efforts on power market optimization (e.g., unit commitment) and power network optimization (e.g., optimal power flow) remain largely independent. A notable illustration of this is the treatment of power generation cost functions, where nonlinear network optimization has largely used polynomial representations and market optimization has adopted piecewise linear encodings. This work combines state-of-the-art results from both lines of research to understand the best mathematical formulations of the nonlinear AC optimal power flow problem with piecewise linear generation cost functions. An extensive numerical analysis of non-convex models, linear approximations, and convex relaxations across fifty-four realistic test cases illustrates that nonlinear optimization methods are surprisingly sensitive to the mathematical formulation of piecewise linear functions. The results indicate that a poor formulation choice can slow down algorithm performance by a factor of ten, increasing the runtime from seconds to minutes. These results provide valuable insights into the best formulations of nonlinear optimal power flow problems with piecewise linear cost functions, a important step towards building a new generation of energy markets that incorporate the nonlinear AC power flow model.

This paper proposes a simple and flexible storage model for use in a variety of multi-period optimal power flow problems. The proposed model is designed for research use in a broad assortment of contexts enabled by the following key features: (i) the model can represent the dynamics of an energy buffer at a wide range of scales, from residential battery storage to grid-scale pumped hydro; (ii) it is compatible with both balanced and unbalanced formulations of the power flow equations; (iii) convex relaxations and linear approximations to allow seamless integration of the proposed model into applications where convexity or linearity is required are developed; (iv) a minimalist and standardized data model is presented, to facilitate easy of use by the research community. The proposed model is validated using a proof-of-concept twenty-four hour storage scheduling task that demonstrates the value of the model's key features. An open-source implementation of the model is provided as part of the PowerModels and PowerModelsDistribution optimization toolboxes.

With the escalating frequency of extreme grid disturbances, such as natural disasters, comes an increasing need for efficient recovery plans. Algorithms for optimal power restoration play an important role in developing such plans, but also give rise to challenging mixed-integer nonlinear optimization problems, where tractable solution methods are not yet available. To assist in research on such solution methods, this work proposes PowerModelsRestoration, a flexible, open-source software framework for rapidly designing and testing power restoration algorithms. PowerModelsRestoration constructs a mathematical modeling layer for formalizing core restoration tasks that can be combined to develop complex workflows and high performance heuristics. The efficacy of the proposed framework is demonstrated by proof-of-concept studies on three established cases from the literature, focusing on single-phase positive sequence network models. The results demonstrate that PowerModelsRestoration reproduces the established literature, and for the first time provide an analysis of restoration with nonlinear power flow models, which have not been previously considered., Comment: LA-UR-19-29732

In this work we introduce PowerModelsDistribution, a free, open-source toolkit for distribution power network optimization, whose primary focus is establishing a baseline implementation of steady-state multi-conductor unbalanced distribution network optimization problems, which includes implementations of Power Flow and Optimal Power Flow problem types. Currently implemented power flow formulations for these problem types include AC (polar and rectangular), a second-order conic relaxation of the Branch Flow Model (BFM) and Bus Injection Model (BIM), a semi-definite relaxation of BFM, and several linear approximations, such as the simplified unbalanced BFM. The results of AC power flow have been validated against OpenDSS, an open-source "electric power distribution system simulator", using IEEE distribution test feeders (13, 34, 123 bus and LVTestCase), all parsed using a built-in OpenDSS parser. This includes support for standard distribution system components as well as novel resource models such as generic energy storage (multi-period) and photovoltaic systems, with the intention to add support for additional components in the future.

The recent emergence of novel computational devices, such as quantum computers, coherent Ising machines, and digital annealers presents new opportunities for hardware-accelerated hybrid optimization algorithms. Unfortunately, demonstrations of unquestionable performance gains leveraging novel hardware platforms have faced significant obstacles. One key challenge is understanding the algorithmic properties that distinguish such devices from established optimization approaches. Through the careful design of contrived optimization tasks, this work provides new insights into the computation properties of quantum annealing and suggests that this model has the potential to quickly identify the structure of high-quality solutions. A meticulous comparison to a variety of algorithms spanning both complete and local search suggests that quantum annealing's performance on the proposed optimization tasks is distinct. This result provides new insights into the time scales and types of optimization problems where quantum annealing has the potential to provide notable performance gains over established optimization algorithms and suggests the development of hybrid algorithms that combine the best features of quantum annealing and state-of-the-art classical approaches., Comment: minor revisions to the text

The advent of efficient interior point optimization methods has enabled the tractable solution of large-scale linear and nonlinear programming (NLP) problems. A prominent example of such a method is seen in Ipopt, a widely-used, open-source nonlinear optimization solver. Algorithmically, Ipopt depends on the use of a sparse symmetric indefinite linear system solver, which is heavily employed within the optimization of barrier subproblems. As such, the performance and reliability of Ipopt is dependent on the properties of the selected linear solver. Inspired by a trend in mathematical programming toward solving larger and more challenging NLPs, this work explores two core questions: first, how does the scalability of available linear solvers, many of which exhibit shared-memory parallelism, impact Ipopt performance; and second, does the best linear solver vary across NLP problem classes, including nonlinear network problems and problems constrained by partial differential equations? To better understand these properties, this paper first describes available open- and closed-source, serial and parallel linear solvers and the fundamental differences among them. Second, it introduces the coupling of a new open-source linear solver capable of heterogeneous parallelism over multi-core central processing units and graphics processing units. Third, it compares linear solvers using a variety of mathematical programming problems, including standard test problems for linear and nonlinear optimization, optimal power flow benchmarks, and scalable two- and three-dimensional partial differential equation and optimal control problems. Finally, linear solver recommendations are provided to maximize Ipopt performance across different application domains.

In recent years, the power systems research community has seen an explosion of novel methods for formulating the AC power flow equations. Consequently, benchmarking studies using the seminal AC Optimal Power Flow (AC-OPF) problem have emerged as the primary method for evaluating these emerging methods. However, it is often difficult to directly compare these studies due to subtle differences in the AC-OPF problem formulation as well as the network, generation, and loading data that are used for evaluation. To help address these challenges, this IEEE PES Task Force report proposes a standardized AC-OPF mathematical formulation and the PGLib-OPF networks for benchmarking AC-OPF algorithms. A motivating study demonstrates some limitations of the established network datasets in the context of benchmarking AC-OPF algorithms and a validation study demonstrates the efficacy of using the PGLib-OPF networks for this purpose. In the interest of scientific discourse and future additions, the PGLib-OPF benchmark library is open-access and all the of network data is provided under a creative commons license.

This report describes eighteen projects that explored how commercial cloud computing services can be utilized for scientific computation at national laboratories. These demonstrations ranged from deploying proprietary software in a cloud environment to leveraging established cloud-based analytics workflows for processing scientific datasets. By and large, the projects were successful and collectively they suggest that cloud computing can be a valuable computational resource for scientific computation at national laboratories.

This article develops a strengthened convex quadratic convex (QC) relaxation of the AC Optimal Power Flow (AC-OPF) problem and presents an optimization-based bound-tightening (OBBT) algorithm to compute tight, feasible bounds on the voltage magnitude variables for each bus and the phase angle difference variables for each branch in the network. Theoretical properties of the strengthened QC relaxation that show its dominance over the other variants of the QC relaxation studied in the literature are also derived. The effectiveness of the strengthened QC relaxation is corroborated via extensive numerical results on benchmark AC-OPF test networks. In particular, the results demonstrate that the proposed relaxation consistently provides the tightest variable bounds and optimality gaps with negligible impacts on runtime performance.

Convex relaxations of the AC power flow equations have attracted significant interest in the power systems research community in recent years. The following collection of video lectures provides a brief introduction to the mathematics of AC power systems, continuous nonlinear optimization, and relaxations of the power flow equations. The aim of the videos is to provide the high level ideas of convex relaxations and their applications in power system optimization, and could be used as a starting point for researchers who want to study, use or develop new convex relaxations for use in their own research. The videos do not aim to provide an in-depth tutorial about specific convex relaxations, but rather focus on ideas that are common to all convex relaxations of the AC optimal power flow problem.

Nonconvex mixed-integer nonlinear programs (MINLPs) represent a challenging class of optimization problems that often arise in engineering and scientific applications. Because of nonconvexities, these programs are typically solved with global optimization algorithms, which have limited scalability. However, nonlinear branch-and-bound has recently been shown to be an effective heuristic for quickly finding high-quality solutions to large-scale nonconvex MINLPs, such as those arising in infrastructure network optimization. This work proposes Juniper, a Julia-based open-source solver for nonlinear branch-and-bound. Leveraging the high-level Julia programming language makes it easy to modify Juniper's algorithm and explore extensions, such as branching heuristics, feasibility pumps, and parallelization. Detailed numerical experiments demonstrate that the initial release of Juniper is comparable with other nonlinear branch-and-bound solvers, such as Bonmin, Minotaur, and Knitro, illustrating that Juniper provides a strong foundation for further exploration in utilizing nonlinear branch-and-bound algorithms as heuristics for nonconvex MINLPs., Comment: CPAIOR 2018

As quantum computers become available to the general public, the need has arisen to train a cohort of quantum programmers, many of whom have been developing classical computer programs for most of their careers. While currently available quantum computers have less than 100 qubits, quantum computing hardware is widely expected to grow in terms of qubit count, quality, and connectivity. This review aims to explain the principles of quantum programming, which are quite different from classical programming, with straightforward algebra that makes understanding of the underlying fascinating quantum mechanical principles optional. We give an introduction to quantum computing algorithms and their implementation on real quantum hardware. We survey 20 different quantum algorithms, attempting to describe each in a succinct and self-contained fashion. We show how these algorithms can be implemented on IBM's quantum computer, and in each case, we discuss the results of the implementation with respect to differences between the simulator and the actual hardware runs. This article introduces computer scientists, physicists, and engineers to quantum algorithms and provides a blueprint for their implementations., Comment: ACM Transactions on Quantum Computing

In recent years, the power system research community has seen an explosion of novel methods for formulating and solving power network optimization problems. These emerging methods range from new power flow approximations, which go beyond the traditional DC power flow by capturing reactive power, to convex relaxations, which provide solution quality and runtime performance guarantees. Unfortunately, the sophistication of these emerging methods often presents a significant barrier to evaluating them on a wide variety of power system optimization applications. To address this issue, this work proposes PowerModels, an open-source platform for comparing power flow formulations. From its inception, PowerModels was designed to streamline the process of evaluating different power flow formulations on shared optimization problem specifications. This work provides a brief introduction to the design of PowerModels, validates its implementation, and demonstrates its effectiveness with a proof-of-concept study analyzing five different formulations of the Optimal Power Flow problem.

This work considers the task of finding an AC-feasible operating point of a severely damaged transmission network while ensuring that a maximal amount of active power loads can be delivered. This AC Maximal Load Delivery (AC-MLD) task is a nonconvex nonlinear optimization problem that is incredibly challenging to solve on large-scale transmission system datasets. This work demonstrates that convex relaxations of the AC-MLD problem provide a reliable and scalable method for finding high-quality bounds on the amount of active power that can be delivered in the AC-MLD problem. To demonstrate their effectiveness, the solution methods proposed in this work are rigorously evaluated on 1000 N-k scenarios on seven power networks ranging in size from 70 to 6000 buses. The most effective relaxation of the AC-MLD problem converges in less than 20 seconds on commodity computing hardware for all 7000 of the scenarios considered., Comment: The problem considered in this work is also known as AC Minimal Load-Shedding

The recent emergence of novel computational devices, such as adiabatic quantum computers, CMOS annealers, and optical parametric oscillators, present new opportunities for hybrid-optimization algorithms that are hardware accelerated by these devices. In this work, we propose the idea of an Ising processing unit as a computational abstraction for reasoning about these emerging devices. The challenges involved in using and benchmarking these devices are presented and commercial mixed integer programming solvers are proposed as a valuable tool for the validation of these disparate hardware platforms. The proposed validation methodology is demonstrated on a D-Wave 2X adiabatic quantum computer, one example of an Ising processing unit. The computational results demonstrate that the D-Wave hardware consistently produces high-quality solutions and suggests that as IPU technology matures it could become a valuable co-processor in hybrid-optimization algorithms.

This paper considers a probabilistic generalization of the $N$-$k$ failure-identification problem in power transmission networks, where the probability of failure of each component in the network is known a priori and the goal of the problem is to find a set of $k$ components that maximizes disruption to the system loads weighted by the probability of simultaneous failure of the $k$ components. The resulting problem is formulated as a bilevel mixed-integer nonlinear program. Convex relaxations, linear approximations, and heuristics are developed to obtain feasible solutions that are close to the optimum. A general cutting-plane algorithm is proposed to solve the convex relaxation and linear approximations of the $N$-$k$ problem. Extensive numerical results corroborate the effectiveness of the proposed algorithms on small-, medium-, and large-scale test instances, the test instances include the IEEE 14-bus system, the IEEE single-area and three-area RTS96 systems, the IEEE 118-bus system, the WECC 240-bus test system, the 1354-bus PEGASE system, and the 2383-bus Polish winter-peak test system., Comment: 17 pages, Networks, 2018