VQE method: a short survey and recent developments

The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such as quantum phase estimation (QPE) because fully quantum algorithms require quantum hardware that will not be accessible in the near future. VQE has been successfully applied to solve the electronic Schrödinger equation for a variety of small molecules. However, the scalability of this method is limited by two factors: the complexity of the quantum circuits and the complexity of the classical optimization problem. Both of these factors are affected by the choice of the variational ansatz used to represent the trial wave function. Hence, the construction of an efficient ansatz is an active area of research. Put another way, modern quantum computers are not capable of executing deep quantum circuits produced by using currently available ansatzes for problems that map onto more than several qubits. In this review, we present recent developments in the field of designing efficient ansatzes that fall into two categories—chemistry–inspired and hardware–efficient—that produce quantum circuits that are easier to run on modern hardware. We discuss the shortfalls of ansatzes originally formulated for VQE simulations, how they are addressed in more sophisticated methods, and the potential ways for further improvements.

Variational Quantum Optimization with Multi-Basis Encodings

Despite extensive research efforts, few quantum algorithms for classical optimization demonstrate realizable quantum advantage. The utility of many quantum algorithms is limited by high requisite circuit depth and nonconvex optimization landscapes. We tackle these challenges by introducing a new variational quantum algorithm that utilizes multi-basis graph encodings and nonlinear activation functions. Our technique results in increased optimization performance, a factor of two increase in effective quantum resources, and a quadratic reduction in measurement complexity. While the classical simulation of many qubits with traditional quantum formalism is impossible due to its exponential scaling, we mitigate this limitation with exact circuit representations using factorized tensor rings. In particular, the shallow circuits permitted by our technique, combined with efficient factorized tensor-based simulation, enable us to successfully optimize the MaxCut of the nonlocal 512-vertex DIMACS library graphs on a single GPU. By improving the performance of quantum optimization algorithms while requiring fewer quantum resources and utilizing shallower, more error-resistant circuits, we offer tangible progress for variational quantum optimization.

Inverse homogenization using the topological derivative

PurposeThe purpose of this study is to solve the inverse homogenization problem, or so-called material design problem, using the topological derivative concept.Design/methodology/approachThe optimal topology is obtained through a relaxed formulation of the problem by replacing the characteristic function with a continuous design variable, so-called density variable. The constitutive tensor is then parametrized with the density variable through an analytical interpolation scheme that is based on the topological derivative concept. The intermediate values that may appear in the optimal topologies are removed by penalizing the perimeter functional.FindingsThe optimization process benefits from the intermediate values that provide the proposed method reaching to solutions that the topological derivative had not been able to find before. In addition, the presented theory opens the path to propose a new framework of research where the topological derivative uses classical optimization algorithms.Originality/valueThe proposed methodology allows us to use the topological derivative concept for solving the inverse homogenization problem and to fulfil the optimality conditions of the problem with the use of classical optimization algorithms. The authors solved several material design examples through a projected gradient algorithm to show the advantages of the proposed method.

Approximately Optimal Fixed-Structure Controllers Using Neural Networks

Fixed structure controllers (such as proportional-integral-derivative controllers) are used extensively in industry. Finding a practical and versatile method to tune these controllers, particularly with imprecise process models and limited online computational resources, is an industrially relevant problem which could improve the efficiency of many plants. In this paper, we present two flexible neural network-based approaches capable of tuning any fixed structure controller for any control objective and process model and compare their advantages and disadvantages. The first approach is derived from supervised learning and classical optimization techniques, while the second approach applies techniques used in deep reinforcement learning. Both approaches incorporate model uncertainties when selecting controller parameters, reducing the need for costly experiments to precisely estimate model parameters in a plant. Both methods are also computationally efficient online, enabling their widespread usage.

Nonlinear Quantum Optimization Algorithms via Efficient Ising Model Encodings

Despite extensive research efforts, few quantum algorithms for classical optimization demonstrate realizable advantage. The utility of many quantum algorithms is limited by high requisite circuit depth and nonconvex optimization landscapes. We tackle these challenges to quantum advantage with two new variational quantum algorithms, which utilize multi-basis graph encodings and nonlinear activation functions to outperform existing methods with remarkably shallow quantum circuits. Both algorithms provide a polynomial reduction in measurement complexity and either a factor of two speedup a factor of two reduction in quantum resources. Typically, the classical simulation of such algorithms with many qubits is impossible due to the exponential scaling of traditional quantum formalism and the limitations of tensor networks. Nonetheless, the shallow circuits and moderate entanglement of our algorithms, combined with efficient tensor method-based simulation, enable us to successfully optimize the MaxCut of high-connectivity global graphs with up to 512 nodes (qubits) on a single GPU.

Metaheuristics and Transmission Expansion Planning: A Comparative Case Study

Transmission expansion planning (TEP), the determination of new transmission lines to be added to an existing power network, is a key element in power system planning. Using classical optimization to define the most suitable reinforcements is the most desirable alternative. However, the extent of the under-study problems is growing, because of the uncertainties introduced by renewable generation or electric vehicles (EVs) and the larger sizes under consideration given the trends for higher renewable shares and stronger market integration. This means that classical optimization, even using efficient techniques, such as stochastic decomposition, can have issues when solving large-sized problems. This is compounded by the fact that, in many cases, it is necessary to solve a large number of instances of a problem in order to incorporate further considerations. Thus, it can be interesting to resort to metaheuristics, which can offer quick solutions at the expense of an optimality guarantee. Metaheuristics can even be combined with classical optimization to try to extract the best of both worlds. There is a vast literature that tests individual metaheuristics on specific case studies, but wide comparisons are missing. In this paper, a genetic algorithm (GA), orthogonal crossover based differential evolution (OXDE), grey wolf optimizer (GWO), moth–flame optimization (MFO), exchange market algorithm (EMA), sine cosine algorithm (SCA) optimization and imperialistic competitive algorithm (ICA) are tested and compared. The algorithms are applied to the standard test systems of IEEE 24, and 118 buses. Results indicate that, although all metaheuristics are effective, they have diverging profiles in terms of computational time and finding optimal plans for TEP.

Computation

This chapter introduces the basic building blocks of quantum computing and a variety of specific algorithms. It begins with a brief review of classical computing and discusses how its key elements – bits, gates, circuits – carry over to the quantum realm. It highlights crucial differences to the classical case, such as the impossibility of copying a qubit. The quantum circuit model is shown to be universal, and a peculiar variant of quantum computing, based on measurements only, is illustrated. That a quantum computer can perform some calculations more efficiently than a classical computer, at least in principle, is exemplified with the Deutsch-Jozsa algorithm. Other examples covered in this chapter are the variational quantum eigensolver, which can be applied to the study of molecules and classical optimization problems; quantum simulation; and entanglement-assisted metrology.