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arXiv:1911.11071 · Proceedings of the AAAI Conference on Artificial Intelligence

Learning to Optimize Variational Quantum Circuits to Solve Combinatorial Problems

Sami Khairy, Ruslan Shaydulin, Lukasz Cincio, Yuri Alexeev, Prasanna Balaprakash

Published Apr 3, 2020• 117 citations
arXivHTMLPDF

Abstract

Quantum computing is a computational paradigm with the potential to outperform classical methods for a variety of problems. Proposed recently, the Quantum Approximate Optimization Algorithm (QAOA) is considered as one of the leading candidates for demonstrating quantum advantage in the near term. QAOA is a variational hybrid quantum-classical algorithm for approximately solving combinatorial optimization problems. The quality of the solution obtained by QAOA for a given problem instance depends on the performance of the classical optimizer used to optimize the variational parameters. In this paper, we formulate the problem of finding optimal QAOA parameters as a learning task in which the knowledge gained from solving training instances can be leveraged to find high-quality solutions for unseen test instances. To this end, we develop two machine-learning-based approaches. Our first approach adopts a reinforcement learning (RL) framework to learn a policy network to optimize QAOA circuits. Our second approach adopts a kernel density estimation (KDE) technique to learn a generative model of optimal QAOA parameters. In both approaches, the training procedure is performed on small-sized problem instances that can be simulated on a classical computer; yet the learned RL policy and the generative model can be used to efficiently solve larger problems. Extensive simulations using the IBM Qiskit Aer quantum circuit simulator demonstrate that our proposed RL- and KDE-based approaches reduce the optimality gap by factors up to 30.15 when compared with other commonly used off-the-shelf optimizers.

DOI
10.1609/aaai.v34i03.5616

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Quantum computing is a computational paradigm with the potential to outperform classical methods for a variety of problems. Proposed recently, the Quantum Approximate Optimization Algorithm (QAOA) is considered as one of the leading candidates for demonstrating quantum advantage in the near term. QAOA is a variational hybrid quantum-classical algorithm for approximately solving combinatorial optimization problems. The quality of the solution obtained by QAOA for a given problem instance depends on the performance of the classical optimizer used to optimize the variational parameters. In this paper, we formulate the problem of finding optimal QAOA parameters as a learning task in which the knowledge gained from solving training instances can be leveraged to find high-quality solutions for unseen test instances. To this end, we develop two machine-learning-based approaches. Our first approach adopts a reinforcement learning (RL) framework to learn a policy network to optimize QAOA circuits. Our second approach adopts a kernel density estimation (KDE) technique to learn a generative model of optimal QAOA parameters. In both approaches, the training procedure is performed on small-sized problem instances that can be simulated on a classical computer; yet the learned RL policy and the generative model can be used to efficiently solve larger problems. Extensive simulations using the IBM Qiskit Aer quantum circuit simulator demonstrate that our proposed RL- and KDE-based approaches reduce the optimality gap by factors up to 30.15 when compared with other commonly used off-the-shelf optimizers.
Quantum computing exploits basic quantum phenomena such as state superposition and entanglement to perform computations. The Quantum Approximate Optimization Algorithm (QAOA) is arguably one of the leading quantum algorithms that can outperform classical state-of-the-art methods in the near term. QAOA is a hybrid quantum-classical algorithm that combines a parameterized quantum state evolution with a classical optimization routine to approximately solve combinatorial problems. The quality of the solution obtained by QAOA within a fixed budget of calls to the quantum computer depends on the performance of the classical optimization routine used to optimize the variational parameters. In this work, we propose an approach based on reinforcement learning (RL) to train a policy network that can be used to quickly find high-quality variational parameters for unseen combinatorial problem instances. The RL agent is trained on small problem instances which can be simulated on a classical computer, yet the learned RL policy is generalizable and can be used to efficiently solve larger instances. Extensive simulations using the IBM Qiskit Aer quantum circuit simulator demonstrate that our trained RL policy can reduce the optimality gap by a factor up to 8.61 compared with other off-the-shelf optimizers tested.
The Quantum Approximate Optimization Algorithm (QAOA) and its variants are leading algorithms to help solve challenging combinatorial optimization problems. QAOA maps these problems to Ising Hamiltonians such that their ground state is the desired solution. Candidate solutions are then drawn from a variational quantum circuit. The performance of QAOA hinges on a set of variational angles. However, finding good angles is an instance-specific and computationally expensive non-convex classical optimization task. Here, we learn the mapping from the problem instance to high-quality QAOA angles. Our learned models replace the per-instance optimization, that we call the solver, with a single forward pass that is several orders of magnitude faster than the solver with a near identical quality. Our models further generalize to unseen topologies such as Barabási-Albert and 2D grid graphs. Experiments on quantum hardware confirm that QAOA samples with angles produced by our open-source models are indistinguishable from solver angles. Crucially, models sensitive to the topology of the problem instance increase the quality of the QAOA angles. Our work amortizes a major bottleneck in QAOA by an up-front data generation and training cost. Importantly, this cost can be amortized over time in settings where many similar problems are optimized on a regular basis, as is often the case in applications for industry.
In recent years, variational quantum algorithms such as the Quantum Approximation Optimization Algorithm (QAOA) have gained popularity as they provide the hope of using NISQ devices to tackle hard combinatorial optimization problems. It is, however, known that at low depth, certain locality constraints of QAOA limit its performance. To go beyond these limitations, a non-local variant of QAOA, namely recursive QAOA (RQAOA), was proposed to improve the quality of approximate solutions. The RQAOA has been studied comparatively less than QAOA, and it is less understood, for instance, for what family of instances it may fail to provide high-quality solutions. However, as we are tackling NP-hard problems (specifically, the Ising spin model), it is expected that RQAOA does fail, raising the question of designing even better quantum algorithms for combinatorial optimization. In this spirit, we identify and analyze cases where (depth-1) RQAOA fails and, based on this, propose a reinforcement learning enhanced RQAOA variant (RL-RQAOA) that improves upon RQAOA. We show that the performance of RL-RQAOA improves over RQAOA: RL-RQAOA is strictly better on these identified instances where RQAOA underperforms and is similarly performing on instances where RQAOA is near-optimal. Our work exemplifies the potentially beneficial synergy between reinforcement learning and quantum (inspired) optimization in the design of new, even better heuristics for complex problems.
Abstract Quantum computing has recently emerged as a promising approach to solve complex combinatorial optimization problems beyond the reach of classical algorithms. This study explores the integration of machine learning techniques with the Quantum Approximate Optimization Algorithm (QAOA) to improve its effectiveness in graph-based optimization tasks, with a particular focus on the Max-Cut problem. We propose a hybrid framework that utilizes a neural network to dynamically adjust QAOA parameters, leveraging historical data to enhance performance. We conduct a comparative analysis between the machine learning-augmented QAOA and a traditional QAOA implementation. Through extensive simulations on random graphs with up to 2000 nodes, the machine learning-enhanced QAOA demonstrates superior performance, reducing training loss significantly and achieving a final loss of approximately 3.112 x 10-33 compared to 2.34 x 10-15 for the standard QAOA. Statistical analysis reveals a moderate negative correlation between training epochs and loss, highlighting the benefits of continued training while acknowledging other influencing factors. This research highlights the potential of combining quantum algorithms with machine learning to solve real-world optimization problems, offering promising applications in fields such as logistics, finance, and network design.
Hybrid Quantum–Classical Optimization combines the advantages of quantum computing and classical optimization to address complex combinatorial optimization problems. The Quantum Approximate Optimization Algorithm (QAOA), as an outstanding Variational Quantum Algorithm (VQA), shows great potential in solving combinatorial optimization problems. Classical optimization methods play a crucial role in tuning the parameters of quantum circuits, affecting the algorithm’s convergence speed and solution quality. This paper designs and simulates QAOA circuits based on the Qiskit framework, focusing on comparing the performance of three classical optimizers— Adaptive Moment Estimation (Adam), Constrained Optimization BY Linear Approximations (COBYLA), and Simultaneous Perturbation Stochastic Approximation (SPSA)—in parameter optimization. Adam and SPSA perform more stably in deeper circuits, making them suitable for high-dimensional parameter spaces, whereas COBYLA tends to get trapped in local optima and exhibits greater fluctuations under limited iterations. The results further highlight the importance of classical optimizer selection and hyperparameter tuning in enhancing the performance of hybrid quantum–classical optimization algorithms.
The Quantum Approximate Optimization Algorithm (QAOA) is a promising approach for programming a near-term gate-based hybrid quantum computer to find good approximate solutions of hard combinatorial problems. However, little is currently know about the capabilities of QAOA, or of the difficulty of the requisite parameters optimization. Here, we study the performance of QAOA on the MaxCut combinatorial optimization problem, optimizing the quantum circuits on a classical computer using automatic differentiation and stochastic gradient descent, using QuantumFlow, a quantum circuit simulator implemented with TensorFlow. We find that we can amortize the training cost by optimizing on batches of problems instances; that QAOA can exceed the performance of the classical polynomial time Goemans-Williamson algorithm with modest circuit depth, and that performance with fixed circuit depth is insensitive to problem size. Moreover, MaxCut QAOA can be efficiently implemented on a gate-based quantum computer with limited qubit connectivity, using a qubit swap network. These observations support the prospects that QAOA will be an effective method for solving interesting problems on near-term quantum computers.