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Register a new userOptimizing Parameterized Quantum Circuits with Free-Axis Selection
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Parameterized quantum circuits (PQCs), which are essential for variational quantum algorithms, have conventionally been optimized by parameterized rotational angles of single-qubit gates around predetermined set of axes. We propose a new method to optimize a PQC by continuous parameterization of both the angles and the axes of its single-qubit rotations. The method is based on the observation that when rotational angles are fixed, optimal axes of rotations can be computed by solving a system of linear equations whose coefficients can be determined from the PQC with small computational overhead. The method can be further simplified to select axes freely from continuous parameters with rotational angles fixed to $pi$. We show the simplified free-axis selection method has better expressibility against other structural optimization methods when measured with Kullback-Leibler (KL) divergence. We also demonstrate PQCs with free-axis selection are more effective to search the ground states of Heisenberg models and molecular Hamiltonians. Because free-axis selection allows designing PQCs without specifying their single-qubit rotational axes, it may significantly improve the handiness of PQCs.
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Parameterized quantum circuits (PQCs) have been broadly used as a hybrid quantum-classical machine learning scheme to accomplish generative tasks. However, whether PQCs have better expressive power than classical generative neural networks, such as restricted or deep Boltzmann machines, remains an open issue. In this paper, we prove that PQCs with a simple structure already outperform any classical neural network for generative tasks, unless the polynomial hierarchy collapses. Our proof builds on known results from tensor networks and quantum circuits (in particular, instantaneous quantum polynomial circuits). In addition, PQCs equipped with ancillary qubits for post-selection have even stronger expressive power than those without post-selection. We employ them as an application for Bayesian learning, since it is possible to learn prior probabilities rather than assuming they are known. We expect that it will find many more applications in semi-supervised learning where prior distributions are normally assumed to be unknown. Lastly, we conduct several numerical experiments using the Rigetti Forest platform to demonstrate the performance of the proposed Bayesian quantum circuit.
Machine learning is seen as a promising application of quantum computation. For near-term noisy intermediate-scale quantum (NISQ) devices, parametrized quantum circuits (PQCs) have been proposed as machine learning models due to their robustness and ease of implementation. However, the cost function is normally calculated classically from repeated measurement outcomes, such that it is no longer encoded in a quantum state. This prevents the value from being directly manipulated by a quantum computer. To solve this problem, we give a routine to embed the cost function for machine learning into a quantum circuit, which accepts a training dataset encoded in superposition or an easily preparable mixed state. We also demonstrate the ability to evaluate the gradient of the encoded cost function in a quantum state.
Very little is known about the cost landscape for parametrized Quantum Circuits (PQCs). Nevertheless, PQCs are employed in Quantum Neural Networks and Variational Quantum Algorithms, which may allow for near-term quantum advantage. Such applications require good optimizers to train PQCs. Recent works have focused on quantum-aware optimizers specifically tailored for PQCs. However, ignorance of the cost landscape could hinder progress towards such optimizers. In this work, we analytically prove two results for PQCs: (1) We find an exponentially large symmetry in PQCs, yielding an exponentially large degeneracy of the minima in the cost landscape. (2) We show that noise (specifically non-unital noise) can break these symmetries and lift the degeneracy of minima, making many of them local minima instead of global minima. Based on these results, we introduce an optimization method called Symmetry-based Minima Hopping (SYMH), which exploits the underlying symmetries in PQCs to hop between local minima in the cost landscape. The versatility of SYMH allows it to be combined with local optimizers (e.g., gradient descent) with minimal overhead. Our numerical simulations show that SYMH improves the overall optimizer performance.
Quantum Machine Learning (QML) is considered to be one of the most promising applications of near term quantum devices. However, the optimization of quantum machine learning models presents numerous challenges arising from the imperfections of hardware and the fundamental obstacles in navigating an exponentially scaling Hilbert space. In this work, we evaluate the potential of contemporary methods in deep reinforcement learning to augment gradient based optimization routines in quantum variational circuits. We find that reinforcement learning augmented optimizers consistently outperform gradient descent in noisy environments. All code and pretrained weights are available to replicate the results or deploy the models at https://github.com/lockwo/rl_qvc_opt.
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