We benchmark the accuracy of a variational quantum eigensolver based on a finite-depth quantum circuit encoding ground state of local Hamiltonians. We show that in gapped phases, the accuracy improves exponentially with the depth of the circuit. When trying to encode the ground state of conformally invariant Hamiltonians, we observe two regimes. A finite-depth regime, where the accuracy improves slowly with the number of layers, and a finite-size regime where it improves again exponentially. The cross-over between the two regimes happens at a critical number of layers whose value increases linearly with the size of the system. We discuss the implication of these observations in the context of comparing different variational ansatz and their effectiveness in describing critical ground states.
The variational quantum eigensolver has been proposed as a low-depth quantum circuit that can be employed to examine strongly correlated systems on today's noisy intermediate-scale quantum computers. We examine details associated with the factorized form of the unitary coupled-cluster variant of this algorithm. We apply it to a simple strongly correlated condensed-matter system with nontrivial behavior---the four-site Hubbard model at half filling. This work show some of the subtle issues one needs to take into account when applying this algorithm in practice, especially to condensed-matter sy…
We extend the ability of unitary quantum circuits by interfacing it with classical autoregressive neural networks. The combined model parametrizes a variational density matrix as a classical mixture of quantum pure states, where the autoregressive network generates bitstring samples as input states to the quantum circuit. We devise an efficient variational algorithm to jointly optimize the classical neural network and the quantum circuit for quantum statistical mechanics problems. One can obtain thermal observables such as the variational free energy, entropy, and specific heat. As a by produc…
We propose a novel algorithm for fast training of variational classifiers by processing multiple samples parallelly. The algorithm can be adapted for any ansatz used in the variational circuit. The presented algorithm utilizes qRAM and other quantum circuits in the forward pass. Further, instead of the usual practice of computing the loss classically, we calculate the loss using a Swap-test circuit. The algorithm thus brings down the training cost of a variational classifier to O(logN)from the usual O(N)when training on a dataset of N samples. Although we discuss only binary classification in …
Several quantities important in condensed matter physics, quantum information, and quantum chemistry, as well as quantities required in meta-optimization of machine learning algorithms, can be expressed as gradients of implicitly defined functions of the parameters characterizing the system. Here, we show how to leverage implicit differentiation for gradient computation through variational quantum algorithms and explore applications in condensed matter physics, quantum machine learning, and quantum information. A function defined implicitly as the solution of a quantum algorithm, e.g., a varia…
Circuit design for quantum machine learning remains a formidable challenge. Inspired by the applications of tensor networks across different fields and their novel presence in the classical machine learning context, one proposed method to design variational circuits is to base the circuit architecture on tensor networks. Here, we comprehensively describe tensor-network quantum circuits and how to implement them in simulations. This includes leveraging circuit cutting, a technique used to evaluate circuits with more qubits than those available on current quantum devices. We then illustrate the …
Sub-universal variational circuits for combinatorial optimization problems
Department of Physics, University of Colorado Boulder, Boulder, CO 80309, USA（科罗拉多大学博尔德分校物理系）；University of Technology Sydney, Centre for Quantum Software（悉尼技术大学量子软件中心）；Department of Electrical, Computer and Energy Engineering, University of Colorado Boulder, Boulder, Colorado 80309, USA（科罗拉多大学博尔德分校电气、计算机与能源工程系）
We demonstrate the simulation of a noncollinear molecule, e.g. H2O molecule using Variational Quantum Eigensolver (VQE) with high chemical accuracy. The 2D and 3D potential energy surface (PES) were reported. Taking advantage of the potential speedup in Qiskit runtime program, the optimal initial parameters for the variational quantum circuits were obtained after several consecutive iterations, thus resulting in accurate prediction of water's PES matching result obtained from exact diagonalization of the full Hamiltonian.
We explore how to build quantum circuits that compute the lowest energy state corresponding to a given Hamiltonian within a Symmetry subspace by explicitly encoding it into the circuit. We create an explicit unitary and a variationally trained unitary that maps any vector output by ansatz A(~α) from a defined subspace to a vector in the symmetry space. The parameters are trained varitionally to minimize the energy thus keeping the output within the labelled symmetry value. The method was tested for a spin XXZ hamiltonian using rotation and reflection symmetry and H2 hamiltonian within S_z = 0 …
We generalize solid-state tight-binding techniques for the spectral analysis of large superconducting circuits. We find that tight-binding states can be better suited for approximating the low-energy excitations than charge-basis states, as illustrated for the interesting example of the current-mirror circuit. The use of tight binding can dramatically lower the Hilbert space dimension required for convergence to the true spectrum, and allows for the accurate simulation of larger circuits that are out of reach of charge basis diagonalization.
Institute for Advanced Study（高等研究院）；Samsung Research（三星研究院）；Korea Institute for Advanced Study（韩国高等研究院）；Korea Advanced Institute of Science and Technology（韩国科学技术院）
We explore the effectiveness of variational quantum circuits in simulating the ground states of quantum many-body Hamiltonians. We show that generic high-depth circuits, performing a sequence of layer unitaries of the same form, can accurately approximate the desired states. We demonstrate their universal success by using two Hamiltonian systems with very different properties: the transverse field Ising model and the Sachdev-Ye-Kitaev model. The energy landscape of the high-depth circuits has a proper structure for the gradient-based optimization, i.e. the presence of local extrema -- near any…
National University of Defense Technology（国防科技大学）；National Innovation Institute of Defense Technology（国防科技创新研究院）
Quantum state tomography is a key process in most quantum experiments. In this work, we employ quantum machine learning for state tomography. Given an unknown quantum state, it can be learned by maximizing the fidelity between the output of a variational quantum circuit and this state. The number of parameters of the variational quantum circuit grows linearly with the number of qubits and the circuit depth, so that only polynomial measurements are required, even for highly-entangled states. After that, a subsequent classical circuit simulator is used to transform the information of the target …
We characterize the variational power of quantum circuit tensor networks in the representation of physical many-body ground-states. Such tensor networks are formed by replacing the dense block unitaries and isometries in standard tensor networks by local quantum circuits. We explore both quantum circuit matrix product states and the quantum circuit multi-scale entanglement renormalization ansatz, and introduce an adaptive method to optimize the resulting circuits to high fidelity with more than $10^4$ parameters. We benchmark their expressiveness against standard tensor networks, as well as ot…
Due to the unreliability and limited capacity of existing quantum computer prototypes, quantum circuit simulation continues to be a vital tool for validating next generation quantum computers and for studying variational quantum algorithms, which are among the leading candidates for useful quantum computation. Existing quantum circuit simulators do not address the common traits of variational algorithms, namely: 1) their ability to work with noisy qubits and operations, 2) their repeated execution of the same circuits but with different parameters, and 3) the fact that they sample from circuit…
We propose a hybrid quantum-classical approach to model continuous classical probability distributions using a variational quantum circuit. The architecture of the variational circuit consists of two parts: a quantum circuit employed to encode a classical random variable into a quantum state, called the quantum encoder, and a variational circuit whose parameters are optimized to mimic a target probability distribution. Samples are generated by measuring the expectation values of a set of operators chosen at the beginning of the calculation. Our quantum generator can be complemented with a clas…
Variational quantum algorithms dominate gate-based applications of modern quantum processors. The so called, {\it layer-wise trainability conjecture} appears in various works throughout the variational quantum computing literature. The conjecture asserts that a quantum circuit can be trained piece-wise, e.g.~that a few layers can be trained in sequence to minimize an objective function. Here we prove this conjecture false. Counterexamples are found by considering objective functions that are exponentially close (in the number of qubits) to the identity matrix. In the finite setting, we found a…
This paper proposes a hybrid quantum-classical algorithm that learns a suitable quantum feature map that separates unlabelled data that is originally non linearly separable in the classical space using a Variational quantum feature map and q-means as a subroutine for unsupervised learning. The objective of the Variational circuit is to maximally separate the clusters in the quantum feature Hilbert space. First part of the circuit embeds the classical data into quantum states. Second part performs unsupervised learning on the quantum states in the quantum feature Hilbert space using the q-means…
We propose a method for finding approximate compilations of quantum unitary transformations, based on techniques from policy gradient reinforcement learning. The choice of a stochastic policy allows us to rephrase the optimization problem in terms of probability distributions, rather than variational gates. In this framework, the optimal configuration is found by optimizing over distribution parameters, rather than over free angles. We show numerically that this approach can be more competitive than gradient-free methods, for a comparable amount of resources, both for noiseless and noisy circu…
Electronic structure simulation is an anticipated application for quantum computers. Due to high-dimensional quantum entanglement in strongly correlated systems, the quantum resources required to perform such simulations are far beyond the capacity of current quantum devices. To reduce the quantum circuit complexity, it has been suggested to incorporate a part of the electronic correlation into an effective Hamiltonian, which is often obtained from a similarity transformation of the electronic Hamiltonian. In this work, we introduce a new transformation in the form of a product of a linear com…
Utilizing counterdiabatic (CD) driving - aiming at suppression of diabatic transition - in digitized adiabatic evolution have garnered immense interest in quantum protocols and algorithms. However, improving the approximate CD terms with a nested commutator ansatz is a challenging task. In this work, we propose a technique of finding optimal coefficients of the CD terms using a variational quantum circuit. By classical optimizations routines, the parameters of this circuit are optimized to provide the coefficients corresponding to the CD terms. Then their improved performance is exemplified in…
Quantum error correction is vital for implementing universal quantum computing. A key component is the encoding circuit that maps a product state of physical qubits into the encoded multipartite entangled logical state. Known methods are typically not 'optimal' either in terms of the circuit depth (and therefore the error burden) or the specifics of the target platform, i.e. the native gates and topology of a system. This work introduces a variational compiler for efficiently finding the encoding circuit of general quantum error correcting codes with given quantum hardware. Focusing on the noi…
We present an initialisation method for variational quantum algorithms applicable to intermediate scale quantum computers. The method uses simulated annealing of the efficiently simulable Clifford parameter points as a pre-optimisation to find a low energy initial condition. We numerically demonstrate the effectiveness of the technique, and how it depends on Hamiltonian structure, number of qubits and circuit depth. While a range of different problems are considered, we note that the method is particularly useful for quantum chemistry problems. This presented method could help achieve a quantu…
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 gradie…
The development of quantum computational techniques has advanced greatly in recent years, parallel to the advancements in techniques for deep reinforcement learning. This work explores the potential for quantum computing to facilitate reinforcement learning problems. Quantum computing approaches offer important potential improvements in time and space complexity over traditional algorithms because of its ability to exploit the quantum phenomena of superposition and entanglement. Specifically, we investigate the use of quantum variational circuits, a form of quantum machine learning. We present…
National Taiwan University（台湾大学）；Georgia Institute of Technology（佐治亚理工学院）；IBM Research（IBM研究院）
The state-of-the-art machine learning approaches are based on classical von Neumann computing architectures and have been widely used in many industrial and academic domains. With the recent development of quantum computing, researchers and tech-giants have attempted new quantum circuits for machine learning tasks. However, the existing quantum computing platforms are hard to simulate classical deep learning models or problems because of the intractability of deep quantum circuits. Thus, it is necessary to design feasible quantum algorithms for quantum machine learning for noisy intermediate s…
University of Minho（米尼奥大学）；INESC TEC（葡萄牙系统与计算机工程研究所（INESC TEC））；International Nanotechnology Laboratory (INL)（国际纳米技术实验室（INL））
Variational Quantum Circuits are being used as versatile Quantum Machine Learning models. Some empirical results exhibit an advantage in supervised and generative learning tasks. However, when applied to Reinforcement Learning, less is known. In this work, we considered a Variational Quantum Circuit composed of a low-depth hardware-efficient ansatz as the parameterized policy of a Reinforcement Learning agent. We show that an $ε$-approximation of the policy gradient can be obtained using a logarithmic number of samples concerning the total number of parameters. We empirically verify that such …
The variational quantum eigensolver is one of the most promising approaches for performing chemistry simulations using noisy intermediate-scale quantum (NISQ) processors. The efficiency of this algorithm depends crucially on the ability to prepare multi-qubit trial states on the quantum processor that either include, or at least closely approximate, the actual energy eigenstates of the problem being simulated while avoiding states that have little overlap with them. Symmetries play a central role in determining the best trial states. Here, we present efficient state preparation circuits that r…
The standard paradigm for state preparation on quantum computers for the simulation of physical systems in the near term has been widely explored with different algorithmic methods. One such approach is the optimization of parameterized circuits, but this becomes increasingly challenging with circuit size. As a consequence, the utility of large-scale circuit optimization is relatively unknown. In this work we demonstrate that purely classical resources can be used to optimize quantum circuits in an approximate but robust manner such that we can bridge the resources that we have from high perfo…
University of Innsbruck（因斯布鲁克大学）；Warsaw University of Technology（华沙理工大学）；Leiden University（莱顿大学）
The study of Variational Quantum Eigensolvers (VQEs) has been in the spotlight in recent times as they may lead to real-world applications of near-term quantum devices. However, their performance depends on the structure of the used variational ansatz, which requires balancing the depth and expressivity of the corresponding circuit. In recent years, various methods for VQE structure optimization have been introduced but the capacities of machine learning to aid with this problem has not yet been fully investigated. In this work, we propose a reinforcement learning algorithm that autonomously e…
All you need is spin: SU(2) equivariant variational quantum circuits based on spin networks
School of Integrated Technology, Yonsei University, Incheon 21983, Republic of Korea（延世大学集成技术学院）；Department of Quantum Information, Yonsei University, Incheon 21983, Republic of Korea（延世大学量子信息系）
The optimization of circuit parameters of variational quantum algorithms such as the variational quantum eigensolver (VQE) or the quantum approximate optimization algorithm (QAOA) is a key challenge for the practical deployment of near-term quantum computing algorithms. Here, we develop a hybrid quantum/classical optimization procedure inspired by the Jacobi diagonalization algorithm for classical eigendecomposition, and combined with Anderson acceleration. In the first stage, analytical tomography fittings are performed for a local cluster of circuit parameters via sampling of the observable …
Variational quantum algorithms dominate contemporary gate-based quantum enhanced optimisation, eigenvalue estimation and machine learning. Here we establish the quantum computational universality of variational quantum computation by developing two objective functions which minimise to prepare outputs of arbitrary quantum circuits. The fleeting resource of variational quantum computation is the number of expected values which must be iteratively minimised using classical-to-quantum outer loop optimisation. An efficient solution to this optimisation problem is given by the quantum circuit being…
Variational quantum algorithms (VQAs) provide a promising approach to achieve quantum advantage in the noisy intermediate-scale quantum era. In this era, quantum computers experience high error rates and quantum error detection and correction is not feasible. VQAs can utilize noisy qubits in tandem with classical optimization algorithms to solve hard problems. However, VQAs are still slow relative to their classical counterparts. Hence, improving the performance of VQAs will be necessary to make them competitive. While VQAs are expected perform better as the problem sizes increase, increasing …
Late Breaking Results: Hardware-Aware Compilation Reshapes Trainability in Variational Quantum Circuits
eBRAIN Lab, Division of Engineering, New York University (NYU) Abu Dhabi（纽约大学阿布扎比分校工程学院）；Center for Quantum and Topological Systems, NYUAD Research Institute, NYU Abu Dhabi（纽约大学阿布扎比分校研究学院量子与拓扑系统中心）
