A variational calculation of the energy levels of a class of PT-invariant quantum mechanical models described by the non-Hermitian Hamiltonian H= p^2 - (ix)^N with N positive and x complex is presented. Excellent agreement is obtained for the ground state and low lying excited state energy levels and wave functions. We use an energy functional with a three parameter class of PT-symmetric trial wave functions in obtaining our results.
This study introduces a novel minimalistic variational quantum ansatz inspired by algorithmic cooling principles. The proposed Heat Exchange algorithmic cooling ansatz (HE ansatz) facilitates efficient population redistribution without requiring bath resets, simplifying implementation on noisy intermediate-scale quantum (NISQ) devices. The HE ansatz achieves superior approximation ratios with the complete network \textsc{Maxcut} optimization problem compared to the conventional Hardware efficient and QAOA ansatz. We also proposed a new variational algorithm that utilize HE ansatz to compute th…
A central component of variational quantum algorithms (VQA) is the state-preparation circuit, also known as ansatz or variational form. This circuit is most commonly designed to respect the symmetries of the problem Hamiltonian and, in this way, constrain the variational search to a subspace of interest. Here, we show that this approach is not always advantageous by introducing ansätze that incorporate symmetry-breaking unitaries. This class of ansätze, that we call Quantum-Optimal-Control-inspired Ansätze (QOCA), is inspired by the theory of quantum optimal control and leads to an improved co…
Variational quantum eigensolver (VQE) for electronic structure calculations is believed to be one major potential application of near term quantum computing. Among all proposed VQE algorithms, the unitary coupled cluster singles and doubles excitations (UCCSD) VQE ansatz has achieved high accuracy and received a lot of research interest. However, the UCCSD VQE based on fermionic excitations needs extra terms for the parity when using Jordan-Wigner transformation. Here we introduce a new VQE ansatz based on the particle preserving exchange gate to achieve qubit excitations. The proposed VQE ans…
The hardware requirements of useful quantum algorithms remain unmet by the quantum computers available today. Because it was designed to soften these requirements, the Variational Quantum Eigensolver (VQE) has gained popularity as a contender for a chance at quantum advantage with near-term quantum computers. The ansatz, a parameterized circuit that prepares trial states, can dictate the success (or lack thereof) of a VQE. Too deep ansätze can hinder near-term viability, or lead to trainability issues that render the algorithm inefficient. The purpose of this thesis was to analyse different an…
Variational quantum algorithms have found success in the NISQ era owing to their hybrid quantum-classical approach which mitigate the problems of noise in quantum computers. In our study we introduce the dynamic ansatz in the Variational Quantum Linear Solver for a system of linear algebraic equations. In this improved algorithm, the number of layers in the hardware efficient ansatz circuit is evolved, starting from a small and gradually increasing until convergence of the solution is reached. We demonstrate the algorithm advantage in comparison to the standard, static ansatz by utilizing fewe…
Quantifying the flatness of the objective-function landscape associated with unstructured parameterized quantum circuits is important for understanding the performance of variational algorithms utilizing a "hardware-efficient ansatz", particularly for ensuring that a prohibitively flat landscape -- a so-called "barren plateau" -- is avoided. For a model of such ansätze, we relate the typical landscape flatness to a certain family of random walks, enabling us to derive a Monte Carlo algorithm for efficiently, classically estimating the landscape flatness for any architecture. The statistical pi…
We suggest a general ansatz for the energy-eigenstates when a complex one-dimensional PT-symmetric potential possesses real discrete spectrum. Several interesting features of PT-symmetric quantum mechanics have been brought out using this ansatz.
Variational quantum eigensolvers (VQEs) are a promising class of quantum algorithms for preparing approximate ground states in near-term quantum devices. Minimizing the error in such an approximation requires designing ansatzes using physical considerations that target the studied system. One such consideration is size-extensivity, meaning that the ground state quantum correlations are to be compactly represented in the ansatz. On digital quantum computers, however, the size-extensive ansatzes usually require expansion via Trotter-Suzuki methods. These introduce additional costs and errors to …
Exploring variational quantum eigensolver ansatzes for the long-range XY model
Institute of High Performance Computing, A*STAR (Agency for Science, Technology and Research)（高性能计算研究所，A*STAR（科学与技术研究局））；Singapore University of Technology and Design (SUTD)（新加坡科技设计大学）
Exploring critical states of the quantum Rabi model via Hamiltonian variational ansätze
South China Normal University（华南师范大学）；Key Laboratory of Atomic and Subatomic Structure and Quantum Control (Ministry of Education)（原子与亚原子结构及量子控制教育部重点实验室）；Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of Matter（广东省物质结构与基本相互作用卓越基础研究中心）；School of Physics, South China Normal University（华南师范大学物理学院）；Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials（广东省量子工程与量子材料重点实验室）；Guangdong-Hong Kong Joint Laboratory of Quantum Matter（广东-香港量子物质联合实验室）；Frontier Research Institute for Physics, South China Normal University（华南师范大学前沿物理研究院）
The ground and excited state calculations at key geometries, such as the Frank-Condon (FC) and the conical intersection (CI) geometries, are essential for understanding photophysical properties. To compute these geometries on noisy intermediate-scale quantum devices, we proposed a strategy that combined a chemistry-inspired spin-restricted ansatz and a new excited state calculation method called the variational quantum eigensolver under automatically-adjusted constraints (VQE/AC). Unlike the conventional excited state calculation method, called the variational quantum deflation, the VQE/AC doe…
Variational quantum algorithms are suitable for use on noisy quantum systems. One of the most important use-cases is the quantum simulation of materials, using the variational quantum eigensolver (VQE). To optimize VQE performance, a suitable parameterized quantum circuit (ansatz) must be selected. We investigate a class of ansatze that incorporates knowledge of the quantum hardware, namely the hardware efficient ansatze. The performance of hardware efficient ansatze is affected differently by noise, and our goal is to study the effect of noise on evaluating which ansatz gives more accurate re…
Variational quantum algorithms involve training parameterized quantum circuits using a classical co-processor. An important variational algorithm, designed for combinatorial optimization, is the quantum approximate optimization algorithm. Realization of this algorithm on any modern quantum processor requires either embedding a problem instance into a Hamiltonian or emulating the corresponding propagator by a gate sequence. For a vast range of problem instances this is impossible due to current circuit depth and hardware limitations. Hence we adapt the variational approach -- using ion native H…
Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible to simulate with a classical computer, the time and memory requirements generally scale exponentially with the system size. Conversely, quantum computers can efficiently simulate quantum systems, but not non-unitary imaginary time evolution. We propose a variational algorithm for simulating imaginary time evolution on a hybrid quantum computer. We use this algorithm to find the ground-state energy of many-particle systems; specifically molecular hydrogen and lithium hydride, finding the ground state …
The variational quantum eigensolver (VQE) is an attracting possible application of near-term quantum computers. Originally, the aim of the VQE is to find a ground state for a given specific Hamiltonian. It is achieved by minimizing the expectation value of the Hamiltonian with respect to an ansatz state by tuning parameters \(\bmθ\) on a quantum circuit which constructs the ansatz. Here we consider an extended problem of the VQE, namely, our objective in this work is to "generalize" the optimized output of the VQE just like machine learning. We aim to find ground states for a given set of Hami…
For a large number of tasks, quantum computing demonstrates the potential for exponential acceleration over classical computing. In the NISQ era, variable-component subcircuits enable applications of quantum computing. To reduce the inherent noise and qubit size limitations of quantum computers, existing research has improved the accuracy and efficiency of Variational Quantum Algorithm (VQA). In this paper, we explore the various ansatz improvement methods for VQAs at the gate level and pulse level, and classify, evaluate and summarize them.
A large ongoing research effort focuses on Variational Quantum Algorithms (VQAs), representing leading candidates to achieve computational speed-ups on current quantum devices. The scalability of VQAs to a large number of qubits, beyond the simulation capabilities of classical computers, is still debated. Two major hurdles are the proliferation of low-quality variational local minima, and the exponential vanishing of gradients in the cost function landscape, a phenomenon referred to as barren plateaus. Here we show that by employing iterative search schemes one can effectively prepare the grou…
Variational quantum eigensolver (VQE), which attracts attention as a promising application of noisy intermediate-scale quantum devices, finds a ground state of a given Hamiltonian by variationally optimizing the parameters of quantum circuits called ansatz. Since the difficulty of the optimization depends on the complexity of the problem Hamiltonian and the structure of the ansatz, it has been difficult to analyze the performance of optimizers for the VQE systematically. To resolve this problem, we propose a technique to construct a benchmark problem whose ground state is guaranteed to be achi…
A variational ansatz for momentum eigenstates of translation invariant quantum spin chains is formulated. The matrix product state ansatz works directly in the thermodynamic limit and allows for an efficient implementation (cubic scaling in the bond dimension) of the variational principle. Unlike previous approaches, the ansatz includes topologically non-trivial states (kinks, domain walls) for systems with symmetry breaking. The method is benchmarked using the spin-1/2 XXZ antiferromagnet and the spin-1 Heisenberg antiferromagnet and we obtain surprisingly accurate results.
Variational Quantum optimization algorithms, such as the Variational Quantum Eigensolver (VQE) or the Quantum Approximate Optimization Algorithm (QAOA), are among the most studied quantum algorithms. In our work, we evaluate and improve an algorithm based on VQE, which uses exponentially fewer qubits compared to the QAOA. We highlight the numerical instabilities generated by encoding the problem into the variational ansatz and propose a classical optimization procedure to find the ground-state of the ansatz in less iterations with a better or similar objective. Furthermore, we compare classica…
We present a general variational approach to determine the steady state of open quantum lattice systems via a neural network approach. The steady-state density matrix of the lattice system is constructed via a purified neural network ansatz in an extended Hilbert space with ancillary degrees of freedom. The variational minimization of cost functions associated to the master equation can be performed using a Markov chain Monte Carlo sampling. As a first application and proof-of-principle, we apply the method to the dissipative quantum transverse Ising model.
Detailed analysis of the system of four interacting ultra-cold fermions confined in a one-dimensional harmonic trap is performed. The analysis is done in the framework of a simple variational ansatz for the many-body ground state and its predictions are confronted with the results of numerically exact diagonalization of the many-body Hamiltonian. Short discussion on the role of the quantum statistics, i.e. Bose-Bose and Bose-Fermi mixtures is also presented. It is concluded that the variational ansatz, although seemed to be oversimplified, gives surprisingly good predictions of many different …
Approximating the ground states of strongly interacting electron systems in quantum chemistry and condensed matter physics is expected to be one of the earliest applications of quantum computers. In this paper, we prepare highly accurate ground states of the Fermi-Hubbard model for small grids up to 6 sites (12 qubits) by using an interpretable, adaptive variational quantum eigensolver(VQE) called ADAPT-VQE. In contrast with non-adaptive VQE, this algorithm builds a system-specific ansatz by adding an optimal gate built from one-body or two-body fermionic operators at each step. We show this a…
The superiority of variational quantum algorithms (VQAs) such as quantum neural networks (QNNs) and variational quantum eigen-solvers (VQEs) heavily depends on the expressivity of the employed ansatze. Namely, a simple ansatze is insufficient to capture the optimal solution, while an intricate ansatze leads to the hardness of the trainability. Despite its fundamental importance, an effective strategy of measuring the expressivity of VQAs remains largely unknown. Here, we exploit an advanced tool in statistical learning theory, i.e., covering number, to study the expressivity of VQAs. In partic…
Imaginary Hamiltonian variational ansatz for combinatorial optimization problems
Peking University（北京大学）；Collaborative Innovation Center of Quantum Matter（量子物质协同创新中心）；Center for High Energy Physics, Peking University（北京大学高能物理中心）；Interdisciplinary Theoretical and Mathematical Sciences Program (iTHEMS), RIKEN（理化学研究所跨学科理论与数学科学项目（iTHEMS））；Deutsches Elektronen-Synchrotron DESY（德国电子同步加速器）；Computation-Based Science and Technology Research Center, The Cyprus Institute（塞浦路斯研究所计算科学与技术研究中心）；Institut für Physik, Humboldt-Universität zu Berlin（柏林洪堡大学物理研究所）
Molecular simulations with the variational quantum eigensolver (VQE) are a promising application for emerging noisy intermediate-scale quantum computers. Constructing accurate molecular ansätze that are easy to optimize and implemented by shallow quantum circuits is crucial for the successful implementation of such simulations. Ansätze are, generally, constructed as series of fermionic-excitation evolutions. Instead, we demonstrate the usefulness of constructing ansätze with "qubit-excitation evolutions", which, contrary to fermionic excitation evolutions, obey "qubit commutation relations". W…
Variational hybrid quantum-classical algorithms are powerful tools to maximize the use of Noisy Intermediate Scale Quantum devices. While past studies have developed powerful and expressive ansatze, their near-term applications have been limited by the difficulty of optimizing in the vast parameter space. In this work, we propose a heuristic optimization strategy for such ansatze used in variational quantum algorithms, which we call "Parameter-Efficient Circuit Training" (PECT). Instead of optimizing all of the ansatz parameters at once, PECT launches a sequence of variational algorithms, in w…
We present and analyze large-scale simulation results of a hybrid quantum-classical variational method to calculate the ground state energy of the anti-ferromagnetic Heisenberg model. Using a massively parallel universal quantum computer simulator, we observe that a low-depth-circuit ansatz advantageously exploits the efficiently preparable Néel initial state, avoids potential barren plateaus, and works for both one- and two-dimensional lattices. The analysis reflects the decisive ingredients required for a simulation by comparing different ansätze, initial parameters, and gradient-based versu…
Finding the exact counterdiabatic potential is, in principle, particularly demanding. Following recent progresses about variational strategies to approximate the counterdiabatic operator, in this paper we apply this technique to the quantum annealing of the $p$-spin model. In particular, for $ p = 3 $ we find a new form of the counterdiabatic potential originating from a cyclic ansatz, that allows us to have optimal fidelity even for extremely short dynamics, independently of the size of the system. We compare our results with a nested commutator ansatz, recently proposed in P. W. Claeys, M. P…
Suppressing unwanted transitions out of the instantaneous ground state is a major challenge in unitary adiabatic quantum computation. A recent approach consists in building counterdiabatic potentials approximated using variational strategies. In this contribution, we extend this variational approach to Lindbladian dynamics, having as a goal the suppression of diabatic transitions between pairs of Jordan blocks in quantum annealing. We show that, surprisingly, unitary counterdiabatic ansätze are successful for dissipative dynamics as well, allowing for easier experimental implementations compar…
