Variational quantum eigensolvers (VQEs) are one of the most important and effective applications of quantum computing, especially in the current noisy intermediate-scale quantum (NISQ) era. There are two main approaches for VQEs: problem-agnostic and problem-specific. For problem-agnostic methods, they often suffer from trainability issues. For problem-specific methods, their performance usually relies upon the choice of initial reference states, which are often hard to determine. In this paper, we propose an entanglement-variational hardware-efficient ansatz (EHA), and numerically compare it with some widely used ansatzes by solving benchmark problems in quantum many-body systems and quantum chemistry. Our EHA is problem-agnostic and hardware-efficient, is especially suitable for NISQ devices, and has potential for wide applications. Our EHA can achieve a higher level of accuracy in finding ground states and their energies in most cases, even compared with problem-specific methods. The performance of the EHA is robust to the choice of initial states and to parameter initialization, and it has the ability to quickly adjust the entanglement to the required amount, which is also the fundamental reason for its superiority.
Variational quantum eigensolvers (VQEs) are one of the most important and effective applications of quantum computing, especially in the current noisy intermediate-scale quantum (NISQ) era. There are two main approaches for VQEs: problem-agnostic and problem-specific. For problem-agnostic methods, they often suffer from trainability issues. For problem-specific methods, their performance usually relies upon the choice of initial reference states, which are often hard to determine. In this paper, we propose an entanglement-variational hardware-efficient ansatz (EHA), and numerically compare it with some widely used ansatzes by solving benchmark problems in quantum many-body systems and quantum chemistry. Our EHA is problem-agnostic and hardware-efficient, is especially suitable for NISQ devices, and has potential for wide applications. Our EHA can achieve a higher level of accuracy in finding ground states and their energies in most cases, even compared with problem-specific methods. The performance of the EHA is robust to the choice of initial states and to parameter initialization, and it has the ability to quickly adjust the entanglement to the required amount, which is also the fundamental reason for its superiority.
Quantum chemistry is one of the most promising applications of quantum computers in the near future. For noisy intermediate-scale quantum devices, the quantum-classical hybrid framework based on the variational quantum eigensolver (VQE) has become the method of choice. In the literature, there are many different variants of VQE, but it is not known which one is optimal for a given molecule. For this purpose, we perform a thorough benchmarking on more than ten different kinds of VQE ansatzes (in systems up to 30 qubits), based on their performance on the energy accuracy, runtime until convergence, and number of parameters. Our results show that the ADAPT ansatz can be used to obtain more accurate energy for small systems (below 14 qubits), but it costs much more computational resources. For larger molecules, UCCSD0 has better performance. However, all the tested ansatzes can hardly reach chemical accuracy at stretched bond lengths. Our results were obtained using MindSpore Quantum, where the codes and the benchmarking toolkit are publicly available at Gitee.
Quantum computers promise a great computational advantage over classical computers, which might help solve various computational challenges such as the simulation of complicated quantum systems, finding optimum in large optimization problems, and solving large-scale linear algebra problems. Current available quantum devices have only a limited amount of qubits and a high level of noise, limiting the size of problems that can be solved accurately with those devices. Variational quantum algorithms (VQAs) have emerged as a leading strategy to address these limitations by optimizing cost function based on measurement results of shallow depth circuits. Recently, various pulse engineering methods were suggested in order to improve VQA results, including optimizing pulse parameters instead of gate angles as part of the VQA optimization process. In this paper, we suggest a novel pulse-based ansatz, which is parameterized mainly by pulses’ duration of pre-defined pulse structures. This ansatz structure provides relatively low amounts of optimization parameters while maintaining high expressibility, allowing fast convergence. In addition, the ansatz has structured adaptivity to the entanglement level required by the problem, allowing low noise and accurate results. We tested this ansatz against quantum chemistry problems. Specifically, finding the ground-state energy associated with the electron configuration problem, using the variational quantum eigensolver (VQE) algorithm for several different molecules. We manage to achieve chemical accuracy both in simulation for several molecules and on one of IBM’s NISQ devices for the H2 molecule in the STO-3G basis, without the need for extensive error mitigation. Our results are compared to a common gate-based ansatz and show better accuracy and significant latency reduction—up to 7× shorter ansatz schedules.
Quantum computers have the potential to deliver speed-ups for solving certain important problems that are intractable for classical counterparts, making them a promising avenue for advancing modern computation. However, many quantum algorithms require deep quantum circuits, which are challenging to implement on current noisy devices. To address this limitation, variational quantum algorithms (VQAs) have been actively developed, enabling practical quantum computing in the noisy intermediate-scale quantum (NISQ) era. Among them, the variational quantum eigensolver (VQE) stands out as a leading approach for solving problems in quantum chemistry, many-body physics, and even integer factorization. The VQE algorithm can be implemented on various quantum hardware platforms, including photonic systems, quantum dots, trapped ions, neutral atoms, and superconducting circuits. In particular, photonic platforms offer several advantages: they operate at room temperature, exhibit low decoherence, and support multiple degrees of freedom, making them suitable for scalable, high-dimensional quantum computation. Here we present methodologies for realizing VQE on photonic systems, highlighting their potential for practical quantum computing. We first provide a theoretical overview of the VQE framework, focusing on the procedure for variationally estimating ground state energies. We then explore how photonic systems can implement these processes, showing that a wide variety of problems can be addressed using either multiple qubit states or a single qudit state.
High Resolution Image Download MS PowerPoint Slide The variational quantum eigensolver (VQE) algorithm has positioned quantum chemistry calculation methods as promising applications for noisy intermediate-scale quantum (NISQ) devices. In NISQ devices, where the quantum noise is considerable, it is desirable to have an ansatz for the quantum circuit that is practical to implement and capable of achieving high chemical accuracy. Hardware-efficient Ansätze (HEA), such as the RyRz linear ansatz (RLA) and its modified form that preserves physical quantities─the symmetry preserving ansatz (SPA)─are constructed using quantum gates that can be implemented easily on a quantum computer. However, the extent to which HEA can accurately yield the electronic state energies of actual molecules and the number of quantum gates required to achieve chemical accuracy─which, in practical cases, should be within 1 kcal/mol of the exact energy value─are not well understood. In this study, we aimed to gain a detailed understanding of these aspects by performing noiseless simulations to obtain the ground and low-lying excited state using high-depth HEA quantum circuits for several molecules, including LiH, H 2 O, BeH 2, CH 4, and N 2 . From the results, we demonstrated that symmetry preserving HEA, such as SPA, can achieve accurate computational results that maintain CCSD-level chemical accuracy by increasing the number of layers. We quantitatively analyze how the expressibility and entangling capability of RLA and SPA quantum circuits evolve with circuit depth. Our results reveal that while increased layers generally expand accessible Hilbert space and entanglement, differences in their limitations highlight the importance of considering physically allowed entanglement for performance of a parametric quantum circuit in VQE. We also studied the potential energy surface of the dissociation of these molecules and found that quantum circuits using SPA can capture static electron correlation, which is challenging to address with classical single-reference quantum chemistry methods such as CCSD. These results from SPA demonstrate its potential to represent electronic states, as it achieves highly accurate results with fewer gate operations compared to physically inspired quantum circuits such as the Unitary Coupled Cluster (UCC) method. This study establishes a possible path for the application of quantum devices in solving quantum chemistry problems.
Variational quantum algorithms (VQAs) for combinatorial optimization routinely employ entangling gates as a default design choice, yet the role of entanglement, in its amount and structure, remains poorly understood. This gap is particularly consequential for problems governed by diagonal Hamiltonians, whose ground states are classical product states and therefore require no entanglement in principle, raising the fundamental question of whether and how entangling gates help or hinder the variational search. We investigate this question for MaxCut by introducing two complementary control mechanisms that provide smooth, monotonic control over hardware-efficient ansatz (HEA) entanglement as quantified by the Meyer-Wallach measure Q, and by benchmarking against QAOA as a problem-structured reference. Tracking the entanglement trajectory Q(t) throughout VQA training reveals that when the ansatz grants the optimizer indirect control over entanglement through its parameters, it consistently drives entanglement down. In line with this tendency, a fully separable ansatz outperforms all entangled hardware-efficient configurations, establishing a monotonic relationship: less problem-agnostic entanglement yields better performance. In contrast, QAOA, whose entanglement is structurally derived from the problem Hamiltonian, maintains high entanglement yet achieves competitive solution quality, demonstrating that entanglement structure, not merely quantity, determines its utility. These findings suggest that HEAs for diagonal Hamiltonians are inappropriate and that variational approaches to combinatorial optimization should prioritize problem-structured circuit designs.
The Variational Quantum Eigensolver (VQE) is a leading hybrid quantum-classical algorithm for simulating many-body systems in the NISQ era. Its effectiveness, however, depends on the faithful preparation of eigenstates, which becomes challenging in degenerate and strongly entangled regimes. We study this problem using the transverse-field Ising model (TFIM) with periodic boundary conditions in one, two, and three dimensions, considering systems of up to 27 qubits. We employ different ansatzes: the hardware-efficient EfficientSU2 from Qiskit, the physics-inspired Hamiltonian Variational Ansatz (HVA) and HVA with symmetry breaking, and benchmark their performance using energy variance, entanglement entropy, spin correlations, and magnetization.