We present and benchmark a type of variational quantum eigensolver (VQE), which we denote the $σ$-VQE. It is designed to target mid-spectrum eigenstates and prepare quantum many-body scar states. The approach leverages the fact that noisy intermediate-scale quantum devices are limited in their ability to generate generic highly-entangled states. This modified VQE pairs a low-depth circuit with an energy-selective objective that explicitly penalizes energy variance around a chosen target energy. The cost function exploits the limited expressibility of the shallow circuit as atypical low-entanglement eigenstates such as scar states are preferentially selected. We validate this mechanism across two complementary families of models that contain many-body scar states: the Shiraishi-Mori embedding approach, and the matrix-product state parent Hamiltonian construction. We define an unbiased estimation scheme for the nonlinear cost function that is compatible with qubit-wise commuting grouping and bitstring reuse. A proof-of-principle demonstration using a small-system instance was carried out on IBM Fez (Heron r2 QPU). These results motivate its use both as a practical "scar detector" and as a state-preparation primitive for initializing nonthermal eigenstate-supported dynamics.
σ-VQE: Excited-state preparation of quantum many-body scars with shallow circuits
We present and benchmark a type of variational quantum eigensolver (VQE), which we denote the σ-VQE. It is designed to target mid-spectrum eigenstates and prepare quantum many-body scar states. The approach leverages the fact that noisy intermediate-scale quantum devices are limited in their ability to generate generic highly-entangled states. This modified VQE pairs a low-depth circuit with an energy-selective objective that explicitly penalizes energy variance around a chosen target energy. The cost function exploits the limited expressibility of the shallow circuit as atypical low-entanglement eigenstates such as scar states are preferentially selected. We validate this mechanism across two complementary families of models that contain many-body scar states: the Shiraishi-Mori embedding approach, and the matrix-product state parent Hamiltonian construction. We define an unbiased estimation scheme for the nonlinear cost function that is compatible with qubit-wise commuting grouping and bitstring reuse. A proof-of-principle demonstration using a small-system instance was carried out on IBM Fez (Heron r2 QPU). These results motivate its use both as a practical "scar detector" and as a state-preparation primitive for initializing nonthermal eigenstate-supported dynamics.
Quantum many-body scar states are highly excited eigenstates of many-body systems that exhibit atypical entanglement and correlation properties relative to typical eigenstates at the same energy density. Scar states also give rise to infinitely long-lived coherent dynamics when the system is prepared in a special initial state having finite overlap with them. Many models with exact scar states have been constructed, but the fate of scarred eigenstates and dynamics when these models are perturbed is difficult to study with classical computational techniques. In this work, we propose state preparation protocols that enable the use of quantum computers to study this question. We present protocols both for individual scar states in a particular model, as well as superpositions of them that give rise to coherent dynamics. For superpositions of scar states, we present both a system-size-linear depth unitary and a finite-depth nonunitary state preparation protocol, the latter of which uses measurement and postselection to reduce the circuit depth. For individual scarred eigenstates, we formulate an exact state preparation approach based on matrix product states that yields quasipolynomial-depth circuits, as well as a variational approach with a polynomial-depth ansatz circuit. We also provide proof of principle state-preparation demonstrations on superconducting quantum hardware.
Abstract The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenstates of a given Hamiltonian on noisy intermediate-scale quantum devices (NISQ). The practical realization is limited by the complexity of quantum circuits. Here we present an approach to reduce quantum circuit complexity in VQE for electronic structure calculations. Our ClusterVQE algorithm splits the initial qubit space into clusters which are further distributed on individual (shallower) quantum circuits. The clusters are obtained based on mutual information reflecting maximal entanglement between qubits, whereas inter-cluster correlation is taken into account via a new “dressed” Hamiltonian. ClusterVQE therefore allows exact simulation of the problem by using fewer qubits and shallower circuit depth at the cost of additional classical resources, making it a potential leader for quantum chemistry simulations on NISQ devices. Proof-of-principle demonstrations are presented for several molecular systems based on quantum simulators as well as IBM quantum devices.
The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for noisy intermediate-scale quantum (NISQ) hardware to estimate eigenvalues of many-body Hamiltonians. Unlike fully quantum approaches such as quantum phase estimation (QPE), VQE trades deep coherent circuits for repeated state preparation, measurement, and classical optimization, making it more compatible with limited qubit counts and finite coherence times. Recent developments have focused on reducing quantum resource requirements while retaining chemically meaningful wavefunction structure. In this paper, we examine recent progress in VQE methods for molecular electronic structure with an emphasis on three themes: (i) strategies for circuit and ansatz complexity reduction, including adaptive and selectively screened approaches, (ii) chemically motivated workflows that combine VQE with orbital optimization, fragmentation, and localized active-space ideas to better address strong correlation, and (iii) extensions of VQE to excited-state calculations. Throughout, we emphasize the tradeoffs among parameter count, gate depth, symmetry preservation, measurement overhead, and classical preprocessing, and discuss where these approaches may become most useful for chemically challenging active spaces. We also highlight benchmarking considerations for assessing both accuracy and resource requirements, and conclude with a perspective on regimes in which VQE may offer the greatest long-term value, particularly multireference active spaces and low-lying excited-state manifolds.
Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to their volume-law entanglement content. In this work, we explore the potential of variational quantum algorithms to approximate such states. We propose an adaptive variational quantum eigensolver (VQE) for excited states (X) that self-generates a variational ansatz for arbitrary eigenstates of a many-body Hamiltonian H by attempting to minimize the energy variance with respect to H. We benchmark the method by applying it to an Ising spin chain with integrable and nonintegrable regimes, where we calculate various quantities of interest, including the total energy, magnetization density, and entanglement entropy. We also compare the performance of adaptive VQE-X to an adaptive variant of the folded-spectrum method. For both methods, we find a strong dependence of the algorithm's performance on the choice of operator pool used for the adaptive construction of the ansatz. In particular, an operator pool including long-range two-body gates accelerates the convergence of both algorithms in the nonintegrable regime. We also study the scaling of the number of variational parameters with system size, finding that an exponentially large number of parameters may be necessary to approximate individual highly excited states. Nevertheless, we argue that these methods lay a foundation for the use of quantum algorithms to study finite-energy-density properties of many-body systems.
Abstract The variational quantum eigensolver (VQE) is one of the most promising and widely used algorithms for exploiting the capabilities of current Noisy Intermediate-Scale Quantum (NISQ) devices. However, VQE algorithms suffer from a plethora of issues, such as barren plateaus, local minima, quantum hardware noise, and limited qubit connectivity, thus posing challenges for their successful deployment on hardware and simulators. In this work, we propose a VQE optimization strategy that builds upon recent advances in the literature, and exhibits very shallow circuit depths when applied to the specific system of interest, namely a model Hamiltonian representing a cuprate superconductor. These features make our approach a favorable candidate for generating good ground state approximations on current NISQ devices. Our findings illustrate the potential of VQE algorithmic development for leveraging the full capabilities of NISQ devices.
Variational quantum algorithms (VQAs) have emerged in recent years as a promise to obtain quantum advantage. These task-oriented algorithms work in a hybrid loop combining a quantum processor and classical optimization. Using a specific class of VQA named variational quantum eigensolvers (VQEs), we choose some parameterized quantum circuits to benchmark them at entanglement witnessing and entangled ground state detection for many-body systems described by Heisenberg Hamiltonian, varying the number of qubits and shots. Quantum circuits whose structure is inspired by the Hamiltonian interactions presented better results on cost function estimation than problem-agnostic circuits.