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This study benchmarks classical optimizers against the geometric complexity of Hamiltonian-ansatz landscapes in Variational Quantum Eigensolver (VQE) simulations for frustrated spin models. By isolating landscape structure from variational expressivity errors, the work provides critical insights into how circuit depth and optimizer choice jointly dictate performance on non-commuting quantum systems. These findings are essential for advancing hybrid quantum-classical algorithms toward practical applications in quantum chemistry and materials science.
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Optimization Landscape Geometry in VQE for Frustrated Quantum Spin Models

arXiv2 min read

arXiv:2609.00235v1 Announce Type: new Abstract: We benchmark eight classical optimizers for exact-statevector VQE calculations on a controlled hierarchy of frustrated spin models, ranging from a diagonal Ising glass to transverse-field Ising and anisotropic Heisenberg models. The benchmark includes local, stochastic-gradient, evolutionary, covariance-adaptation, and swarm-based optimization methods under matched function-evaluation budgets. To understand their performance beyond final energies, we characterize the underlying Hamiltonian--ansatz landscapes in terms of local minima, gradients, curvature, and ground-state reachability. We use simple variational circuits, from an $R_y$ product-state ansatz for the diagonal model to shallow $R_y$--CNOT hardware-efficient circuits for the noncommuting models, and study how increasing circuit depth changes their expressivity, reachability, and optimization geometry. We find that optimizer performance changes substantially across the model hierarchy and is closely connected to landscape structure, while the variational gap represents a separate source of error. These results show how classical optimization, variational expressivity, and landscape geometry jointly determine VQE performance for frustrated spin models.

Abstract:We benchmark eight classical optimizers for exact-statevector VQE calculations on a controlled hierarchy of frustrated spin models, ranging from a diagonal Ising glass to transverse-field Ising and anisotropic Heisenberg models. The benchmark includes local, stochastic-gradient, evolutionary, covariance-adaptation, and swarm-based optimization methods under matched function-evaluation budgets. To understand their performance beyond final energies, we characterize the underlying Hamiltonian--ansatz landscapes in terms of local minima, gradients, curvature, and ground-state reachability. We use simple variational circuits, from an $R_y$ product-state ansatz for the diagonal model to shallow $R_y$--CNOT hardware-efficient circuits for the noncommuting models, and study how increasing circuit depth changes their expressivity, reachability, and optimization geometry. We find that optimizer performance changes substantially across the model hierarchy and is closely connected to landscape structure, while the variational gap represents a separate source of error. These results show how classical optimization, variational expressivity, and landscape geometry jointly determine VQE performance for frustrated spin models.

G.1.6; I.2.8; F.1.1; J.2

arXiv:2609.00235 [quant-ph]

(or arXiv:2609.00235v1 [quant-ph] for this version)

https://doi.org/10.48550/arXiv.2609.00235 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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Full text under the publisher's open licence · 246 words

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