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arXiv:2609.00235

Optimization Landscape Geometry in VQE for Frustrated Quantum Spin Models

Vojtěch Novák, Ivan Zelinka, Swagatam Das, Martin Beseda

quant-phSubmitted Aug 31, 2026• Announced Sep 2, 2026• 0 citations• Revised Sep 11, 2026 (v2)
v1 · Aug 31, 2026v2 · Sep 11, 2026
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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.

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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 RyR_yRy​ product-state ansatz for the diagonal model to shallow RyR_yRy​--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.
We explore the application of the Variational Quantum Eigensolver (VQE) to investigate the ground state properties, particularly the entanglement entropy, of the Transverse Field Ising Model (TFIM) in one, two, and three dimensions, considering systems of up to 27 spins. By benchmarking VQE results against exact diagonalization and analyzing the entanglement properties across different system sizes, we assess the algorithm's effectiveness in capturing faithful ground state. Using results of TFIM, we also investigate how VQE's expressivity and optimization influence the simulation of highly entangled quantum states. We employ different ansätze: the hardware-efficient EfficientSU2 from Qiskit, the physics-inspired Hamiltonian Variational ansätz (HVA) and HVA with symmetry breaking, and benchmark their performance using energy variance, entanglement entropy, spin correlations, and magnetization. We further discuss the implications for scaling these methods to larger quantum systems.
Variational quantum algorithms recast state preparation as classical nonconvex optimization, but it is often unclear when multistart local search suffices and when population-based global search justifies its evaluation cost. Using a landscape-first design, controlled QAOA experiments identify two mechanisms making local search unreliable: parameter reuse across circuit layers and competition between 2-local and 3-local cost terms. Increasing QAOA depth alone does not replicate this effect. We test these mechanisms across eight unseen spin glasses, fresh N=10N=10N=10 and N=12N=12N=12 instances, and standard MaxCut, transverse-field Ising, and Heisenberg models. On all eight unseen spin glasses, adaptive differential evolution (DE) achieves lower median error than both multistart BFGS and multistart Powell on the two difficult constructions, whereas the independent-depth control does not. The parameter-reuse effect transfers to MaxCut at both sizes, while standard VQE models remain favorable to local search. A pre-benchmark landscape score combining random-start local outcomes and 1D parameter slices is fixed from confirmation data before evaluating new optimizers. It predicts whether adaptive DE outperforms multistart BFGS by over one spectral-range percentage point on 50 new quantum objectives with 80--86% condition-level accuracy. The clearest indicator of global-search utility is that local search frequently traps in inferior basins, rather than circuit depth or curvature anisotropy. The findings motivate whether quantum circuit complexity can be traded for harder classical optimization when robust global search is available.
Variational quantum algorithms turn choices of Hamiltonian, ansatz, and parameterization into a classical nonconvex optimization problem. We study how this objective function can be visualized and characterized in ways that help explain optimizer behavior. We distinguish two properties of the objective: the number of local minima encountered along sampled directions and the differences in quality among local-search endpoints. We then ask how a local optimizer, represented by BFGS, compares with adaptive differential evolution, represented by jSO. Rather than comparing jSO with a single local run, we allow BFGS multiple starts within the same function-evaluation budget. This gives local search repeated opportunities to explore different basins and provides a stronger baseline for asking when a global evolutionary solver is useful. We study these questions using VQE and QAOA, focusing on how frustra- tion, circuit depth, parameter tying, mixed locality, and nonlinear repa- rameterization change the Hamiltonian expectation-value objective seen by the classical optimizer. Increasing independent circuit depth raises the sampled local-minimum count without making global search more effective. Parameter tying, by contrast, produces both more repeated local structure and much larger differences in quality among local-search endpoints, and in this regime adaptive differential evolution outperforms function-evaluation-matched multistart BFGS. The comparison shows that the number of local minima alone does not determine whether global search is advantageous: the important distinction is whether different basins lead to similarly good solutions or to substantially different objective values. These results provide a practical workflow for connecting model construction, objective- function geometry, empirical diagnostics, and optimizer choice.
The Variational Quantum Eigensolver (VQE) is a fundamental algorithm in quantum computing, yet a coherent geometric characterization of VQE remains missing due to fragmented analyses across fixed-ansatz and adaptive-circuit formulations. In this paper, we establish a geometric analysis of VQE in terms of optimization landscape, initialization guarantee, and noise robustness. First, we study the optimization landscape via an ansatz-free product-unitary formulation over the unitary group, unifying both paradigms. For the single-unitary case, we establish linear convergence of Riemannian gradient descent (RGD) and prove the strict saddle property. For the product-unitary case, we show the convergence rate deteriorates polynomially with circuit depth, providing a geometric explanation of the barren plateau phenomenon. Second, we prove that small-angle random Pauli-rotation circuits satisfy the required initialization conditions with high probability. Third, we show that RGD retains linear convergence under finite-shot measurements, and that coefficient-adaptive allocation achieves strictly lower statistical error than uniform sampling under a fixed measurement budget.
Abstract The variational quantum eigensolver (VQE) is a fundamental algorithm in quantum computing, yet its theoretical understanding remains fragmented across fixed-ansatz and adaptive-circuit formulations, which are typically analyzed using different frameworks. As a result, a coherent geometric characterization of the VQE remains missing. In this paper, we establish a geometric analysis of VQE in terms of optimization landscape, initialization guarantee, and noise robustness. First, from a Riemannian geometric perspective, we study the optimization landscape via an ansatz-free product-unitary formulation over the unitary group, where each layer unitary is treated as an independent optimization variable, thereby capturing both fixed-ansatz and adaptive-circuit paradigms. For the single-unitary case, we establish explicit linear convergence guarantees for Riemannian gradient descent (RGD) under proper initialization and characterize the global landscape by proving that every critical point is either a global minimum or a strict saddle point. For the product-unitary case, we extend the convergence analysis of RGD and show that the convergence rate deteriorates polynomially with circuit depth, providing a convergence-theoretic explanation of the barren plateau phenomenon through the interplay between Hilbert-space geometry, target-unitary complexity, per-layer expressivity, and circuit depth. Second, we analyze initialization guarantees for the above convergence results. We consider a practical variational circuit composed of small-angle random Pauli rotations and prove that this initialization scheme satisfies the required geometric conditions with high probability. We further characterize how the resulting initialization error depends on the reference state, circuit depth, and random angles. Third, we study robustness under finite-shot measurements for VQE with Pauli-decomposed Hamiltonians. We show that RGD retains linear convergence up to a noise-dominated neighborhood of the global minimizer. Moreover, we extend the analysis to non-uniform measurement allocation under a fixed measurement budget and show that coefficient-adaptive allocation achieves strictly lower statistical error than uniform sampling. Together, these results provide a systematic geometric characterization of the optimization, initialization, and measurement behavior of VQE, offering new insights into its trainability and robustness.
Geometric frustration, arising from competing interactions that prevent simultaneous energy minimization, presents a fundamental challenge for variational quantum algorithms applied to quantum many-body systems. We investigate the transverse-field Ising model on a square lattice with frustrated diagonal coupling and show that geometric frustration leads to strongly inhomogeneous correlations that are difficult to capture using standard Hamiltonian-inspired ansätze with global parameters. As a result, the required circuit depth increases significantly in the intermediate-field regime. We demonstrate that this limitation is not caused by optimization difficulties such as barren plateaus, but instead arises from insufficient expressibility of the ansatz. By introducing bond-resolved variational parameters, we recover accurate results at reduced circuit depth. We also study low-energy excitations and find that near-degenerate spectra in the frustrated regime further challenge variational methods. Our results provide a clear physical explanation for the limitations of variational quantum algorithms in frustrated systems and suggest improved ansatz design strategies for quantum simulation.