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arXiv:2607.19318

SoK: Adversarial Robustness of the Variational Quantum Eigensolver via Red-Teaming

Ahmed Azaz Humdoon, Cheng Chu, Lei Jiang, Qian Lou, Mengxin Zheng

quant-phcs.CRSubmitted Jul 21, 2026• Announced Jul 22, 2026• 0 citations
arXivHTMLPDF

Abstract

The Variational Quantum Eigensolver (VQE) is a leading algorithm for estimating molecular ground-state energies on near-term quantum hardware, with applications spanning quantum chemistry, materials science, and drug discovery. As VQE workloads are increasingly deployed through cloud-based ``VQE-as-a-service'' pipelines, they become exposed to adversaries such as compromised service components, malicious co-tenants, or insiders in the transpilation stack, any of which can corrupt results before they reach the user. A range of attacks on variational quantum circuits has been proposed, but each has been studied in isolation: some on quantum classifiers with accuracy-based metrics, others on variational quantum algorithms with energy-error metrics. This lack of a common evaluation setup makes their relative severity difficult to compare and leaves the security of VQE poorly characterized. In this work, we present \textbf{VQE-AdvBench}, the first unified red-teaming benchmark for the Variational Quantum Eigensolver, systematizing these attacks under a single evaluation protocol to rigorously assess VQE's adversarial robustness. We organize attacks along a black-, gray-, and white-box access taxonomy, and evaluate seven representative attack scenarios -- the QTrojan circuit backdoor, the QDoor parameter backdoor, parameter-space adaptations of FGSM and PGD, and three QNBAD noise-induced variants -- over a fixed molecule-ansatz-backend-metric configuration, on H$_2$ and H$_3^+$ across five noise-calibrated IBM backends. Our results reveal a clear severity ordering: noise-induced attacks that manipulate the Zero-Noise Extrapolation (ZNE) pipeline are the most damaging (up to 8.84$\times$ error amplification), followed by the QTrojan circuit-level backdoor (7.52$\times$), while the QDoor parameter-level backdoor is the least effective, yielding only marginal amplification (up to 1.37$\times$).

Comments
Accepted by QCE26 2nd Workshop on QC Security, Privacy & Resilience (Q-Sec)

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Benchmarking noisy quantum computers for variational workloads requires more than a single best energy number: two backends may reach similar energies while differing sharply in convergence speed, stability, and parameter sensitivity. We present a compact uncertainty quantification driven benchmarking study for the Variational Quantum Eigensolver (VQE), combining Bayesian optimization with Metropolis-Hastings refinement to search a backend conditioned VQE landscape and characterizing each backend by its best observed energy, evaluations to target, objective dispersion, and Sobol sensitivity fingerprint. On a 92 parameters LiH VQE across seven IBM fake backends, Brisbane wins overall (best energy 1.0207, top normalized quality), Kyoto matches its energy but converges five times more slowly, and Osaka trades a modest energy penalty for near optimal speed and low dispersion. The Sobol fingerprints further show that the dominant VQE parameters differ across backends, indicating backend specific robust regions rather than a universal calibration. Uncertainty quantification therefore provides a practical application level view of backend quality for near term variational workloads.
Accurate prediction of binding energies between drug candidates and target molecules is essential in computational drug discovery, as stronger (more negative) binding energies suggest higher efficacy. This energy corresponds to the ground state of the molecular system and can be computed using methods such as Full Configuration Interaction (FCI), Hartree-Fock (HF), Variational Quantum Eigensolver (VQE), and Quantum Phase Estimation (QPE). While FCI offers benchmark accuracy, its computational cost renders it impractical for larger systems. HF scales efficiently but at the expense of precision. QPE, though theoretically robust, is currently constrained by hardware limitations. VQE emerges as a practical alternative for Noisy Intermediate-Scale Quantum (NISQ) devices, balancing accuracy and feasibility. Nevertheless, quantum noise significantly affects VQE performance. To address this, we incorporate Zero Noise Extrapolation (ZNE) to mitigate errors and improve energy estimates. This study compares these approaches and demonstrates the efficacy of the VQEZNE framework in generating reliable binding energy calculations for drug design applications.
Abstract Quantum computers are expected to be highly beneficial for chemistry simulations, promising significant improvements in accuracy and speed. The most prominent algorithm for chemistry simulations on NISQ devices is the Variational Quantum Eigensolver (VQE). It is a hybrid quantum-classical algorithm which calculates the ground state energy of a Hamiltonian based on parametrized quantum circuits, while a classical optimizer is used to find optimal parameter values. However, quantum hardware is affected by noise, and it needs to be understood to which extent it can degrade the performance of the VQE algorithm. In this paper, we study the impact of noise on the example of the hydrogen molecule. First, we compare the VQE performance for a set of various optimizers, from which we find NFT to be the most suitable one. Next, we quantify the effect of different noise sources by systematically increasing their strength. The noise intensity is varied around values common to superconducting devices of IBM Q, and curve fitting is used to model the relationship between the obtained energy values and the noise magnitude. Since the amount of noise in a circuit highly depends on its architecture, we perform our studies for different ansatzes, including both hardware-efficient and chemistry-inspired ones. Finally, we compare our results from noisy simulations with experiments on different IBM hardware devices.
The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high accuracy would have a profound impact on material and biochemical science with potential applications e.g., to the development of new drugs. However, considering the variety of quantum hardware architectures, it is still uncertain which hardware concept is most suited to execute the VQE for e.g., the simulation of molecules. Aspects to consider here are the required connectivity of the quantum circuit used, the size and the depth and thus the susceptibility to noise effects. Besides theo-retical considerations, empirical studies using available quantum hardware may help to clarify the question of which hardware technology might be better suited for a certain given application and algorithm. Going one step into this direction, within this work, we present results using the VQE for the simulation of the hydrogen molecule, comparing superconducting and ion trap quantum computers. The experiments are carried out with a standardized setup of ansatz and optimizer, selected to reduce the number of required iterations. The findings are analyzed considering different quantum processor types, calibration data as well as the depth and gate counts of the circuits required for the different hardware concepts after transpilation.
Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the noisy intermediate-scale quantum (NISQ) era. In this study, we investigate the capabilities and limitations of VQE algorithms implemented on current quantum hardware for determining molecular ground-state energies, focusing on the adaptive derivative-assembled pseudo-Trotter ansatz VQE (ADAPT-VQE). To address the significant computational challenges posed by molecular Hamiltonians, we explore various well known strategies to simplify the Hamiltonian, optimize the ansatz, and improve classical parameter optimization through modifications of the COBYLA optimizer. These enhancements are integrated into a tailored quantum computing implementation designed to minimize the circuit depth and computational cost. Using benzene as a benchmark system, we demonstrate the application of these optimizations on an IBM quantum computer. Despite these improvements, our results highlight the limitations imposed by current quantum hardware, particularly the impact of quantum noise on state preparation and energy measurement. The noise levels in today's devices prevent meaningful evaluations of molecular Hamiltonians with sufficient accuracy to produce reliable quantum chemical insights. Finally, we extrapolate the requirements for future quantum hardware to enable practical and scalable quantum chemistry calculations using VQE algorithms. This work provides an assessment of current quantum algorithms for molecular modeling on real quantum hardware, highlighting the impact of noise and hardware limitations on the achievable accuracy.