Ansatz selection is a key factor in the performance of variational quantum algorithms (VQAs). While much of the state-of-the-art still relies on heuristic choices, an inadequate circuit structure can compromise both the expressive power and the trainability of the resulting model. Recent results have also established theoretical connections between expressibility and the onset of barren plateaus, highlighting the need for systematic criteria for ansatz selection. In this work, the ansatz is treated as a design feature to be optimized rather than a fixed block, and a design space exploration (DSE) is performed over a diverse set of parametrized quantum circuits (PQCs). Three complementary metrics -- expressibility, trainability, and resource cost -- are evaluated and used to analyze the trade-offs that emerge across different PQCs. Beyond identifying Pareto-optimal candidates, this multi-objective perspective helps clarify the interplay between these metrics and contributes quantitative evidence toward understanding the expressibility--trainability tension in variational circuits.
Ansatz selection is a key factor in the performance of variational quantum algorithms (VQAs). While much of the state-of-the-art still relies on heuristic choices, an inadequate circuit structure can compromise both the expressive power and the trainability of the resulting model. Recent results have also established theoretical connections between expressibility and the onset of barren plateaus, highlighting the need for systematic criteria for ansatz selection. In this work, the ansatz is treated as a design feature to be optimized rather than a fixed block, and a design space exploration (DSE) is performed over a diverse set of parametrized quantum circuits (PQCs). Three complementary metrics -- expressibility, trainability, and resource cost -- are evaluated and used to analyze the trade-offs that emerge across different PQCs. Beyond identifying Pareto-optimal candidates, this multi-objective perspective helps clarify the interplay between these metrics and contributes quantitative evidence toward understanding the expressibility--trainability tension in variational circuits.
Variational quantum algorithms (VQAs) are a leading framework for realizing quantum advantages in the Noisy Intermediate-Scale Quantum (NISQ) era, with applications spanning discrete combinatorial problems and continuous optimization. While the topologies of parameterized quantum circuits (ansatzes) fundamentally govern both expressibility and trainability in continuous landscapes, existing reviews predominantly focus on static algorithmic classifications or discrete settings, leaving the structural evolution and practical limitations of ansatz architectures insufficiently explored. To address this gap, this review presents a systematic analysis of variational ansatz architectures, tracing their progression from static, pre-defined topologies to adaptive growth mechanisms. Beyond traditional gradient-driven and architecture-search paradigms, we evaluate supplementary strategies such as layerwise training and noise-adaptive construction, revealing inherent vulnerabilities such as local minima entrapment and the compilation overhead induced by calibration drift. The mathematical foundations of VQAs are outlined, and representative fixed ansatz architectures, including hardware-efficient, physics-inspired, and problem-specific designs, are characterized within continuous-domain mappings. Intrinsic limitations arising from barren plateaus (BPs) and noise-induced barren plateaus (NIBPs) are analyzed, revealing the fundamental coupling between circuit depth, parameter scaling, and trainability degradation. Furthermore, adaptive construction strategies and recent advances in automated variational quantum architecture search (VQAS) are examined. Through the synthesis of intrinsic limitations (BPs, NIBPs, and hardware-algorithm coupling) and the evaluation of standardized benchmarking protocols, this review rigorously assesses the resource trade-offs of current VQA frameworks. Ultimately, next-generation ansatz design will adopt hardware–software co-design principles grounded in physical constraints, enabling scalable and noise-resilient quantum optimization.
Variational quantum algorithms (VQAs) rely on parameterized quantum circuits (PQCs), whose performance is governed by expressibility and trainability. Existing studies typically evaluate these properties at the logical circuit level, implicitly assuming that designed PQCs remain unchanged during hardware execution. In practice, however, hardware-aware transpilation modifies circuit structure through qubit mapping, routing, and basis decomposition, potentially altering PQC behavior. In this paper, we perform a systematic hardware-aware analysis of expressibility and trainability by comparing logical and transpiled PQCs across multiple ansatz families, qubit counts, and circuit depths. Expressibility is measured using fidelity-based KL divergence, while trainability is quantified through gradient variance. Our results show that transpilation acts as an implicit architectural perturbation, producing strongly ansatz-dependent effects. Expressibility deviations exceed upto 125% in some cases, while trainability variations reach up to 25%. Structured ansatzes are generally more robust, whereas highly entangled architectures are more sensitive to transpilation-induced transformations. We further show that transpilation can alter the commonly assumed expressibility-trainability trade-off, demonstrating that logical-level analyses may not reliably predict hardware-level behavior. These findings highlight the importance of hardware-aware evaluation for accurate characterization of VQAs.
Whether parameterized quantum circuits (PQCs) can be systematically constructed to be both trainable and expressive remains an open question. Highly expressive PQCs often exhibit barren plateaus, while several trainable alternatives admit efficient classical simulation. We address this question by deriving a finite-sample, dimension-independent concentration bound for estimating the variance of a PQC cost function, yielding explicit trainability guarantees. Across commonly used ansätze, we observe an anticorrelation between trainability and expressibility, consistent with theoretical insights. Building on this observation, we propose a property-based ansatz-search framework for identifying circuits that combine trainability and expressibility. We demonstrate its practical viability on a real quantum computer and apply it to variational quantum algorithms. We identify quantum neural network ansätze with improved effective dimension using over 6× fewer parameters, and for VQE on H2 we achieve UCCSD-like accuracy at substantially reduced circuit complexity.
Hybrid quantum neural networks (HQNNs) integrate parameterized quantum circuits (PQCs) within classical networks, where the behavior of the underlying PQCs is often the primary focus of analysis. In this context, expressibility and trainability are widely used to characterize PQC's performance and are commonly assumed to exhibit a trade-off, where highly expressive circuits are more susceptible to barren plateaus. However, the validity of this relationship in HQNNs remains unclear. In this paper, we systematically analyze the expressibility--trainability relationship in HQNNs across varying circuit depths, qubit counts, entanglement topologies. We consider different training configurations, including pure PQCs, quantum-only training in hybrid setting, and full end-to-end training of hybrid models. Our results show that pure PQCs exhibit only a weak and regime-dependent trade-off, while hybrid architectures increasingly disrupt and can eliminate this relationship under full hybrid training. This indicates that classical components reshape the optimization landscape, decoupling trainability from PQC expressibility. We further propose a multi-objective neural architecture search (NAS) framework that jointly optimizes expressibility, trainability, and task performance over a combined classical--quantum design space, revealing different Pareto-optimal solutions under full end-to-end and quantum only training in hybrid setting. different trainability definitions. Our results suggest that hybridization is not just an implementation detail, but a defining factor in the performance of quantum machine learning models.
Abstract Variational quantum algorithms (VQAs) are expected to be a path to quantum advantages on noisy intermediate-scale quantum devices. However, both empirical and theoretical results exhibit that the deployed ansatz heavily affects the performance of VQAs such that an ansatz with a larger number of quantum gates enables a stronger expressivity, while the accumulated noise may render a poor trainability. To maximally improve the robustness and trainability of VQAs, here we devise a resource and runtime efficient scheme termed quantum architecture search (QAS). In particular, given a learning task, QAS automatically seeks a near-optimal ansatz (i.e., circuit architecture) to balance benefits and side-effects brought by adding more noisy quantum gates to achieve a good performance. We implement QAS on both the numerical simulator and real quantum hardware, via the IBM cloud, to accomplish data classification and quantum chemistry tasks. In the problems studied, numerical and experimental results show that QAS cannot only alleviate the influence of quantum noise and barren plateaus but also outperforms VQAs with pre-selected ansatze.
Variational quantum algorithms (VQAs) have established themselves as a central computational paradigm in the Noisy Intermediate-Scale Quantum (NISQ) era. By coupling parameterized quantum circuits (PQCs) with classical optimization, they operate effectively under strict hardware limitations. However, as quantum architectures transition toward early fault-tolerant (EFT) and ultimate fault-tolerant (FT) regimes, the foundational principles and long-term viability of VQAs require systematic reassessment. This review offers an insightful analysis of VQAs and their progression toward the fault-tolerant regime. We deconstruct the core algorithmic framework by examining ansatz design and classical optimization strategies, including cost function formulation, gradient computation, and optimizer selection. Concurrently, we evaluate critical training bottlenecks, notably barren plateaus (BPs), alongside established mitigation strategies. The discussion then explores the EFT phase, detailing how the integration of quantum error mitigation and partial error correction can sustain algorithmic performance. Addressing the FT phase, we analyze the inherent challenges confronting current hybrid VQA models. Furthermore, we synthesize recent VQA applications across diverse domains, including many-body physics, quantum chemistry, machine learning, and mathematical optimization. Ultimately, this review outlines a theoretical roadmap for adapting quantum algorithms to future hardware generations, elucidating how variational principles can be systematically refined to maintain their relevance and efficiency within an error-corrected computational environment.