AutoQuREO: A Framework for Automated Quantum Resource Estimation and Optimization

As quantum computing progresses from proof-of-principle demonstrations toward practical utility, a significant impediment is the need to augment algorithmic feasibility with system-level optimization across heterogeneous hardware and software stacks. Quantum resource estimation (QRE) plays a central role in this transition, yet existing approaches remain largely compilation-heavy or domain-knowledge-guided symbolic annotations, and tightly coupled to long-term fault-tolerant assumptions, limiting their topical applicability. In this work, we introduce AutoQuREO, an Automated framework for full-stack Quantum Resource Estimation and Optimization. AutoQuREO is built around four core novelties: (i) a flexible, user-defined abstraction of the quantum computing stack; (ii) a modular library of reusable stack components enabling rapid full-stack prototyping; (iii) surrogate modeling of layer-wise resources via algorithmic profiling and neuro-symbolic learning; and (iv) integrated multi-objective optimization that embeds QRE directly into deployment pipelines. Together, these design choices enable AutoQuREO to serve as a digital twin for quantum computing stacks, supporting the tractable exploration of complex design spaces. We demonstrate the capabilities of AutoQuREO through representative co-design case studies, including early-fault-tolerant quantum algorithms, small error correction codes, gate decomposition and variational training of parametric quantum circuits. These examples illustrate how AutoQuREO enables systematic discovery of unexploited resource trade-offs that are computationally intractable or abstruse using existing QRE tools. AutoQuREO is positioned as a general-purpose platform for advancing quantum technology readiness.

Model selection in hybrid quantum neural networks with applications to quantum transformer architectures

Quantum machine learning models generally lack principled design guidelines, often requiring full resource-intensive training across numerous choices of encodings, quantum circuit designs and initialization strategies to find effective configuration. To address this challenge, we develope the Quantum Bias-Expressivity Toolbox ($\texttt{QBET}$), a framework for evaluating quantum, classical, and hybrid transformer architectures. In this toolbox, we introduce lean metrics for Simplicity Bias ($\texttt{SB}$) and Expressivity ($\texttt{EXP}$), for comparing across various models, and extend the analysis of $\texttt{SB}$ to generative and multiclass-classification tasks. We show that $\texttt{QBET}$ enables efficient pre-screening of promising model variants obviating the need to execute complete training pipelines. In evaluations on transformer-based classification and generative tasks we employ a total of $18$ qubits for embeddings ($6$ qubits each for query, key, and value). We identify scenarios in which quantum self-attention variants surpass their classical counterparts by ranking the respective models according to the $\texttt{SB}$ metric and comparing their relative performance.

Enhancing variational quantum algorithms by balancing training on classical and quantum hardware

Quantum computers offer a promising route to tackling problems that are classically intractable such as in prime-factorization, solving large-scale linear algebra and simulating complex quantum systems, but require fault-tolerant quantum hardware. On the other hand, variational quantum algorithms (VQAs) have the potential to provide a near-term route to quantum utility or advantage, and is usually constructed by using parametrized quantum circuits (PQCs) in combination with a classical optimizer for training. Although VQAs have been proposed for a multitude of tasks such as ground-state estimation, combinatorial optimization and unitary compilation, there remain major challenges in its trainability and resource costs on quantum hardware. Here we address these challenges by adopting Hardware Efficient and dynamical LIe algebra Supported Ansatz (HELIA), and propose two training schemes that combine an existing g-sim method (that uses the underlying group structure of the operators) and the Parameter-Shift Rule (PSR). Our improvement comes from distributing the resources required for gradient estimation and training to both classical and quantum hardware. We numerically test our proposal for ground-state estimation using Variational Quantum Eigensolver (VQE) and classification of quantum phases using quantum neural networks. Our methods show better accuracy and success of trials, and also need fewer calls to the quantum hardware on an average than using only PSR (upto 60% reduction), that runs exclusively on quantum hardware. We also numerically demonstrate the capability of HELIA in mitigating barren plateaus, paving the way for training large-scale quantum models.