Quantum Circuit Synthesis

Efficient quantum circuit compilation is challenging for quantum computers, where limited qubit connectivity can introduce substantial overhead in the implementation of logical operations. Recent AI-assisted synthesis methods have shown considerable potential for reducing circuit complexity, but their role in uncovering principles that can guide the design of new deterministic compilation algorithms remains largely unexplored. In this work, we investigate this perspective for the synthesis of quantum permutations into CNOT circuits under constrained qubit connectivity. Using AlphaCNOT as an exploratory tool, we identify a recurring decomposition for remote transpositions that improves on the construction based on adjacent SWAP routing. For two qubits at graph distance $d>1$, the discovered pattern yields a topology-legal implementation using at most $6d-4$ CNOT gates, compared to the $6d-3$ gates required by the corresponding SWAP-based construction. We formalize this observation through a constructive proof to define Global Transpositions, a deterministic synthesis method that searches for a minimum-cost decomposition of an entire permutation into topology-aware logical transpositions. The resulting method subsumes optimal SWAP routing within its synthesis model and provides certified upper bounds on the topology-constrained CNOT cost. Our experiments also reveal circuits that cannot be expressed as concatenations of independently synthesized transpositions. Instead, these circuits exploit intermediate linear transformations that temporarily leave the permutation subgroup and combine partial effects of multiple logical operations, a mechanism we call intermediate CNOT fusion. Our results show that AI-assisted synthesis can support not only circuit optimization, but also the discovery of reusable identities, provable constructions, and hidden mechanisms in quantum circuit compilation.

Significant efforts are currently being directed toward the implementation of large-scale quantum information processors, but realizing useful quantum advantage also requires the development of efficient quantum algorithms. While for many practical problems the dominant resource costs are associated with a small set of computational primitives, optimizing them in the quantum setting presents unique challenges, including a reversibility constraint absent from ordinary classical computation. Here we introduce an evolutionary framework in which large language models (LLMs) propose circuit designs and an independent evaluator verifies and scores them. We apply this framework to tasks spanning numerical computation, chemistry, optimization, quantum simulation, and number theory. In seven of the eight tasks, the discovered circuits significantly reduce both Toffoli and qubit counts relative to the state of the art. In the eighth, the search discovers a new reversible architecture for prime-field modular inversion. By handling reversibility differently, the architecture makes divsteps -- a classical algorithm previously impractical for reversible integer arithmetic -- viable and substantially improves the Toffoli-qubit trade-off for modular inversion. These results open the door for evaluator-guided LLM co-design of new algorithmic structures for quantum computation.

Scientific code generation can produce executable programs that fail to compute the intended scientific object. We study this problem in language-model synthesis of Clifford circuits, which prepare the stabilizer states used in quantum error correction and admit exact classical verification. In our target-conditioned framework, each target is given as compact signed stabilizer generators, and an exact verifier checks the generated OpenQASM circuits. We supervise models with Aaronson-Gottesman chain-of-thought (AG-CoT) traces checked by the verifier, and continue training on model generations that the verifier accepts. Across two independently trained model families (3B and 7B), AG-CoT supervision multiplies greedy-decode state-equivalence accuracy by four to six times over circuit-only baselines, and verifier-filtered continuation training adds a further consistent gain atop both. A complementary 32B study shows that supervised models achieve near-perfect syntax and Clifford validity while the strongest direct model reaches 6.14% state equivalence per target, rising to over 10% under verifier-guided selection with multiple candidates. These results show that algorithmic trace supervision gives a large, statistically significant gain in both model families and that verifier-filtered continuation adds a further repeated gain. The persistent gap between Clifford validity and state equivalence confirms that exact verification is necessary: a circuit can be syntactically and physically valid yet prepare the wrong quantum state.

Quantum circuits are central to implementing quantum algorithms on quantum devices, where quantum gates must be reversible. Many quantum algorithms rely on Boolean functions, which must therefore be implemented reversibly within quantum circuits. Reversible circuit synthesis provides a way to translate such Boolean functions into reversible circuits. Binary decision diagrams (BDDs) offer a scalable approach to this task, but the resulting BDDs and circuits depend heavily on variable ordering. Existing ordering heuristics commonly minimize BDD size because it is closely tied to the circuit size. However, BDD size is an imperfect proxy for the quantum cost of the synthesized circuit (QCC). We propose QuantumEvo, an evolutionary framework that uses an LLM as a heuristic generator for QCC-aware BDD variable ordering. Instead of predicting orderings directly, QuantumEvo searches over ordering heuristics initialized from multiple heuristic families. Candidate heuristics directly manipulate variable orderings using standard BDD operations and are selected by downstream QCC. The discovered heuristic, HGA-QE, modifies the sifting step inside a genetic algorithm so that the procedure is better aligned with QCC. Across the benchmark set, HGA-QE achieves a 70.9% tie-or-win rate against the per-function best baseline and is strictly best on 13.5% of the functions. The results demonstrate broadly competitive QCC performance, with HGA-QE showing a clearer relative advantage in strict wins on the two benchmark suites drawn from sources different from the data used for heuristic discovery.

Effective implementation of high-level quantum gates is essential for practical quantum computing. In this work, we presented, to the best of our knowledge, the first reported 12-CNOT decomposition of the double qubit excitation operator. We compared our new circuit with the previous SOTA 13-CNOT circuits in 4 different metrics. Our new circuit has the lowest CNOT count (12), lowest CNOT depth (8, roughly 27% reduction), and lowest total circuit depth (15, 25% reduction) among all the previous SOTA circuits. With output qubit relabeling, the CNOT depth can be further reduced to 7 (roughly 36% reduction from 11). Further, we only added 2 extra 1q gates (from 11 to 13) compared to the best of the SOTA circuits. As the double qubit excitation operator can be used as a building block hundreds or thousands of times in practical quantum algorithms, any reduction in such primitives compounds over the full circuit, resulting in significant overall resource savings.

Quantum state preparation is a key component of many quantum algorithms. Performing this step efficiently is essential for realizing practical quantum advantage in quantum chemistry applications. Iterative algorithms like ADAPT-VQE can produce shallow ground-state preparation circuits, but become computationally prohibitive for the larger molecules relevant to materials science and pharmaceutical development. Here, we introduce ADAPT-GQE, a generative AI framework that learns to synthesize ground-state preparation circuits for electronic structure calculations. We first use ADAPT-VQE to generate high-quality reference circuits, which are then used as targets for training models for circuit generation. Once trained, the model can efficiently propose and score circuits, enabling reinforcement learning (RL) to drive circuit generation accuracy beyond the accuracy of the ADAPT-VQE training data. This pipeline achieves order-of-magnitude reductions in circuit generation time relative to ADAPT-VQE while maintaining comparable or improved state-preparation accuracy. We demonstrate ADAPT-GQE on imipramine, a well-established tricyclic antidepressant that serves as a representative, challenging target for computational modelling in drug stability protocols. We execute generated circuits on Quantinuum Helios-1, representing a milestone for AI-generated quantum chemistry circuits on state-of-the-art quantum hardware. These results establish a pathway toward automated quantum circuit synthesis for utility-scale quantum computational chemistry.

While combinatorial optimization problems are central to many scientific and engineering applications, their solution remains challenging due to exponentially large search spaces. Variational quantum algorithms offer a promising route for tackling such problems, yet their practical performance is limited by repeated quantum circuit evaluations and classical parameter updates. In this work, we introduce DQAOA-GPT, a hybrid framework that integrates the distributed quantum approximate optimization algorithm (DQAOA), which decomposes a large optimization problem into smaller sub-problems, with GPT-based quantum circuit generation for solving those sub-problems. Rather than relying on iterative variational optimization, the proposed approach uses a trained generative model to directly generate high-quality quantum circuits for the decomposed sub-problems. As a benchmark, we evaluate DQAOA-GPT against conventional DQAOA on dense HUBO optimization problems with up to 100 decision variables. The results demonstrate that DQAOA-GPT significantly reduces computational cost while maintaining competitive solution quality, with larger acceleration observed for larger sub-problem sizes. Although this work focuses on benchmark-scale validation, the framework provides a promising foundation for larger-scale combinatorial optimization in hybrid HPC-QC environments through increased GPU resources and parallel computing capability.

Quantum circuit optimization for fault-tolerant computing requires exact functional equivalence while minimizing expensive non-Clifford resources such as T gates. We study this problem using a compact 44.8M-parameter encoder-decoder transformer with structured circuit tokenization, evaluating on parameterized circuits (2-6 qubits) and Clifford+T circuits (3-6 qubits). On parameterized circuits, a hybrid approach -- structure from the transformer, angles from classical optimization -- achieves median fidelity 1.000 on 3-6 qubit circuits. On Clifford+T circuits, where all gates are discrete and no post-processing is possible, the model learns valid syntax and accurate T-Count statistics, yet exact equivalence degrades sharply with target length -- from 88% on circuits with <=9 gates to near zero beyond 26 gates. We trace this failure to autoregressive drift: early-token divergence cascading irrecoverably through left-to-right decoding. Two levers partially mitigate the drift: inference-time strategies that generate multiple candidates and select via equivalence verification raise exact-match rates from 7% to 22.5%, while scaling training data by 2.5x pushes them to 39.5%. Yet the degradation with target length persists -- even with more data, exact equivalence drops from 94% on short circuits to under 4% beyond 26 gates. The contrast between settings is our central finding: when approximate outputs can be rescued by post-processing, the transformer succeeds; when exact discrete correctness is required, autoregressive drift limits reliability, with both inference-time search and data scaling as effective levers while training-side fine-tuning and model-level diversification are not.

An important task in quantum computing is unitary circuit synthesis compatible with physical hardware constraints. This problem has a natural hybrid structure as local single-qubit gates are continuous variables on the Lie group $SU(2)$ while the entangling circuit structure is discrete and hardware-dependent. In this work, we use generative models to perform quantum circuit synthesis incorporating both the natural $SU(2)$ manifold geometry of quantum gates and hardware constraints that determine the overall circuit structure. Our model comprises two components: a circuit skeleton selector that chooses an entangling circuit and a diffusion model that generates quantum gates on the given circuit template by performing diffusion on the curved manifold $\mathrm{SU(2)} \simeq S^3$ itself. We demonstrate this approach with unitary compilation of physically motivated three-qubit Hamiltonian simulation targets such as the Transverse Field Ising Model and the Heisenberg-XXZ Model and show that Lie group diffusion outperforms comparable baselines. The synthesised circuits can also be customised subject to constraints, which we demonstrate by producing circuits with large and small gate rotation angles for the same target unitary evolution. We also investigate the fidelity-complexity frontier of the synthesised gates to demonstrate that the circuit selector learns to select circuits that balance fidelity with complexity rather than collapsing onto the most expansive entangling template. These results demonstrate that Lie group diffusion provides a natural generative framework for hardware-aware quantum circuit synthesis.

Can Large Language Models (LLMs) understand and reason about quantum operators? Despite their remarkable capabilities in mathematics and symbolic reasoning, LLMs remain inherently blind to quantum representations such as unitary matrices. In this work, we take a step toward bridging this gap by introducing an approach that maps unitary operators into the latent space of an LLM, enabling unified modeling over quantum and linguistic inputs. We instantiate this idea on Clifford+T circuit synthesis over a Pauli rotation gate set, where our model achieves results competitive with state-of-the-art methods and scales consistently with training data, with no signs of saturation. Our approach further enables language-conditioned synthesis, allowing gate constraints unseen during training to be specified directly in natural language. This work suggests a path toward quantum--aware foundation models that can natively interpret and reason about quantum operations, which could have broader implications reaching across quantum compilation and algorithm discovery.

Trotter Suzuki product formulas are the standard route to Hamiltonian evolution on noisy intermediate-scale quantum (\NISQ{}) hardware, but their accuracy depends on three coupled choices: term grouping, product-formula order, and time-step allocation. Grouping and order are discrete, which makes direct gradient optimization infeasible and forces existing compilers to rely on static heuristics. We describe P-GONE, a method that combines a conditional diffusion model (D3PM + DDPM), a graph neural network (\GNN{}) encoder, and closed-loop REINFORCE fine-tuning to jointly learn grouping, order, and time-step optimization over a mixed discrete-continuous space. Under fidelity-matched conditions ($F \geq 0.95$), the method achieves circuit depth 86 versus 1673 for Qiskit fourth-order (ungrouped, Suzuki-4), about $19.4\times$ compression, and 141 for Paulihedral (first-order Trotter), about $1.6\times$ compression. At $T=0.90$ the method also beats the Qiskit group-commuting teacher (65 vs 103, $1.6\times$ compression), though at $T=0.95$ the teacher still leads -- a stratified pattern that points toward fidelity-aware fine-tuning. Under a standard depolarizing noise model, the method achieves noisy fidelity roughly $2\times$ the Qiskit fourth-order baseline (0.743 vs 0.380). Ablation shows a clear hierarchy: order learning $>$ time allocation $>$ grouping. Best-of-N sampling ($N=32$ is a practical sweet spot) and CFG guidance give flexible fidelity-depth trade-offs at inference. The method works well on structured Hamiltonians (TFIM, Heisenberg), but random Pauli Hamiltonians fail entirely at $T \geq 0.95$ -- a boundary that defines where the method applies.

We consider the problem of synthesizing Clifford quantum circuits for devices with all-to-all qubit connectivity. We approach this task as a reinforcement learning problem in which an agent learns to discover a sequence of elementary Clifford gates that reduces a given symplectic matrix representation of a Clifford circuit to the identity. This formulation permits a simple learning curriculum based on random walks from the identity. We introduce a novel neural network architecture that is equivariant to qubit relabelings of the symplectic matrix representation, and which is size-agnostic, allowing a single learned policy to be applied across different qubit counts without circuit splicing or network reparameterization. On six-qubit Clifford circuits, the largest regime for which optimal references are available, our agent finds circuits within one two-qubit gate of optimality in milliseconds per instance, and finds optimal circuits in 99.2% of instances within seconds per instance. After continued training on ten-qubit instances, the agent scales to unseen Clifford tableaus with up to thirty qubits, including targets generated from circuits with over a thousand Clifford gates, where it achieves lower average two-qubit gate counts than Qiskit's Aaronson-Gottesman and greedy Clifford synthesizers.

High-fidelity circuit execution on noisy intermediate-scale quantum devices is bottlenecked by compilation pipelines that disregard complex, correlated noise. To address this, this methodology article proposes a quantum machine learning control (QMLC) framework for generative quantum circuit synthesis from gate-set tomography (GST) data that bypasses the traditional two-step pipeline of characterizing native quantum gates via GST followed by unitary decomposition algorithms. Instead, a generative concept space is directly learnt from GST data, enabling conditional synthesis of quantum circuits on a desired output distribution. Our approach tokenizes GST germ circuits and embeds them into a structured latent space using a curriculum-learning-motivated strategy, starting with short circuits and progressively incorporating longer ones with diverse output statistics. The embedded sequences are processed by a set-vision transformer with permutation-invariant pooling, producing k-seed vectors that represent the learned concept space of the quantum device. Aggregating data across multiple circuits makes this latent representation inherently context-aware, capturing the shared physical noise environment (e.g., crosstalk, drift) that isolated gate metrics miss. We propose an unconditional diffusion model to sample from the concept space. During inference, a user provides a target measurement distribution, and the model generates a corresponding circuit. To ensure fidelity and robustness, the output is denoised using a diffusion model that operates on the target conditional covariance matrix. This end-to-end framework is a step towards context-aware, hardware-native circuit synthesis directly from raw GST data, which offers a new paradigm for integrating quantum control and compilation. The QMLC framework is particularly suited for near-term quantum devices with complex calibration procedures.

Quantum circuit optimization is a central task in quantum computing, as current NISQ devices suffer from error propagation that often scales with the number of operations. Among quantum operations, the CNOT gate is of fundamental importance, being the only two-qubit gate in the universal Clifford+T set. Minimizing CNOT gates is therefore particularly important, as these gates exhibit higher error rates and they typically introduce additional routing overhead due to hardware constraints. The problem of CNOT gate minimization has been addressed by heuristic algorithms such as the well-known Patel-Markov-Hayes (PMH) for linear reversible synthesis (i.e., CNOT minimization with no topological constraints), and more recently by Reinforcement Learning (RL) based strategies in the more complex case of topology-aware synthesis, where each CNOT can act on a subset of qubit pairs. We introduce AlphaCNOT, an RL framework based on Monte Carlo Tree Search that effectively addresses the CNOT minimization problem by modeling it as a planning problem. In contrast to other RL-based solutions, our method is model-based, i.e., it can leverage lookahead search to evaluate future trajectories, thus finding more efficient sequences of CNOTs. Our method achieves a reduction of up to 24.62% in CNOT count compared with the PMH baseline on linear reversible synthesis, and a consistent gate count reduction on different topologies with up to 8 qubits, also with respect to state-of-the-art RL-based solutions. Our results suggest the combination of RL with search-based strategies can be applied to different circuit optimization tasks, thus fostering the transition toward the "quantum utility" era.

The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but faces significant limitations. These include barren plateaus, restricted ansatz expressivity, and reliance on domain-specific structure. We present SpinGQE, an extension of the Generative Quantum Eigensolver (GQE) framework to spin Hamiltonians. Our approach reframes circuit design as a generative modeling task. We employ a transformer-based decoder to learn distributions over quantum circuits that produce low-energy states. Training is guided by a weighted mean-squared error loss between model logits and circuit energies evaluated at each gate subsequence. We validate our method on the four-qubit Heisenberg model, demonstrating successfulconvergencetonear-groundstates. Throughsystematichyperparameterexploration, we identify optimal configurations: smaller model architectures (12 layers, 8 attention heads), longer sequence lengths (12 gates), and carefully chosen operator pools yield the most reliable convergence. Our results show that generative approaches can effectively navigate complex energy landscapes without relying on problem-specific symmetries or structure. This provides a scalable alternative to traditional variational methods for general quantum systems. An open-source implementation is available at https://github.com/Mindbeam-AI/SpinGQE.

We review thirteen generative systems and five supporting datasets for quantum circuit and quantum code generation, identified through a structured scoping review of Hugging Face, arXiv, and provenance tracing (January-February 2026). We organize the field along two axes: artifact type (Qiskit code, OpenQASM programs, circuit graphs); crossed with training regime (supervised fine-tuning, verifier-in-the-loop RL, diffusion/graph generation, agentic optimization); and systematically apply a three-layer evaluation framework covering syntactic validity, semantic correctness, and hardware executability. The central finding is that while all reviewed systems address syntax and most address semantics to some degree, none reports end-to-end evaluation on quantum hardware (Layer 3b), leaving a significant gap between generated circuits and practical deployment. Scope note: quantum code refers throughout to quantum program artifacts (QASM, Qiskit); we do not cover generation of quantum error-correcting codes (QEC).

Unitary Synthesis, the decomposition of a unitary matrix into a sequence of quantum gates, is a fundamental challenge in quantum compilation. Prevailing reinforcement learning (RL) approaches are often hampered by sparse reward signals, which necessitate complex reward shaping or long training times, and typically converge to a single policy, lacking solution diversity. In this work, we propose QFlowNet, a novel framework that learns efficiently from sparse signals by pairing a Generative Flow Network (GFlowNet) with Transformers. Our approach addresses two key challenges. First, the GFlowNet framework is fundamentally designed to learn a diverse policy that samples solutions proportional to their reward, overcoming the single-solution limitation of RL while offering faster inference than other generative models like diffusion. Second, the Transformers act as a powerful encoder, capturing the non-local structure of unitary matrices and compressing a high-dimensional state into a dense latent representation for the policy network. Our agent achieves an overall success rate of 99.7% on a 3-qubit benchmark(lengths 1-12) and discovers a diverse set of compact circuits, establishing QFlowNet as an efficient and diverse paradigm for unitary synthesis.

We extend directed quantum circuit synthesis (DQCS) with reinforcement learning from purely discrete gate selection to parameterized quantum state preparation with continuous single-qubit rotations $R_x$, $R_y$, and $R_z$. We compare two training regimes: a one-stage agent that jointly selects the gate type, the affected qubit(s), and the rotation angle; and a two-stage variant that first proposes a discrete circuit and subsequently optimizes the rotation angles with Adam using parameter-shift gradients. Using Gymnasium and PennyLane, we evaluate Proximal Policy Optimization (PPO) and Advantage Actor--Critic (A2C) on systems comprising two to ten qubits and on targets of increasing complexity with $λ$ ranging from one to five. Whereas A2C does not learn effective policies in this setting, PPO succeeds under stable hyperparameters (one-stage: learning rate approximately $5\times10^{-4}$ with a self-fidelity-error threshold of 0.01; two-stage: learning rate approximately $10^{-4}$). Both approaches reliably reconstruct computational basis states (between 83% and 99% success) and Bell states (between 61% and 77% success). However, scalability saturates for $λ$ of approximately three to four and does not extend to ten-qubit targets even at $λ=2$. The two-stage method offers only marginal accuracy gains while requiring around three times the runtime. For practicality under a fixed compute budget, we therefore recommend the one-stage PPO policy, provide explicit synthesized circuits, and contrast with a classical variational baseline to outline avenues for improved scalability.

Quantum unitary synthesis addresses the problem of translating abstract quantum algorithms into sequences of hardware-executable quantum gates. Solving this task exactly is infeasible in general due to the exponential growth of the underlying combinatorial search space. Existing approaches suffer from misaligned optimization objectives, substantial training costs and limited generalization across different qubit counts. We mitigate these limitations by using supervised learning to approximate the minimum description length of residual unitaries and combining this estimate with stochastic beam search to identify near optimal gate sequences. Our method relies on a lightweight model with zero-shot generalization, substantially reducing training overhead compared to prior baselines. Across multiple benchmarks, we achieve faster wall-clock synthesis times while exceeding state-of-the-art methods in terms of success rate for complex circuits.

Using partial knowledge of a quantum state to control multiqubit entanglement is a largely unexplored paradigm in the emerging field of quantum interactive dynamics with the potential to address outstanding challenges in quantum state preparation and compression, quantum control, and quantum complexity. We present a deep reinforcement learning (RL) approach using an actor-critic algorithm for constructing short disentangling circuits for states with up to 16 qubits. With access to only two-qubit reduced density matrices, our agent decides which pairs of qubits to apply two-qubit gates on; requiring only local information makes it directly applicable on modern NISQ devices, as we demonstrated experimentally on a trapped-ion quantum computer. Utilizing a permutation-equivariant transformer architecture, the agent can autonomously identify qubit permutations within the state, and adjusts the disentangling protocol accordingly. Once trained, it provides circuits from different initial states without further optimization. We demonstrate the agent's ability to identify and exploit the entanglement structure of multi-qubit states. We analyze the disentangling circuits constructed by the agent for 4- and 5-qubit Haar-random states, and observe strong correlations between consecutive gates and among the qubits involved. Through extensive benchmarking, we show the efficacy of the RL approach to find disentangling protocols with minimal gate resources. We explore the resilience of our trained agents to noise, highlighting their potential for real-world quantum computing applications. Analyzing optimal disentangling protocols, we report a general circuit to prepare an arbitrary 4-qubit state using at most 5 two-qubit (10 CNOT) gates.