AlphaClifford: Efficient Clifford Synthesis and Transpilation with Model-based RL

Clifford circuits play a foundational role in quantum computing, particularly due to their importance in quantum error correction and fault-tolerant logical synthesis. While these circuits can be efficiently simulated and represented as symplectic matrices, standard synthesis methods-such as the Aaronson-Gottesman algorithm-often yield sub-optimal circuits with excessively high gate counts. In this work, we introduce AlphaClifford, a model-based Reinforcement Learning framework powered by Monte Carlo Tree Search, designed to efficiently synthesize Clifford circuits from the fundamental gate set composed of H, S, and CNOT. By modeling the state space through the algebraic properties of the symplectic group, AlphaClifford effectively explores this combinatorial space to minimize overall circuit cost. For unconstrained Clifford optimization, our approach achieves a consistent reduction in both total and two-qubit (CNOT) gate counts compared to state-of-the-art synthesis heuristics, despite operating with a strictly less expressive gate set. Furthermore, we demonstrate the broad applicability of our framework on two additional tasks: hardware-constrained Clifford transpilation, where we outperform existing RL-based compilers, and as a post-synthesis optimization component within a full Clifford+T logical synthesis pipeline. Our results underscore that model-based RL is highly effective at addressing the combinatorial complexities of quantum compilation, offering a scalable pathway to mitigate hardware constraints in both near-term and future fault-tolerant quantum devices.

Learning to Prepare Molecular Ground States with Transformer Models

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.

Position: Quantum Program Generation Must Prioritize Validity Over Probabilistic Scaling

The scaling hypothesis assumes that increasing model parameters yields emergent reasoning capabilities. This position paper argues that applying this probabilistic paradigm to generic quantum circuit synthesis is a directional error. Unlike natural languages, quantum circuits require strict adherence to mathematical constraints that manifest a significant syntax-semantics gap. Training on unverified quantum programs means that models learn syntax but fail to capture the physical semantics of the Hilbert space. Since the valid subset of circuit designs decays exponentially with the number of qubits, post-hoc filtering is mathematically intractable. We propose a pivot from human-centric copilots to verifier-centric agents. We integrate hierarchical constraints, topological masks, and symbolic proxies directly into generation. Our analysis suggests that scale alone cannot bridge the validity gap. Verification-aware architectures offer a viable path for modular quantum program generation. These considerations point toward generation methods that encode task-specific rules of quantum information, rather than relying on imitation alone.

Lie Group Diffusion Models for Hardware-Aware Quantum Circuit Synthesis

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.

Aligning Quantum Operators with Large Language Models

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.