When Close Enough Is Not Enough: Autoregressive Drift in Quantum Circuit Synthesis

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.

Deep reinforcement learning (RL) for quantum circuit optimization faces three fundamental bottlenecks: replay buffers that ignore the reliability of temporal-difference (TD) targets, curriculum-based architecture search that triggers a full quantum-classical evaluation at every environment step, and the routine discard of noiseless trajectories when retraining under hardware noise. We address all three by treating the replay buffer as a primary algorithmic lever for quantum optimization. We introduce ReaPER$+$, an annealed replay rule that transitions from TD error-driven prioritization early in training to reliability-aware sampling as value estimates mature, achieving $4-32\times$ gains in sample efficiency over fixed PER, ReaPER, and uniform replay while consistently discovering more compact circuits across quantum compilation and QAS benchmarks; validation on LunarLander-v3 confirms the principle is domain-agnostic. Furthermore we eliminate the quantum-classical evaluation bottleneck in curriculum RL by introducing OptCRLQAS which amortizes expensive evaluations over multiple architectural edits, cutting wall-clock time per episode by up to $67.5\%$ on a 12-qubit optimization problem without degrading solution quality. Finally we introduce a lightweight replay-buffer transfer scheme that warm-starts noisy-setting learning by reusing noiseless trajectories, without network-weight transfer or $ε$-greedy pretraining. This reduces steps to chemical accuracy by up to $85-90\%$ and final energy error by up to $90\%$ over from-scratch baselines on 6-, 8-, and 12-qubit molecular tasks. Together, these results establish that experience storage, sampling, and transfer are decisive levers for scalable, noise-robust quantum circuit optimization.

Approximate tensor-network simulators enable classical simulation of quantum circuits beyond the reach of exact methods, but selecting optimal approximation parameters -- such as bond dimension thresholds -- remains a costly trial-and-error process. We present a family-aware neural architecture that predicts both the minimum approximation threshold required to achieve target fidelity and the expected wall-clock runtime for quantum circuit simulation, given only the circuit's OpenQASM description and execution context. Our key insight is that quantum circuits from different algorithmic families (e.g., QFT, Grover, VQE) exhibit fundamentally distinct simulation cost profiles due to their differing entanglement structures. We employ family-conditioned residual corrections -- additive, family-specific adjustments atop a shared backbone, drawing on established conditional computation techniques -- enabling the model to capture both universal circuit properties and algorithmic nuances. The architecture incorporates a pretrained family classifier (97.5% accuracy) and domain-informed algorithm fingerprint features derived from gate-composition heuristics. Evaluated on circuits spanning 7--130 qubits across 10 algorithm families, our system achieves 79.5% exact threshold accuracy (91.2% within one rung) and $R^2 = 0.82$ runtime correlation, with inference completing in approximately 50 ms -- replacing trial-and-error simulation runs that may take minutes to hours. Ablation studies confirm that family-aware modeling provides the single largest performance improvement (+3.2 percentage points), validating the hypothesis that algorithm family is a first-class feature for simulation cost prediction.