Compiling quantum algorithms for real devices involves hard optimization problems that can decide whether an algorithm runs at scale. We present a general method for solving such problems with AI agents, with every result certified. It builds on autoresearch loops, in which agents iteratively improve programs against a fixed evaluator and which have recently improved quantum cryptanalysis circuits, and adds two elements: a frozen, exact verifier certifies every result, and this verifier, together with the challenge around it, is built by an agent that formulates the problem with a researcher and validates the verifier against a solved case, deliberately broken solutions and published results before any solution exists. The method applies to any optimization problem whose solutions can be verified exactly and efficiently. We apply it to three compilation problems in quantum simulation, namely fermion-to-qubit encoding, Hamiltonian layout and unitary synthesis. In each, the agents improved substantially on published or standard constructions, reducing the cost being optimized by up to 73% at the largest sizes tested and outperforming a state-of-the-art optimizer for fermion-to-qubit encodings. Every submission is a program accompanied by its agent's notes, so the ideas behind each improvement are recorded in human-readable form; later agents built on them, and we describe them here. These results open the way to automated, certified discovery across quantum circuit design and beyond.
Compiling quantum algorithms for real devices involves hard optimization problems that can decide whether an algorithm runs at scale. We present a general method for solving such problems with AI agents, with every result certified. It builds on autoresearch loops, in which agents iteratively improve programs against a fixed evaluator and which have recently improved quantum cryptanalysis circuits, and adds two elements: a frozen, exact verifier certifies every result, and this verifier, together with the challenge around it, is built by an agent that formulates the problem with a researcher and validates the verifier against a solved case, deliberately broken solutions and published results before any solution exists. The method applies to any optimization problem whose solutions can be verified exactly and efficiently. We apply it to three compilation problems in quantum simulation, namely fermion-to-qubit encoding, Hamiltonian layout and unitary synthesis. In each, the agents improved substantially on published or standard constructions, reducing the cost being optimized by up to 73% at the largest sizes tested and outperforming a state-of-the-art optimizer for fermion-to-qubit encodings. Every submission is a program accompanied by its agent's notes, so the ideas behind each improvement are recorded in human-readable form; later agents built on them, and we describe them here. These results open the way to automated, certified discovery across quantum circuit design and beyond.
We discuss an effective paradigm of utilizing AI agents to better compile quantum circuits when one can constrain bottleneck subroutines to have some form of classically verifiable structure. For example, when critical subroutines are composed exclusively of reversible classical logic, phasing operations, and measurement based uncomputation, one can efficiently simulate execution for classical inputs. This property facilitates efficient certification of approximate circuit synthesis via a form of fuzz testing, provided suitable assumptions on the input distribution. While this pattern was recently exploited to improve quantum cryptanalysis circuits, here we highlight the flexibility of the broader approach by discussing three important applications. (1) The computation of 1/x that bottlenecks real space simulations of the Coulomb operator such as those important for modeling inertial confinement fusion reactors. (2) The decoding of Reed-Solomon codes which bottlenecks the decoded quantum interferometry algorithm when used to approximately solve the optimal polynomial intersection problem. And (3) the quantum look-up tables and controlled application of Givens rotations that bottleneck the most performant quantum algorithms for simulating chemistry in second quantization. We discuss reference implementations of these algorithms and how they can be constrained and verified in the interest of seeding a Kaggle competition designed to accelerate AI-based research into the optimization of their compilation.
Variational quantum circuits (VQCs) constitute a central building block of near-term quantum machine learning (QML), yet the principled design of expressive and trainable architectures remains a major open challenge. The VQC design space grows combinatorially with the number of qubits, layers, entanglement structures, and gate parameterizations, rendering manual circuit construction inefficient and often suboptimal. We introduce an autonomous agent-based framework for VQC architecture search that integrates high-level reasoning with a quantum simulation environment. The agent proposes candidate circuit architectures, evaluates them through fully automated training and validation pipelines, and iteratively improves its design strategy via performance-driven feedback. Empirically, we show that the agent autonomously evolves circuit architectures from simple initial ansätze toward increasingly expressive designs, progressively trying to improve task performance. This demonstrates that agentic AI can effectively navigate and refine the VQC design landscape with minimal human intervention, providing a scalable methodology for automated quantum model development in the Noisy Intermediate-Scale Quantum (NISQ) regime.
Optimizing and simulating quantum circuits at scale are critical bottlenecks in realizing the full potential of quantum computing. This thesis delivers a comprehensive suite of systems to overcome these limitations, spanning both physical compilation and classical simulation. For quantum circuit optimization, we first automate the discovery and verification of transformation rules by introducing Equivalence Circuit Class (ECC) sets and an efficient generation algorithm for arbitrary gate sets. We deploy these rules within the superoptimizer Quartz, which utilizes a cost-based backtracking search to escape local minima that trap traditional rule-based methods. To eliminate the exponential runtime penalties inherent to pure search, we introduce QALM, a hybrid optimization framework. By unifying search-based exploration with greedy rule-based exploitation in an interleaved control loop, QALM dynamically escapes local minima without exhaustive backtracking. Evaluated across a large benchmark suite of 248 diverse circuits, QALM outperforms existing search-based optimizers in final circuit quality while operating with the computational efficiency of rule-based systems. While the prior two approaches aim for global optimization, this problem is intrinsically QMA-hard, creating a bottleneck for large programs. To circumvent this issue and scale up, we introduce OAC, a cut-and-meld circuit optimization algorithm. OAC cuts a circuit into subcircuits, applies an existing oracle optimizer independently, and seamlessly melds the results. This algorithm operates with a linear number of oracle calls while attaining local optimality. Empirical evaluation shows that OAC significantly improves the efficiency of state-of-the-art optimizers while enhancing overall quality. Beyond physical execution, the scalable simulation of quantum circuits on classical hardware presents another major challenge. To address this, we present Atlas, a distributed GPU-based simulator that hierarchically partitions circuits to exploit data parallelism while minimizing communication overhead. By leveraging integer linear programming to allocate structurally related gates to nearby GPUs and dynamic programming for kernel scheduling, Atlas runs significantly faster than prior state-of-the-art GPU simulators. Together, these frameworks provide a robust toolchain, improving both the execution of quantum circuits on physical devices and their scalable classical simulation.
The practical implementation of quantum algorithms on noisy intermediate-scale quantum devices encounters operational limitations due to decoherence and other sources of noise inherent in real hardware. To mitigate these errors while preserving the original functionality of the algorithm, shorter quantum circuits are therefore preferred. This motivates the development of effective quantum circuit optimization algorithms. Learning-based approaches have emerged as a leading candidate, yet existing autonomous agents remain inefficient, spending most of their training capacity rediscovering elementary reductions that deterministic rule-based methods already handle reliably. To address this challenge, we propose a reinforcement learning framework that embeds a deterministic Commutation-and-Reduction (CR) algorithm directly into the training environment. After every agent action, the CR algorithm automatically resolves elementary commutations and cancellations, enabling the agent to focus its learning capacity on the non-trivial optimizations where reinforcement learning adds real value. Empirical evaluation across two gate sets, the universal Clifford+T basis and the CNOT+Pauli basis, shows that RL+CR produces shorter circuits than a standard RL agent at all tested scales. We demonstrate that RL trained on smaller quantum circuits can be applied to larger quantum circuits. On 20-qubit Clifford+T circuits, five times larger than the training circuits, RL+CR removes twice as many gates as standard RL. This work provides a robust approach that could accelerate the compilation and optimization processes for future fault-tolerant and utility-scale quantum systems.
The current phase of quantum computing is in the Noisy Intermediate-Scale Quantum (NISQ) era. On NISQ devices, two-qubit gates such as CNOTs are much noisier than single-qubit gates, so it is essential to minimize their count. Quantum circuit synthesis is a process of decomposing an arbitrary unitary into a sequence of quantum gates, and can be used as an optimization tool to produce shorter circuits to improve overall circuit fidelity. However, the time-to-solution of synthesis grows exponentially with the number of qubits. As a result, synthesis is intractable for circuits on a large qubit scale. In this paper, we propose a hierarchical, block-by-block optimization framework, QGo, for quantum circuit optimization. Our approach allows an exponential cost optimization to scale to large circuits. QGo uses a combination of partitioning and synthesis: 1) partition the circuit into a sequence of independent circuit blocks; 2) re-generate and optimize each block using quantum synthesis; and 3) re-compose the final circuit by stitching all the blocks together. We perform our analysis and show the fidelity improvements in three different regimes: small-size circuits on real devices, medium-size circuits on noise simulations, and large-size circuits on analytical models. Using a set of NISQ benchmarks, we show that QGo can reduce the number of CNOT gates by 29.9% on average and up to 50% when compared with industrial compilers such as t|ket>. When executed on the IBM Athens system, shorter depth leads to higher circuit fidelity. We also demonstrate the scalability of our QGo technique to optimize circuits of 60+ qubits. Our technique is the first demonstration of successfully employing and scaling synthesis in the compilation toolchain for large circuits. Overall, our approach is robust for direct incorporation in production compiler toolchains.
We propose Open Autoresearch, a paradigm in which humans and AI agents publish evaluator-verified improvements to a public leaderboard. We instantiate it in ECDSA.Fail, optimizing reversible secp256k1 point-addition circuits, a bottleneck in Shor's algorithm for elliptic-curve cryptography. The benchmark minimizes the spacetime-inspired score S=Q×T, where Q is peak logical qubit width and T is average executed Toffoli count. Participants reduced S by 86.1%. At the data cutoff (26 July 2026), the best-scoring circuit uses 1,151 qubits and 1,299,453 average executed Toffoli gates, giving Q×T≈1.496 billion. This is more than 50% below Google's published point-addition score thresholds (arXiv:2603.28846), under different accounting conventions. Because the benchmark supplies one addend classically, we construct a coherent windowed-addition-compatible variant implementing the single-call interface required by windowed Shor. It uses 1,162 qubits and 1,684,161 average executed Toffoli gates. On 100,000 random inputs, its empirical success probability is p^=0.99809, giving Q×T/p^≈1.961 billion under an independently rerunnable per-call sensitivity model, not a full-Shor success estimate. Its qubit and Toffoli counts lie below Google's published thresholds and Schrottenloher's reported operating points (arXiv:2606.02235), although differing interfaces, accounting conventions, and validation scope preclude formal dominance. After the cutoff, the score was further reduced to 1.259 billion, while a separate low-width circuit reached 813 qubits. The public record shows AI agents complementing human judgment, providing evidence for open autoresearch on efficiently evaluable, machine-checkable objectives.