AI agents are increasingly capable of constructing quantum algorithms and proofs, yet machine-checked proofs alone cannot guarantee that the intended problem is solved or that resource claims match the verified computation.Here we introduce Lean-QuantumAlg, a Lean 4 framework for trustworthy AI-assisted development of quantum algorithms.Its Algorithm-Solves-Problem contract binds correctness, success probability, borrowed-state restoration and quantum and classical resource bounds to a single execution, while separating the guarantees that Lean checks from the problem specifications and execution models that humans review. We demonstrate the framework on nine AI-formalized quantum algorithms, from Grover search to quantum attacks on RSA-2048 and P-256, with less than 1% of each algorithm's imported source code requiring statement-level human review once the shared framework has been audited. By integrating reusable mathematical foundations, certified algorithmic primitives and execution-grounded verification, Lean-QuantumAlg provides a basis for AI agents to construct and certify quantum algorithms, opening a path toward scalable AI-driven discovery of quantum algorithms.
AI agents are increasingly capable of constructing quantum algorithms and proofs, yet machine-checked proofs alone cannot guarantee that the intended problem is solved or that resource claims match the verified computation.Here we introduce Lean-QuantumAlg, a Lean 4 framework for trustworthy AI-assisted development of quantum algorithms.Its Algorithm-Solves-Problem contract binds correctness, success probability, borrowed-state restoration and quantum and classical resource bounds to a single execution, while separating the guarantees that Lean checks from the problem specifications and execution models that humans review. We demonstrate the framework on nine AI-formalized quantum algorithms, from Grover search to quantum attacks on RSA-2048 and P-256, with less than 1% of each algorithm's imported source code requiring statement-level human review once the shared framework has been audited. By integrating reusable mathematical foundations, certified algorithmic primitives and execution-grounded verification, Lean-QuantumAlg provides a basis for AI agents to construct and certify quantum algorithms, opening a path toward scalable AI-driven discovery of quantum algorithms.
Formal verification is becoming increasingly practical for quantum computing, yet the ability of AI agents to construct machine-checkable proofs in this domain remains unmeasured. We introduce Lean-QuantumAlg-Bench and Lean-QIT-Bench, two Lean 4 benchmarks containing 36 and 40 theorem-completion tasks for quantum algorithms and quantum information theory, respectively. Every task compiles in a fixed environment and is evaluated by deterministic proof checking and targeted semantic review, with difficulty weights assigned before model execution. We evaluate four models-GPT-5.5, Kimi K3, DeepSeek V4-Pro, and MiniMax M3-within a common theorem-proving framework under two settings: a task-only baseline and library-augmented deduction (LAD), which additionally provides access to a verified domain library. The highest difficulty-weighted scores are 60.4 out of 100 on the quantum-algorithm benchmark and 59.6 out of 100 on the quantum-information benchmark. LAD improves both score and completion rate in all eight model-benchmark comparisons, with gains of up to 15.9 points, providing evidence that verified libraries can strengthen domain-specific proof agents. The results reveal recurring weaknesses of agentic proving in areas such as quantum simulation, quantum learning, quantum information measures, and entanglement theory. Monetary and wall-clock costs per score point also vary substantially across models, highlighting important capability-efficiency trade-offs. We expect these benchmarks to establish a reproducible baseline for developing more capable and reliable proof agents, and to pave the way toward self-evolving AI scientists for advancing quantum information science.
Large language models are increasingly assisting with demanding formal theorem-proving tasks, particularly when grounded in machine-checked libraries such as Lean. Agentic systems further amplify this process by searching, reusing, and extending existing formal developments to uncover new discoveries. In quantum computing, Shor's algorithm and its variants present such a demanding case for Lean formalization. In this work, we formalize this algorithm family in Lean through agentic formalization: software agents analyze sources, write Lean code and repair proofs, with human review of the scientific claims and machine checking of the resulting formal proofs. Our formalization develops the mathematical foundations for analyzing quantum attacks in two cryptographic settings: a 2048-bit modulus in the RSA-2048 and the standardized elliptic curve over a 256-bit prime field (P-256). To support these analyses, the formalization ranges from quantum algorithms for order finding to reversible quantum circuits for modular and elliptic-curve arithmetic. Based on [Quantum 5, 433] and [ASIACRYPT 2017, 241--270], we formalize the logical resource estimates for RSA-2048 and P-256, respectively, and provide additional estimates of classical operations. We expect the results pave the way for broader machine-checked quantum cryptanalysis and represent a step toward AI-assisted design and verification of quantum algorithms.
Quantum information theory (QIT) characterizes the capabilities and fundamental limits of quantum information processing, underpinning quantum communication, computation, and error correction. Formalizing its coding theorems requires connecting finite-block protocols, analytic inequalities, and asymptotic limits within a unified machine-checked framework. Existing developments, however, lack a reusable operational layer that defines codes, error criteria, achievable rates, and capacities independently of their information-theoretic characterizations. In this work, we present LeanQIT, a Lean 4 library for finite-dimensional QIT. It provides composable, kernel-checked interfaces for quantum states and channels, source and channel codes, finite-block performance criteria, hypothesis testing, one-shot quantities, and asymptotic rate constructions. Using this infrastructure, we formalize Schumacher's quantum source-coding theorem, the Holevo--Schumacher--Westmoreland classical-capacity theorem, and the entanglement-assisted classical-capacity theorem together with its strong converse. By separating operational definitions from analytic characterizations and exposing reusable achievability, converse, and asymptotic components, Lean-QIT provides a machine-readable foundation for formal QIT and a compositional knowledge substrate for emerging AI-assisted formalization, automated proof search, and agentic reasoning in quantum information and computation.
We introduce MerLean, a fully automated agentic framework for autoformalization in quantum computation. MerLean extracts mathematical statements from \LaTeX{} source files, formalizes them into verified Lean~4 code built on Mathlib, and translates the result back into human-readable \LaTeX{} for semantic review. We evaluate MerLean on three theoretical quantum computing papers producing 2,050 Lean declarations from 114 statements in total. MerLean achieves end-to-end formalization on all three papers, reducing the verification burden to only the newly introduced definitions and axioms. Our results demonstrate that agentic autoformalization can scale to frontier research, offering both a practical tool for machine-verified peer review and a scalable engine for mining high-quality synthetic data to train future reasoning models. Our approach can also be generalized to any other rigorous research in mathematics and theoretical physics.
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 report a machine-verified resolution of a problem open for over a decade in quantum optimization: the Farhi, Goldstone and Gutmann (FGG) conjecture that depth-p Quantum Approximate Optimization Algorithm (QAOA) on the ring of disagrees attains approximation ratio (2p+1)/(2p+2) exactly. We found the proof using a large language model, Claude Fable 5, and verified its correctness end-to-end by the Lean 4 proof assistant. Our methodology includes several ingredients: building on a substantial Lean library of quantum information, we formalized the QAOA components and the known parts of the problem, and reduced the conjecture to a single open mathematical statement. The model was then handed the library and our agentic toolkit, and tasked with closing that gap by constructing a proof in Lean. The resulting process is a feedback loop between the model's natural-language reasoning and Lean's mechanical verification, which converged to a machine-verified proof. Human verification is required only for the structural scaffolding - that the formal statement faithfully encodes the intended claim - while the proof itself is supplied by the model and certified mechanically by Lean. The proof is nevertheless striking - the model uncovered a hidden dynamical symmetry of the problem and exploited it, borrowing tools and machinery from an adjacent field to turn a hard existence problem into an explicit construction. This work paves the way for resolving open conjectures in quantum information science and beyond.