We build a team of specialized large language-model agents and present an agent-driven workflow for research-level formalization in theoretical physics, with the autoformalization of the fundamental theorem of matrix-product states as a demonstration. The agents, coordinated through a structured mathematical blueprint and periodic human review, orchestrated and executed the full formalization autonomously. For some statements, the agents were able to explore new proof routes that are not part of the standard literature. Along the way the agents produced extensive tensor-network and quantum-information libraries not previously available in Mathlib, Lean's mathematical library. As a physical application, the formalization also extends towards symmetry-protected topological phases in one dimension. We find that the main bottleneck in large-scale autoformalization is enforcing mathematical intent and we provide a detailed study of the full process and various subtleties involved. We release the codebase as the library \href{https://github.com/LionSR/TNLean}{TNLean}, together with a \nChapters{}-chapter \href{https://lionsr.github.io/TNLean/blueprint/}{blueprint} of the formalization effort.
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5+2+33 pages; 3+3+11 figures; 6 tables; An accompanying blueprint document is available at https://lionsr.github.io/TNLean/blueprint-ch01-12.pdf
We build a team of specialized large language-model agents and present an agent-driven workflow for research-level formalization in theoretical physics, with the autoformalization of the fundamental theorem of matrix-product states as a demonstration. The agents, coordinated through a structured mathematical blueprint and periodic human review, orchestrated and executed the full formalization autonomously. For some statements, the agents were able to explore new proof routes that are not part of the standard literature. Along the way the agents produced extensive tensor-network and quantum-information libraries not previously available in Mathlib, Lean's mathematical library. As a physical application, the formalization also extends towards symmetry-protected topological phases in one dimension. We find that the main bottleneck in large-scale autoformalization is enforcing mathematical intent and we provide a detailed study of the full process and various subtleties involved. We release the codebase as the library \href{https://github.com/LionSR/TNLean}{TNLean}, together with a \nChapters{}-chapter \href{https://lionsr.github.io/TNLean/blueprint/}{blueprint} of the formalization effort.
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.
Landmark mathematical formalizations have taken specialist teams years to complete. We present FormalFlow, a system that coordinates AI proving agents under human supervision to address statement drift and proof composition in long-horizon formalization. Drawing on software-engineering principles and practices, it uses a shared blueprint to guide nested planning, proving, and review loops. Using FormalFlow, we completed a machine-checked Lean 4 proof of the quantum soundness of the classical low individual-degree test, a core theorem underlying MIP* = RE, in 63 days. The final library contains 126,367 lines of Lean code, all generated by agents. Beyond providing a verified foundation for quantum complexity, the formalization corrects side conditions and intermediate error bounds in the published proof and improves the error exponent of the main theorem. The development record shows what it takes to trust proofs written by AI agents and provides reusable tools for verifying research mathematics at scale.
Quantum simulation is central to understanding and designing quantum systems across physics and chemistry. Yet it has barriers to access from both computational complexity and computational perspectives, due to the exponential growth of Hilbert space and the complexity of modern software tools. Here we introduce{\cinzel El Agente Cuántico}, a multi-agent AI system that automates quantum-simulation workflows by translating natural-language scientific intent into executed and validated computations across heterogeneous quantum-software frameworks. By reasoning directly over library documentation and APIs, our agentic system dynamically assembles end-to-end simulations spanning state preparation, closed- and open-system dynamics, tensor-network methods, quantum control, quantum error correction, and quantum resource estimation. The developed system unifies traditionally distinct simulation paradigms behind a single natural-language interface. Beyond reducing technical barriers, this approach opens a path toward scalable, adaptive, and increasingly autonomous quantum simulation, enabling faster exploration of physical models, rapid hypothesis testing, and closer integration between theory, simulation, and emerging quantum hardware.
We demonstrate that large language model (LLM) agents can autonomously perform tensor network simulations of quantum many-body systems, achieving approximately 90% success rate across representative benchmark tasks. Tensor network methods are powerful tools for quantum simulation, but their effective use requires expertise typically acquired through years of graduate training. By combining in-context learning with curated documentation and multi-agent decomposition, we create autonomous AI agents that can be trained in specialized computational domains within minutes. We benchmark three configurations (baseline, single-agent with in-context learning, and multi-agent with in-context learning) on problems spanning quantum phase transitions, open quantum system dynamics, and photochemical reactions. Systematic evaluation using DeepSeek-V3.2, Gemini 2.5 Pro, and Claude Opus 4.5 demonstrates that both in-context learning and multi-agent architecture are essential. Analysis of failure modes reveals characteristic patterns across models, with the multi-agent configuration substantially reducing implementation errors and hallucinations compared to simpler architectures.
Formalizing mathematics in a proof assistant, where a machine checks every definition, statement and proof, has set a new standard of rigor. Large language models are now capable of formalizing autonomously, even at the scale of whole textbooks. We bring this standard of rigor to physics, where theoretical arguments carry idealizations that are rarely stated fully, and any logical gaps could have a cascading effect on interdependent results. Recognizing the need to evaluate autoformalization systems for physics, we release AxQM, 1,019 kernel-checkable proof-synthesis tasks over 479 items drawn from the textbook Quantum Computation and Quantum Information by Nielsen and Chuang. The tasks are stated in a custom Lean library of finite-dimensional quantum mechanics. By task count, it is the largest proof-synthesis benchmark in physics by a factor of four. AxQM is derived from a near-complete formalization of the formal portions of the textbook, so every task is guaranteed a solution, which we keep private. Grading of the benchmark is done deterministically by the Lean kernel, which checks that the proof compiles, that no sorry appears in it or in any declaration it depends on, and that it introduces no new axioms.
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.