Abstract
Self-play, a type of training algorithm that enables a model to self-improve, has recently shown promising empirical results in the context of formal theorem proving using Large Language Models (LLMs). (Dong & Ma, 2025) instantiate self-play with two cooperating agents: a prover, which proves theorems, and a conjecturer, which generates new theorems as a curriculum to the prover. In this paper, we provide a theoretical framework for understanding the self-improvement capabilities of self-play algorithms for theorem proving. First, we formalize the set of theorems as a graph, with nodes as theorems and edges between pairs of theorems with similar semantics. We introduce a set of primitive assumptions that characterize the guarantees of a trained prover and how a conjecturer can access the structure of the graph. Second, we show that if the underlying graph of theorems is well-connected, then a prover-conjecturer system, where the conjecturing algorithm is based on a reversible random walk, is sufficient to grow the set of proved theorems exponentially. Third, motivated by an issue encountered empirically by self-play algorithms, where the conjecturer tends to generate artificially complex and non-fundamental theorems, we propose a diversity measure for a training distribution of theorems generated by a conjecturer and an improved conjecturing algorithm that locally maximizes this diversity measure, by computing the diffusion similarity between neighboring theorems in the theorem graph. Finally, we describe a method to compute the diffusion similarity by using contrastive learning to embed nodes into Euclidean space and then computing the inner-product between embeddings.
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Apr 22, 2026cs.LG
LLM self-play algorithms are notable in that, in principle, nothing bounds their learning: a Conjecturer model creates problems for a Solver, and both improve together. However, in practice, existing LLM self-play methods do not scale well with large amounts of compute, instead hitting learning plateaus. We argue this is because over long training runs, the Conjecturer learns to hack its reward, collapsing to artificially complex problems that do not help the Solver improve. To overcome this, we introduce Self-Guided Self-Play (SGS), a self-play algorithm in which the language model itself guides the Conjecturer away from degeneracy. In SGS, the model takes on three roles: Solver, Conjecturer, and a Guide that scores synthetic problems by their relevance to unsolved target problems and how clean and natural they are, providing supervision against Conjecturer collapse. Our core hypothesis is that language models can assess whether a subproblem is useful for achieving a goal. We evaluate the scaling properties of SGS by running training for significantly longer than prior works and by fitting scaling laws to cumulative solve rate curves. Applying SGS to formal theorem proving in Lean4, we find that it surpasses the asymptotic solve rate of our strongest RL baseline in fewer than 80 rounds of self-play and enables a 7B parameter model, after 200 rounds of self-play, to solve more problems than a 671B parameter model pass@4.
Luke Bailey, Kaiyue Wen, Kefan Dong +2
Jun 27, 2026cs.AI
Recent artificial intelligence (AI) systems have shown remarkable progress in mathematical reasoning. Many existing approaches, including large language models (LLMs), draw on human prior knowledge in the form of mathematical text, code, or theorem libraries. Although these approaches are highly effective in practice, it remains an open question whether an agent can autonomously discover useful theorems without such human priors. We study this question in a formal axiomatic system by developing an agent that starts from axioms and inference rules alone and gradually grows a library of useful theorems. Concretely, we propose a self-supervised theorem-discovery algorithm that alternates between proof search and useful-theorem extraction, building a theorem library whose entries are reused as lemmas for subsequent proof search. Experiments show that the agent discovers tens of thousands of theorems and finds proofs for human-written benchmark problems, suggesting that its discoveries include theorems meaningful from a human mathematical perspective. Furthermore, the discovered theorems improve LLM proof performance when provided as prompt lemmas, indicating that they can serve as external knowledge for LLM reasoning. Our results provide evidence that useful theorems can emerge from proof search without relying on human-provided theorem libraries. More broadly, they suggest a path toward self-evolving AI systems for mathematics whose discoveries remain formally verifiable.
Kazuki Ota, Takayuki Osa, Tatsuya Harada
Sep 16, 2025cs.LG
Large Language Models (LLMs) have demonstrated significant promise in formal theorem proving. In this study, we investigate the ability of LLMs to discover novel theorems and produce verified proofs. We propose a pipeline called Conjecturing-Proving Loop (CPL), which iteratively generates mathematical conjectures and attempts to prove them in Lean 4. A key feature of CPL is that each iteration conditions the LLM on previously generated theorems and their formal proofs, enabling parameter-free improvement of proof strategies via in-context learning. We provide both theoretical and experimental evidence that CPL increases the discovery rate of hard-to-prove theorems compared to frameworks that generate statements and proofs simultaneously. Moreover, our experiments show that reusing the LLM's own formally verified outputs as context consistently improves subsequent proof success, demonstrating the effectiveness of self-generated in-context learning for neural theorem proving. The source code is available at https://github.com/auto-res/ConjecturingProvingLoop.
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