Safe: Enhancing Mathematical Reasoning in Large Language Models via Retrospective Step-aware Formal Verification

Abstract: Chain-of-Thought (CoT) prompting has become the de facto method to elicit reasoning capabilities from LLMs. However, to mitigate hallucinations in CoT that are notoriously difficult to detect, current methods such as process reward models (PRMs) or self-consistency operate as opaque boxes and do not provide checkable evidence for their judgments, possibly limiting their effectiveness. To address this issue, we draw inspiration from the idea that "the gold standard for supporting a mathematical claim is to provide a proof". We propose a retrospective, step-aware formal verification framework $Safe$. Rather than assigning arbitrary scores, we strive to articulate mathematical claims in formal mathematical language Lean 4 at each reasoning step and provide formal proofs to identify hallucinations. We evaluate our framework $Safe$ across multiple LLMs and various mathematical datasets, demonstrating a significant performance improvement while offering interpretable and verifiable evidence. We also propose $FormalStep$ as a benchmark for step correctness theorem proving with $30,809$ formal statements. To the best of our knowledge, our work represents the first endeavor to utilize formal mathematical language Lean 4 for verifying natural language content generated by LLMs, aligning with the reason why formal mathematical languages were created in the first place: to provide a robust foundation for hallucination-prone human-written proofs.