AI-Assisted Auto-formalization for Trustworthy Scientific Computing: Case Studies and Lessons Learned
Agentic AI tools have recently had success in mathematical reasoning. Both general purpose coding agents such as Claude Code and Codex, and specialized mathematics agents such as Aristotle, have been used for formalizing mathematical problems such as Fermat’s last theorem, Erd\H{o}s problems and several IMO level math problems. However, much of these efforts are concentrated in the pure mathematics domain, which benefits from relatively self-contained theorem statements, fixed mathematical representation and extensive support in existing formal libraries. Applied mathematics, on the other hand, presents additional challenges because the source may describe a computational procedure or modeling transformation rather than a declarative theorem. In this work, we present a systematic study of AI-assisted auto-formalization for scientific computing (SC), a domain in applied mathematics central to U.S. Department of Energy applications. Through case studies spanning hierarchical abstraction layers in SC software stack, we evaluate not only whether AI agents can complete numerical proofs, but also where and why they fail across the stack. Our primary contribution is a cross-layer taxonomy of failure modes and an analysis of the form of expert feedback required at each layer to recover mathematical soundness. From these observations, we derive a workflow for recurring proof patterns and practical guidance for using AI agents while preserving mathematical soundness. Our results characterize both the practical value and the current limitations of AI-assisted formalization for trustworthy scientific computing.