Exploring Structures in Physics Problems: Can AI Agents Discover Statistical Mechanical Mappings?

Abstract

An important skill in theoretical physics is to recognize when a new problem can be transformed into a known model. We study this skill as an AI-agent task: can LLM-based agents discover statistical mechanical mappings from a raw partition function to a tractable representation? To probe this question, we introduce StatMechBench-v0, a benchmark of six Ising-type problems covering transfer-matrix methods, gauge-removable disorder, and planar/Pfaffian structure. We evaluate a simple propose-verify-revise agent across multiple LLMs and problem phrasings. The results show that numerical feedback often helps agents repair code and recover correct partition functions. However, agents can also pass the numerical checks while misidentifying the underlying tractable class or understating computational complexity. This both reveals limitations in current LLM reasoning and calls for a verification stack that goes beyond numerical agreement, incorporating, for example, symbolic checks and structural invariants. Our study provides an early evaluation and design directions for AI agents aimed at structural discovery in theoretical physics.