FormalTCS: Benchmarking End-to-End Frontier Formal Theoretical Computer Science Research of Large Language Models

Abstract

Large language models (LLMs) have shown growing potential for automated theoretical computer science (TCS) research, yet existing benchmarks remain far from realistic research settings. We introduce \ourbenchmark, an expert-validated benchmark for evaluating LLMs on frontier, end-to-end TCS research. \ourbenchmark contains $143$ instances drawn from papers accepted to STOC, FOCS, SODA, and COLT in 2025-2026, preserving paper-specific definitions, assumptions, and proof dependencies, with expert-verified Lean formalizations and proofs. Evaluations of leading LLMs reveal that current models remain far from reliably completing the full research pipeline. In particular, autoformalization is the sharpest bottleneck: the best model achieves only $11.5$ on translating natural-language claims into formal theorem statements, compared with $28.6$ Pass@8 when proving human-provided formal statements. Building on \ourbenchmark, we further develop an automated TCS research framework that generates, formalizes, filters, and proves new claims. Of $64$ generated claims, only $6$ ultimately pass expert evaluation and proof verification, indicating that beyond formalization, limited research taste remains another major barrier to autonomous TCS research.