Spec-Harness: Measuring and Improving Behavioral Adequacy of LLM-Synthesized Formal Specifications

AI coding agents are increasingly used to write real-world software, but ensuring that their outputs are correct remains a fundamental challenge. Formal verification offers a promising path: an agent generates code together with a machine-checked proof, guaranteeing that the code satisfies a formal specification. However, there is no guarantee that the formal spec itself matches the user's intent. In this work, we study specification autoformalization: whether LLM agents can translate informal programming problems into faithful formal specifications. We introduce Verus-SpecBench, a benchmark of 581 spec-writing tasks derived from Codeforces problems targeting Verus, a verifier for Rust, and Verus-SpecGym, an agentic environment in which models interact with Verus, bash, & the filesystem to develop these specs. The central challenge is evaluation: expert-written reference specs are expensive to write, & LLM judges can miss subtle mistakes. We address this by (a) extending Verus's exec_spec mechanism so that generated specs can be executed as Rust code, & (b) testing them against official Codeforces tests & adversarial cases extracted from Codeforces "hacks", which are edge cases written by competitors to break incorrect solutions. On Verus-SpecBench, the strongest model, Gemini 3.1 Pro, solves 77.8% of tasks, other frontier models solve 51.1--57.8% & OSS models reach only 21.5--25.5%. Our analysis of failure modes shows that model-generated specs can omit important input assumptions, accept incorrect outputs, & reject valid ones. We also find that LLM-as-a-judge evaluation misses 26% of the failures our evaluator catches. Overall, our results suggest that spec autoformalization is within reach for frontier agents but remains brittle even on problems where they can already generate correct code. The code, data, & logs can be found at https://github.com/formal-verif-is-cool/verus-spec-gym

Formal specification is essential for rigorous program verification, yet writing correct specifications remains costly and difficult to automate. Although large language models (LLMs) and agents have shown promising progress, their true capabilities and failure modes remain unclear. We present the first systematic and contamination-aware study of LLM- and agent-based formal specification generation for C programs. We introduce LiveFMBench, a continuously evolving benchmark of 630 ACSL (ANSI/ISO C Specification Language)-annotated C programs, including 360 newly collected cases designed to mitigate data leakage. Using this benchmark, we evaluate direct prompting with different sampling sizes, reasoning-enabled (thinking mode) inference, the agentic pipeline, and perform a fine-grained failure analysis. Experimental results reveal that naive evaluation substantially overestimates performance because models under direct prompting may exhibit unfaithful behaviors, such as deceiving automated provers or ignoring code-context constraints; after excluding such cases, the true specification generation accuracy drops by approximately 20%. We further find that both increased sampling and thinking mode significantly improve success rates, with smaller models benefiting more from thinking mode. Agentic pipelines are particularly effective under low sampling budgets and on harder datasets. Failure analysis further shows that incorrect loop invariants are the dominant error type, while agentic pipelines notably reduce assertion errors. These results expose fundamental limitations in current LLM-based approaches and suggest they remain far from replacing human-authored formal specifications. We release LiveFMBench at https://huggingface.co/datasets/fm-universe/Live-FM-Bench and all evaluation artifacts to support future research.

Unlike natural-language specifications, executable formal specifications provide machine-checkable constraints for verifying, debugging, and repairing code. However, writing such specifications is labor-intensive, and existing LLM-based methods mainly infer whole-program pre/postconditions, missing the intermediate semantic commitments that programmers rely on when reasoning about an algorithm. Our study further shows that prompting current CodeLLMs often produces executable assertions that are syntactically invalid, trivial, or too weak to reject behavior-changing faults. In this paper, we study executable checkpoint specification generation, where assertions are inserted at meaningful internal program points to describe expected intermediate states. We introduce SpecCoder, a verification-guided CodeLLM training framework that learns from validated reference programs, behavior-changing mutants, and multi-turn specification-refinement traces. SpecCoder selects specifications that hold on correct executions while rejecting faulty executions, turning specifications from passive annotations into executable evidence. To evaluate this setting, we introduce HumanExec, a benchmark built from recent Codeforces competitive programming problems with test suites, reference solutions, and human buggy submissions, supporting three tasks: specification generation, program correctness checking, and program repair. Experiments on HumanExec show that SpecCoder substantially improves checkpoint-specification quality over base CodeLLMs. Across Qwen2.5-Coder models, SpecCoder improves inline-specification correctness by up to 55.8%, completeness by up to 358.1%, and executable assertion validity by up to 26.6%. These gains further translate to downstream correctness reasoning and repair, showing that executable checkpoints provide fine-grained evidence for reliable verification.