Learning to Generate Secure Code via Token-Level Rewards

Large language models (LLMs) are widely used for code generation, but their security reliability remains inconsistent across languages and prompting strategies. Existing prompt engineering improves functional correctness but rarely ensures consistent security outcomes. We introduce the Mitigation-Aware Chain-of-Thought (MA-CoT) framework, which embeds task-specific CWE mitigation guidance and language-aware safeguards to reduce recurring vulnerabilities in generated code. We evaluate MA-CoT across three LLMs (gpt-5, claude-4.5, gemini-2.5), three programming languages (C, Java, Python), and four prompting strategies (Vanilla, Zero-shot, CoT, MA-CoT) on a 200-task primary dataset, with external validation on LLMSecEval. Using static analysis with expert validation, MA-CoT reduces total security findings from 92 to 39 (57.6%) on the primary dataset and from 73 to 4 (94.5%) on LLMSecEval. High-severity findings (Blocker + Critical) drop from 90 to 39 (56.7%) and from 45 to 2 (95.6%), respectively. Across both datasets, MA-CoT is the only strategy that consistently improves security reliability; Zero-shot and CoT are less reliable and may increase vulnerability, especially in C. We further introduce a strict layered attribution of vulnerability drivers (language-core vs. stack layers) and show that residual risk concentrates in hardening-oriented patterns (e.g., OS- and toolchain-dependent), motivating secure-by-construction primitives alongside prompting.

While Large Language Models (LLMs) excel in code generation, they remain prone to replicating subtle yet critical vulnerabilities endemic to their training data. Current alignment techniques, such as Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL), typically apply coarse-grained optimization at the sequence level. This approach often fails to address the localized nature of security flaws, where a single incorrect token choice can compromise an entire program. To bridge this gap, we introduce Tree-like Self-Play (TSP), a framework that reframes secure code generation as a fine-grained sequential decision process. Unlike standard methods that blindly maximize likelihood, TSP constructs a decision tree where the model explores branching trajectories--generating both secure "golden paths" and vulnerable variants. By treating code generation as a self-play game, the model learns to strictly discriminate against its own localized errors. This provides a dense, on-policy learning signal that forces self-correction precisely at the critical decision nodes where vulnerabilities typically emerge. Our experiments demonstrate that TSP fundamentally enhances model reliability. In Python security benchmarks, TSP boosts CodeLlama-7B's pass rate (SPR@1) to 75.8%, significantly outperforming SFT (57.0%) and unstructured self-play baselines. Crucially, TSP induces robust out-of-distribution generalization: the model not only reduces vulnerabilities in unseen categories (CWEs) by 24.5% but also successfully transfers security principles learned from C/C++ to diverse languages, including Python, Go, and JavaScript. This suggests that TSP does not merely memorize patches, but internalizes abstract, language-agnostic security logic.

Large Language Models (LLMs) for code generation can replicate insecure patterns from their training data. To mitigate this, a common strategy for security hardening is to fine-tune models using supervision derived from the final transformer layer. However, this design may suffer from a final-layer bottleneck: vulnerability-discriminative cues can be distributed across layers and become less detectable near the output representations optimized for next-token prediction. To diagnose this issue, we perform layer-wise linear probing. We observe that vulnerability-related signals are most detectable in a band of intermediate-to-upper layers yet attenuate toward the final layers. Motivated by this observation, we introduce DeepGuard, a framework that leverages distributed security-relevant cues by aggregating representations from multiple upper layers via an attention-based module. The aggregated signal powers a dedicated security analyzer within a multi-objective training objective that balances security enhancement and functional correctness, and further supports a lightweight inference-time steering strategy. Extensive experiments across five code LLMs demonstrate that DeepGuard improves the secure-and-correct generation rate by an average of 11.9% over strong baselines such as SVEN. It also preserves functional correctness while exhibiting generalization to held-out vulnerability types. Our code is public at https://github.com/unknownhl/DeepGuard.