Large language models (LLMs) frequently generate source code containing vulnerabilities, yet little work studies the internal mechanisms that distinguish safe from vulnerable generation in them. In this work, we systematically perform a mechanistic interpretation of LLMs, aiming at both understanding how code safety-vs-vulnerability is represented or driven by components in an LM and turning the insights into actionable steering strategies to encourage safer code generation. To this end, we introduce CodeSec-Pairs, a dataset of 9,342 Python safe-and-vulnerable contrastive code pairs, sampled from Llama-3.1-8B-Instruct. Utilizing the dataset, we explore approaches to localize layers and attention heads that relate to code safety, and further experiment with different steering strategies for inference-time vulnerability reduction. In particular, we propose DuoSteer, a double-steering approach that simultaneously applies safety and code-correctness steering to attention heads. In experiments over five vulnerability types, DuoSteer leads to an average of -26.9% vulnerability rate reduction and +7.5% functional correctness improvement, which outperforms not only other steering variants but also prompting and supervised fine-tuning baselines. The advantage also replicates on Qwen-2.5-Coder-7B-Instruct with another 2,500 contrastive pairs sampled from that model.
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 \textit{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.
Mohammed F. Kharma, Mohammad Alkhanafseh, Ahmed Sabbah +1
Large language models write production code, and yet they routinely introduce well-known vulnerabilities. We show that this is not a knowledge deficit: the same models that generate insecure code, correctly identify and explain the vulnerability when asked directly, this is a gap we call the Format-Reliability Gap. Mechanistic analysis reveals the cause: security representations are encoded from the earliest layers but remain computationally inert until the final layer, where format-compliance demands compete with them. Because the failure is localized to a single layer, per-vulnerability steering vectors reduce insecure generation by up to 74% with negligible overhead. The mechanism and the fix generalize across five models, three architecture families, and six vulnerability types, suggesting insecure code generation is an interpretability problem, not a training artifact.
Large language models (LLMs) are increasingly used for program synthesis, yet they often generate code that is functionally plausible but insecure. Progress in secure code generation has been hindered by benchmarks that are small, non-executable, leak mitigation details, or rely on noisy analyzers and subjective judgments, making it difficult to measure whether security improves without sacrificing correctness. We address these gaps with CodeSecEval, an execution-based benchmark for secure code generation, comprising 255 Python tasks spanning 77 CWE categories. Each task provides paired insecure and secure implementations together with executable functional and vulnerability-targeted security tests, enabling precise and reproducible evaluation of secure code generation and insecure-code repair. Building on CodeSecEval, we propose SecAwareCoder, an agent-based framework that shifts code generation toward secure-by-construction synthesis. SecAwareCoder performs task-adaptive threat modeling to identify security-sensitive regions and derive task-grounded vulnerability hypotheses, uses these hypotheses to guide both constraint-aware code generation and security-aware test synthesis, and leverages execution feedback for targeted refinement. Experiments across multiple LLM backbones show that SecAwareCoder consistently improves Pass@1 and security robustness over prompting and analyzer-driven baselines, narrowing the security--correctness gap in LLM code generation.