Robust Harmful Features Under Jailbreak Attacks: Mechanistic Evidence from Attention Head Specialization in Large Language Models

Jailbreak attacks expose a persistent failure mode in safety-aligned LLMs: models can be pushed into harmful behavior, but the internal representations enabling this shift remain poorly localized. Recent mechanistic safety studies often explain such behavior through broad representational objects, including global refusal directions, activation steering vectors, and refusal-related SAE features. We instead ask whether jailbreak vulnerability can be traced to finer-grained, prompt-conditioned SAE feature subgroups. We introduce a token-driven mechanistic pipeline that decomposes the residual stream of Gemma-2-2B into Sparse Autoencoder (SAE) features and identifies feature subgroups associated with unsafe behavior. Using single-category unsafe examples from BeaverTails to reduce cross-category interference, we extract harmful concepts from adversarial responses and align them with concept-relevant prompt tokens through subspace similarity. We then apply three feature-grouping strategies: cluster-based, hierarchical-linkage, and single-token-driven, to identify SAE feature subgroups across all 26 layers. Finally, we amplify the top features in each subgroup and evaluate the resulting generations with a standardized harmfulness judge. Single-token-driven grouping achieves harmfulness comparable to full cluster-based grouping, showing that individual harmful prompt tokens are sufficient to localize vulnerability-relevant SAE feature subgroups without relying on broader cluster-level aggregation. These subgroups appear across early and mid-to-late layers, with stronger concentration in mid-to-late layers, where targeted steering exposes specific model vulnerabilities. Overall, our results suggest that jailbreak susceptibility can be traced to sparse, token-localized SAE feature subgroups, complementing prior accounts based on broad adversarial, refusal, or steering directions.

Aligned large language models (LLMs) remain vulnerable to jailbreak attacks. Recent mechanistic studies have identified latent features and representation shifts associated with jailbreak success, but they leave a more fundamental question open: why do aligned LLMs remain jailbreakable, and what structural vulnerabilities in the model make this possible? We study this question through a continuous input-transformation view. Our theoretical finding is that aligned models can still exhibit Refusal-Escape Directions (RED): local perturbation directions around a harmful input that shift the model's behavior from refusal to answering while preserving the model's harmful-semantics interpretation. From this perspective, a jailbreak is not only a successful discrete prompt construction, but can also be understood as a refusal-to-answer behavior transition induced by continuously perturbing a harmful input along RED. We then prove that RED can be exactly decomposed into contributions from operator-level sources across the model's operator structure, and identify normalization, residual-wiring, and terminal sources as analytically constrained operator-level sources. To eliminate RED, the shared expressive modules -- self-attention and MLP -- must eliminate the contributions from these analytically constrained sources while preserving the mechanisms that support benign responses. These competing requirements give rise to a conditional safety-utility trade-off. Experiments across multiple models and attack methods empirically analyze RED from two complementary perspectives and show that added token dimensions can expose RED, while successful jailbreaks exhibit refusal-to-answer shifts largely aligned with terminal-source contributions.

Jailbreak attacks on large language models are usually evaluated by attacker-centric metrics such as attack success rate (ASR), yet an attack that breaks a model is not necessarily useful for improving its safety. We propose a defender-centric view of jailbreak evaluation, where attacks are evaluated by the downstream safety improvements they enable when used as red-teaming data for safety training. Building on this view, we introduce A-MESS (Minimal Effective Attack-Subset Selection), a setting-agnostic framework for attributing and selecting jailbreak attacks from black-box subset utility observations. A-MESS estimates AttackSHAP, a Shapley-based score that attributes marginal utility to individual attacks and selects compact attack subsets under user-specified budgets via greedy or surrogate-based optimization. Across controlled utility landscapes and real LLM safety settings, we find that ASR rankings are weakly aligned with defender-centric utility, that AttackSHAP can be estimated accurately with limited utility queries, and that directly optimizing subsets yields stronger safety utility than attacker-centric or attribution-only selection. These results suggest evaluating jailbreak attacks as resources for improving safety, not only as tools for breaking models.