Sound Probabilistic Safety Bounds for Large Language Models

Autonomous systems increasingly rely on Large Language Models (LLMs) yet the safety infrastructure surrounding these models introduces latency and compute overhead. This limits utility in resource-constrained, time-critical deployments. Existing external guardrail models remain blind to the model's internal workings, creating a fundamental assurance gap. We ask: does the model already know when the content is harmful? We extract activations from LLaMA-3.1-8B and train lightweight MLP classifier probes (12.6M parameters) to detect harmful prompts. Evaluated on WildJailbreak, Beavertails, and AEGIS 2.0, our probes achieve F1 scores of 99%, 83%, and 84%, respectively competitive with 1000x larger guard models while cutting latency and compute costs.

Recent research on Large Language Model (LLM) safety has widely adopted guardrails to identify unsafe LLM outputs. Existing guardrails typically formulate safety assessment as a deterministic classification task, mapping a discrete token sequence to a discrete safety label. However, this paradigm has two limitations: First, safety assessment is inherently an uncertain problem, particularly during the early generation state. Second, relying solely on discrete token sequences discards the rich probabilistic information embedded in the LLM output distribution. To address these limitations, we propose the first completely probabilistic architecture-agnostic guardrail \textsc{ProbGuard} to leverage the LLM early output distributional signals for estimating and calibrating the safety probability, thereby enabling early stopping of unsafe ongoing outputs. Specifically, given an LLM's generated prefix distribution, we formulate the safety risk as the unsafe probability of its continued generation dynamics and estimate this risk by Monte-Carlo sampling. Through post-training on the distributional signals and calibrated safety risk, \textsc{ProbGuard} achieves the best calibration performance across all nine model--dataset combination settings, reducing the average Brier score and ECE by 79.6% and 71.9%, respectively, over the best baseline. \textsc{ProbGuard} further limits the attack success rate to at most 1% across six representative jailbreak attacks after observing the LLM early output distributions from only the first ten decoding steps.

Large language models (LLMs) undergo alignment training to avoid harmful behaviors, yet the resulting safeguards remain brittle: jailbreaks routinely bypass them, and fine-tuning on narrow domains can induce ``emergent misalignment'' that generalizes broadly. Whether this brittleness reflects a fundamental lack of coherent internal organization for harmfulness remains unclear. Here we use targeted weight pruning as a causal intervention to probe the internal organization of harmfulness in LLMs. We find that harmful content generation depends on a compact set of weights that are general across harm types and distinct from benign capabilities. Aligned models exhibit a greater compression of harm generation weights than unaligned counterparts, indicating that alignment reshapes harmful representations internally--despite the brittleness of safety guardrails at the surface level. This compression explains emergent misalignment: if weights of harmful capabilities are compressed, fine-tuning that engages these weights in one domain can trigger broad misalignment. Consistent with this, pruning harm generation weights in a narrow domain substantially reduces emergent misalignment. Notably, LLMs harmful generation capability is dissociated from how they recognize and explain such content. Together, these results reveal a coherent internal structure for harmfulness in LLMs that may serve as a foundation for more principled approaches to safety.