Estimating Tail Risks in Language Model Output Distributions
Authors: Rico Angell, Raghav Singhal, Zachary Horvitz, Zhou Yu, Rajesh Ranganath, Kathleen McKeown, He He
Abstract
Language models are increasingly capable and are being rapidly deployed on a population-level scale. As a result, the safety of these models is increasingly high-stakes. Fortunately, advances in alignment have significantly reduced the likelihood of harmful model outputs. However, when models are queried billions of times in a day, even rare worst-case behaviors will occur. Current safety evaluations focus on capturing the distribution of inputs that yield harmful outputs. These evaluations disregard the probabilistic nature of models and their tail output behavior. To measure this tail risk, we propose a method to efficiently estimate the probability of harmful outputs for any input query. Instead of naive brute-force sampling from the target model, where harmful outputs could be rare, we operationalize importance sampling by creating unsafe versions of the target model. These unsafe versions enable sample-efficient estimation by making harmful outputs more probable. On benchmarks measuring misuse and misalignment, these estimates match brute-force Monte Carlo estimates using 10-20x fewer samples. For example, we can estimate probability of harmful outputs on the order of 10^-4 with just 500 samples. Additionally, we find that these harmfulness estimates can reveal the sensitivity of models to perturbations in model input and predict deployment risks. Our work demonstrates that accurate rare-event estimation is both critical and feasible for safety evaluations. Code is available at https://github.com/rangell/LMTailRisk
Quantifying the risk of rare failures in language models, such as those triggered by adversarial distribution shifts or very large-scale deployments, requires estimating probabilities far too small for random sampling. While recent work has formalized Low Probability Estimation, existing pipelines remain fragile in the rarest regimes: estimators can suffer zero-estimate collapse or systematic bias, and standard evaluation losses can become unstable or poorly matched to asymmetric safety costs. In this work, we introduce Gradient Activation Adaptive Multi-Level Splitting (GA-AMLS), which adapts rare-event Monte Carlo methods to the continuous activation space of language models. Specifically, GA-AMLS uses a gradient-based MCMC kernel to navigate activation space, eliminating the zero-estimate collapse of input-space search and replacing the independence assumptions of prior activation-space estimators with conditional sampling under an explicit, heavier-tailed activation prior. We also propose the Shifted-Power Bregman (SPB) Loss, a proper scoring rule that remains finite for zero-estimates and offers tunable asymmetry between underestimation and overestimation penalties. Experiments on small transformer models reveal a bias-variance tradeoff: GA-AMLS achieves the lowest loss under symmetric evaluation, reducing average log-space squared error relative to the strongest baseline across model sizes, while methods with overestimation bias prevail under asymmetric penalties. Our findings highlight that estimator choice should be matched to deployment context. More broadly, our work establishes activation space as a tractable domain for rare-event estimation in language models, circumventing the brittleness of discrete input-space search.
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.
We propose a novel framework for computing rigorous bounds on the probability that a large language model (LLM) generates harmful output to a given prompt. We study a new application of the Clopper-Pearson confidence intervals to obtain probably approximately correct (PAC) bounds for this problem. As our main technical contribution, we propose an algorithm that leverages features in the latent space to prioritize exploring branches in the auto-regressive generation tree that are more likely to produce harmful outputs. Our approach in particular enables the efficient computation of useful lower bounds, even in scenarios where the true harm probability is extremely small, and crucially, the obtained lower bounds are sound, i.e., formally proven to be less than the actual harmfulness probability: our experimental results demonstrate the effectiveness of our method by computing non-trivial lower bounds on state-of-the-art LLMs. This study newly enables the evaluation and statistical certification of LLMs.