ExpBoN: Exponential-Noise Best-of-$n$ for Efficient Test-Time LLM Alignment

Best-of-N (BoN) sampling is a widely used inference-time alignment method for language models, whereby N candidate responses are sampled from a reference model and the one with the highest predicted reward according to a learned reward model is selected. Despite its widespread practical use, recent theoretical work has suggested that it is statistically suboptimal and vulnerable to reward hacking, the process by which models exploit weaknesses in the learned reward model to achieve high estimated reward without genuinely improving performance. We revisit this question under assumptions that more closely reflect practice than that of prior work. In particular, in contradistinction to earlier analyses that focused on expected true reward, which may not be meaningful in many practical settings, we investigate how inference-time alignment affects the win-rate, a pairwise comparison-based metric more closely aligned with how reward models are trained and evaluated in practice. We demonstrate that, under minimal conditions on the quality of the reference model and learned reward model, properly tuned BoN is both computationally and statistically optimal in achieving high win-rate, partially explaining its widespread practical success. Because BoN remains susceptible to reward-hacking in this setting, we propose a simple and practical variant that provably eliminates reward-hacking while maintaining optimal statistical performance. Finally, we show that prior approaches are provably suboptimal when considering win-rate, highlighting the importance of choosing appropriate objectives when analyzing inference-time alignment methods.

Inference-time alignment methods, such as Best-of-$N$, offer a flexible alternative to training-based alignment by using reward models to select high-quality responses generated by a reference LLM. However, the efficacy of these methods is inherently limited by the response quality: if the reference LLM assigns negligible probability to high-reward responses, no selection strategy will succeed in finding aligned outputs. In this work, we propose Best-of-Better-$N$ (BoBN), an in context learning-based generation framework to address this challenge. Our method utilizes retrieval from high-reward examples relevant to the input query and task. Crucially, we introduce a restyling step where retrieved responses are rewritten by the reference LLM to align with the target task's format and style. These restyled examples are used in-context to shift the sampling distribution toward the high-reward region. We analytically characterize how in-context learning shifts the output distribution of pretrained transformers toward the high-reward region, resulting in provable benefits on the target task. We then evaluate BoBN on safety alignment and mathematical reasoning benchmarks across several reference LLMs. BoBN's higher-quality responses enable better performance to be achieved when the number of responses $N$ is fixed, and smaller $N$ required to achieve a target performance.

Best-of-N (BoN) sampling is the simplest and most widely deployed inference-time alignment strategy, but it suffers from two distinct problems: reward hacking, in which the selected response exploits errors in the proxy reward model, and the absence of any privacy protection for the sensitive human preference data used to train that reward model. We show that a single intervention-adding calibrated noise to reward scores before selection-resolves both. Our first result, Private Best-of-N (PrivBoN), establishes that Gumbel noise at an appropriate scale simultaneously provides $ε$-differential privacy and implements KL-regularized alignment. Whenever the privacy budget exceeds a critical threshold $ε^*$, the privacy-mandated noise is the regret-optimal regularization, and privacy imposes zero additional alignment cost-matching the information-theoretic skyline of Huang et al. (2025). Because $ε^*$ depends on an unknown coverage coefficient, we introduce Private Inference-Time Pessimism (PrivITP), which combines $χ^2$-regularized rejection sampling with a two-phase Gaussian mechanism. PrivITP achieves ex-post $(ε,δ)$-DP with a privacy cost independent of the number of responses $n$, cleanly decouples the regularization parameter from the privacy parameter, and attains the skyline up to a noise-inflation term. Experiments across several language models, datasets, and reward models confirm our results: PrivBoN and PrivITP are scaling-monotonic (unlike BoN, which degrades past a critical $n$), and PrivITP matches or outperforms PrivBoN at equivalent privacy levels, with the largest gains in the strong-privacy regime.