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Is Best-of-N the Best of Them? Coverage, Scaling, and Optimality in Inference-Time Alignment

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arxiv 2503.21878 v2 pith:DT7KGEF3 submitted 2025-03-27 cs.AI cs.LGstat.ML

classification cs.AIcs.LGstat.ML
keywords performanceinference-timealignmentcoveragerewardcomputationcomputehacking
verification ladder T0 review T1 audit T2 compute T3 formal
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abstract

Inference-time computation offers a powerful axis for scaling the performance of language models. However, naively increasing computation in techniques like Best-of-N sampling can lead to performance degradation due to reward hacking. Toward a theoretical understanding of how to best leverage additional computation, we focus on inference-time alignment, which we formalize as the problem of improving the quality of responses drawn from a pre-trained policy, given a prompt of interest and access to an imperfect reward model. We analyze the performance of inference-time alignment algorithms in terms of (i) response quality, and (ii) compute, and provide new results that highlight the importance of the pre-trained policy's coverage over high-quality responses for performance and compute scaling: 1. We show that Best-of-$N$ alignment with an ideal choice for $N$ can achieve optimal performance under stringent notions of coverage, but provably suffers from reward hacking when $N$ is large, and fails to achieve tight guarantees under more realistic coverage conditions. 2. We introduce $\texttt{InferenceTimePessimism}$, a new algorithm which mitigates reward hacking through deliberate use of inference-time compute, implementing the principle of pessimism in the face of uncertainty via rejection sampling; we prove that its performance is optimal and does not degrade with $N$, meaning it is scaling-monotonic. We complement our theoretical results with an experimental evaluation that demonstrate the benefits of $\texttt{InferenceTimePessimism}$ across a variety of tasks and models.

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Cited by 7 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

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    A joint scaling law: post-RL chess and math performance is predictable from pretraining loss, RL improvement rate grows with pretraining tokens, and RL both amplifies and discovers moves depending on difficulty.

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    Smoothed Best-of-N has finite-sample KL and regret bounds under imperfect reward models, and tuning its temperature can make its regret bound beat hard Best-of-N in the overoptimization regime.

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  4. RewardAnything: Generalizable Principle-Following Reward Models

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    RewardAnything follows natural-language reward principles at inference time and, with the new RABench benchmark, demonstrates that principle-conditioned listwise training beats fixed-preference reward models on held-o...

  5. Test-time reward-guided alignment of language models by importance sampling on pre-logit space

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    A fixed ReLU penalty and a semantically labeled cost model are proposed to make RLHF safer, but the 'certifiable' guarantee is not fully supported.

  7. Revisiting Test-Time Scaling: A Survey and a Diversity-Aware Method for Efficient Reasoning

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