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

Fuente: arXiv
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Autores principales: Huang, Audrey, Block, Adam, Liu, Qinghua, Jiang, Nan, Krishnamurthy, Akshay, Foster, Dylan J.
Formato: Preprint
Publicado: 2025
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author Huang, Audrey
Block, Adam
Liu, Qinghua
Jiang, Nan
Krishnamurthy, Akshay
Foster, Dylan J.
author_facet Huang, Audrey
Block, Adam
Liu, Qinghua
Jiang, Nan
Krishnamurthy, Akshay
Foster, Dylan J.
contents 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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id arxiv_https___arxiv_org_abs_2503_21878
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Is Best-of-N the Best of Them? Coverage, Scaling, and Optimality in Inference-Time Alignment
Huang, Audrey
Block, Adam
Liu, Qinghua
Jiang, Nan
Krishnamurthy, Akshay
Foster, Dylan J.
Artificial Intelligence
Machine Learning
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.
title Is Best-of-N the Best of Them? Coverage, Scaling, and Optimality in Inference-Time Alignment
topic Artificial Intelligence
Machine Learning
url https://arxiv.org/abs/2503.21878