TreeBoN: Enhancing Inference-Time Alignment with Speculative Tree-Search and Best-of-N Sampling

Abstract: Inference-time alignment enhances the performance of LLMs without requiring additional training or fine-tuning but presents challenges due to balancing computational efficiency with high-quality output. Best-of-N (BoN) sampling, as a simple yet powerful approach, generates multiple responses and selects the best one, achieving improved performance but with a high computational cost. We propose TreeBoN, a novel framework that integrates a speculative tree-search strategy into Best-of-N (BoN) Sampling. TreeBoN maintains a set of parent nodes, iteratively branching and pruning low-quality responses, thereby reducing computational overhead while maintaining high output quality. Our approach also leverages token-level rewards from Direct Preference Optimization (DPO) to guide tree expansion and prune low-quality paths. We evaluate TreeBoN using AlpacaFarm, HH-RLHF, UltraFeedback, GSM8K, and TutorEval datasets, demonstrating consistent improvements. Specifically, TreeBoN achieves the highest win rate of 65% on TutorEval and around 60% win rates across other different datasets, outperforming standard BoN with the same computational cost and showcasing its scalability and alignment efficacy.