Diversity Explains Inference Scaling Laws: Through a Case Study of Minimum Bayes Risk Decoding

Abstract: Inference methods play an important role in eliciting the performance of LLMs. Currently, LLMs use inference methods utilizing generated multiple samples, which can be derived from Minimum Bayes Risk (MBR) Decoding. Previous studies have conducted empirical analyses to clarify the improvements in generation performance achieved by MBR decoding and have reported various observations. However, the theoretical underpinnings of these findings remain uncertain. To address this, we offer a new theoretical interpretation of MBR decoding from the perspective of bias-diversity decomposition. In this interpretation, the error in the quality estimation of hypotheses by MBR decoding is decomposed into two main factors: bias, which considers the closeness between the utility function and human evaluation, and diversity, which represents the variability in the quality estimation of the utility function. The theoretical analysis reveals the difficulty of simultaneously improving bias and diversity, confirming the validity of enhancing MBR decoding performance by increasing diversity. Furthermore, we reveal that diversity can explain one aspect of inference scaling laws that describe performance improvement by increasing sample size. Moreover, experiments across multiple NLP tasks yielded results consistent with these theoretical characteristics. Our code is available at https://github.com/naist-nlp/mbr-bias-diversity.