证明了离散扩散模型在分数估计上接近理论最优采样效率。
Minimax Optimality of Score-Entropy Discrete Diffusion
- 通过极大极小下界分析,揭示分数估计的统计极限。
- 提出基于MLE的阈值估计器,逼近理论下界。
- 适用于自然语言与图数据,为模型设计提供理论依据。
离散扩散模型在自然语言和图结构数据等多类任务中表现优异。其中,分数熵离散扩散(SEDD)取得了显著的实证成果。SEDD通过迭代评估一系列具体分数函数生成新样本,这些分数函数通过最小化分数熵损失学习得到。以往理论研究多关注小误差假设下的采样效率,近期开始探讨分数估计的有限样本性质。本文另辟蹊径,研究具体分数估计的根本统计极限。聚焦均匀与掩码两种最广泛使用的离散扩散模型,建立了分数熵损失下的极大极小下界,并提出一种基于MLE的阈值估计器,其性能与该下界仅差常数及依赖邻域密度比的多项式对数因子。进一步证明,在任一目标分布下,该密度比在两种模型中均被自然控制,从而获得聚合分数估计误差的近乎匹配的极大极小上下界。结果表明,只要初始化和离散化得当,SEDD可实现以目标与生成分布间KL散度衡量的近似最优极小极大样本复杂度。
原文摘要 · Abstract (English)
Discrete diffusion models have demonstrated strong performance across a range of datasets, including natural language data and graph-structured data. Among many variants, score-entropy discrete diffusion (SEDD) has achieved particularly strong empirical results. In SEDD, new samples are generated by iteratively evaluating a sequence of concrete score functions, which are learned by minimizing a score-entropy loss. While much of the prior theoretical literature on discrete diffusion has focused on the sampling efficiency of SEDD under the assumption of small score estimation error, recent work has begun to investigate the finite-sample properties of score estimation itself. In this work, we take a different route by investigating the fundamental statistical limits of concrete score estimation. We focus on uniform and masking discrete diffusions, two of the most widely adopted discrete diffusion models. We establish a minimax lower bound under the score-entropy loss, and propose an MLE-based thresholding estimator that matches this lower bound up to constant and polylogarithmic factors that depend on neighboring density ratios. We further show that, for any target distribution, this density ratio is naturally controlled under both uniform and masking discrete diffusion models, yielding nearly matching minimax lower and upper bounds for the aggregated score estimation error. Our results imply that, with appropriate initialization and discretization, SEDD can achieve nearly optimal minimax sample complexity, as measured by the KL divergence between the target and generated distributions.
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