用熵率设计采样点分布,提升低预算下生成模型质量
Entropy Across the Bridge: Conditional-Marginal Discretization for Flow and Schrödinger Samplers

- 基于条件-边缘熵率构建无需训练的推理调度策略
- 2维模型中10步采样MMD降低18.1%,5步FID达186.3
- 适用于低计算预算的生成模型,尤其适合蛋白质生成
在固定推理预算下,流模型的采样质量高度依赖采样器分配函数评估次数的位置。流匹配与薛定谔桥定义概率路径,但其推理网格通常为启发式或继承自单端点扩散过程。本文推导出一种桥感知的条件-边缘熵率目标,将端点条件下的桥几何与边缘流演化分离,并据此构建从第一性原理出发的无训练熵率推理时调度器。对于高斯布朗桥,该熵率有闭合形式且呈U形,支持边界密集的非均匀网格。在训练好的二维桥/流模型上,估计的熵率曲线复现预测形状,10步ODE-Heun的MMD相比线性网格提升18.1%,相同低NFE下SDE-Heun提升22.7%。在EDM/CIFAR-10上,熵率时间离散化实现最优五步FID(186.3 ± 4.0),优于线性(200.5 ± 2.9)和余弦(238.0 ± 5.3)。在AlphaFlow蛋白质生成任务中,熵率条件-边缘调度在低NFE下于CAMEO22和ATLAS基准上均表现更优。结果表明,熵率调度是高维桥与流采样器在低预算下的实用分配信号。
原文摘要 · Abstract (English)
For a fixed flow-based generative model under a small inference budget, sample quality can depend strongly on where the sampler spends its few function evaluations. Flow matching and Schrödinger bridges define probability paths, yet their inference grids are usually heuristic or inherited from one-endpoint diffusion. We derive a conditional-marginal entropy-rate objective for bridge-aware discretization, separating endpoint-conditioned bridge geometry from marginal flow evolution, and use it to build a training-free entropic inference-time scheduler from first principles. For Gaussian Brownian bridges this rate is closed-form and U-shaped, motivating boundary-heavy nonuniform grids. On trained two-dimensional bridge/flow models, the estimated profile recovers the predicted shape and improves 10-step ODE-Heun MMD over linear by 18.1%, with a paired 22.7% SDE-Heun improvement in the same low-NFE sweep. On EDM/CIFAR-10, the entropic time-discretization gives the best tested five-step FID (186.3 \pm 4.0 versus 200.5 \pm 2.9 for linear and 238.0 \pm 5.3 for cosine). On AlphaFlow protein generation, entropic conditional-marginal (cond-marg) scheduling shows advantage in low-NFE regimes on both CAMEO22 and ATLAS benchmarks. These results support entropy-rate scheduling as a practical low-budget allocation signal for high-dimensional bridge and flow samplers.
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