让生成模型反向设计输出分布,实现精准调控。
Inverse Design for Conditional Distribution Matching

- 提出条件分布匹配新范式,从点对点逆设计升级为分布对齐。
- 设计MLGD-F算法,无需训练即可高效求解,支持快速采样与梯度计算。
- 适用于图像编辑、结构变换等需控制输出分布的场景。
生成模型能从学习到的条件分布 $\mathcal{P}(Y \mid X)$ 中采样,而传统逆设计方法仅针对单个输出点 $y^*$ 寻找输入 $x$。然而许多设计目标本质上是分布性的,需考虑 $Y$ 的不确定性并匹配特定分布形式,现有方法无法满足。为此,本文提出条件分布匹配(CDM):给定联合分布 $\mathcal{P}(X, Y)$ 和目标分布 $\mathcal{G}(Y)$,寻找输入 $x^*$ 使得其诱导的条件分布 $\mathcal{P}(Y \mid X = x^*)$ 与 $\mathcal{G}$ 匹配。定义了两种变体:条件分布匹配采样(CDMS)和优化(CDMO)。提出 MLGD-F(匹配损失引导扩散 + 快速内采样器),结合预训练得分扩散模型与快速条件采样器,无需额外训练或微调。通过单步条件采样实现可计算梯度,使 $\mathcal{P}(Y \mid X)$ 估计兼具内存效率与计算轻量。在合成基准、结构化图像变换及生成编辑优化中验证,可靠恢复出使条件分布匹配用户指定目标(包括离散混合分布与连续低秩支撑)的输入。
原文摘要 · Abstract (English)
Generative models are powerful tools for sampling from a learned distribution $\mathcal{P}(Y \mid X)$, and inverse-design methods invert this map to find an input $x$ that produces a desired point output $y^*$. However, many design goals are naturally distributional rather than pointwise, incorporating the inherent uncertainty of $Y$ and targeting a specific form for it, a task not addressed by standard inverse design. To address this issue we introduce Conditional Distribution Matching (CDM), a new inverse-design problem class in generative modeling: given a joint distribution $\mathcal{P}(X, Y)$ and a target distribution $\mathcal{G}(Y)$, find an input $x^*$ whose induced conditional distribution $\mathcal{P}(Y \mid X = x^*)$ matches $\mathcal{G}$. We formally define two variants: Conditional Distribution Matching Sampling (CDMS) and Conditional Distribution Matching Optimization (CDMO). To solve these problems, we propose MLGD-F (Matching-Loss Guided Diffusion with a Fast inner sampler), a plug-and-play inference-time algorithm that combines a pretrained score-based diffusion model with a pretrained fast conditional sampler, requiring no additional training or fine-tuning. By leveraging single-step conditional sampling, MLGD-F enables tractable gradient computation, making the estimation of $\mathcal{P}(Y \mid X)$ both memory-efficient and computationally lightweight. We validate MLGD-F on synthetic benchmarks, structured image transformations, and generative editing optimization, demonstrating reliable recovery of inputs whose conditional distributions match diverse user-specified targets, including discrete mixtures and continuous low-rank supports.
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