用进化算法在流模型残差空间中实现无需梯度的可控数据编辑
Residual-Space Evolutionary Optimization via Flow-based Generative Models

- 在残差空间中结合进化算法,不依赖梯度即可优化生成结果
- 自花授粉与异花授粉策略平衡局部优化与全局探索,提升多样性
- 适用于图像和科学数据(如晶体结构),突破传统梯度依赖限制
基于流模型的数据编辑通常需要可微目标函数和基于梯度的搜索,但在流模型中,编辑通过前向与反向积分进行,常涉及不可微或黑箱目标。本文提出残差空间进化优化,一种与模型无关的框架,将流模型生成编辑与进化算法结合。基于条件流匹配(CFM)能解耦条件控制因素与实例特异性残差的观察,该框架直接在残差空间操作,并分离出两种互补的搜索机制:自花授粉通过保持特征的残差精炼实现局部利用;异花授粉通过重组异构样本的残差促进广泛探索。以MorphoMNIST(反事实生成基准)和晶体数据为验证,结果表明该探索-利用分解有效平衡了目标对齐、实例保真与多样性,且可扩展至真实科学领域。
原文摘要 · Abstract (English)
Data editing with generative methods typically requires differentiable objectives and gradient-based search. However, these assumptions break down in flow-based settings, where edits are performed through forward and backward integration and often involve non-differentiable or black-box objectives. We introduce residual-space evolutionary optimization, a model-agnostic framework that addresses this gap by combining flow-based generative editing with evolutionary algorithms. Building on the observation that conditional flow matching (CFM) can disentangle condition-controlled factors from instance-specific residuals, our framework directly operates in residual space and separates two complementary search regimes: self-pollination performs local exploitation through feature-preserving residual refinement, and cross-pollination promotes broader exploration by recombining residuals across heterogeneous samples. As a proof of concept, we validate on MorphoMNIST, a benchmark dataset for counterfactual generation, and on crystal data, demonstrating that this exploration--exploitation decomposition provides a useful mechanism for balancing target alignment, instance preservation, and diversity, and extends beyond images to real-world scientific domains.
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