arXiv:2603.21717cs.LG2026-03

提升科学影像生成的可靠性与可解释性,支持跨场景泛化与异常检测。

Uncertainty-Aware Distribution-to-Distribution Flow Matching for Scientific Imaging

  • 基于随机流匹配框架,增强生成模型在分布偏移下的泛化能力。
  • 提出高效不确定性估计方法,实现对认知与随机不确定性的量化。
  • 适用于需高可信度的科研影像生成任务,如细胞成像与脑功能磁共振分析。

分布到分布的生成模型广泛应用于科学成像任务,如细胞扰动响应建模和跨条件医学图像转换。可信生成需具备可靠性(跨实验室、设备及实验条件的泛化能力)和可问责性(识别分布外情况)。本文采用随机流匹配(SFM),一种保持边际分布的随机扩展流匹配方法,通过引入扩散项与学习的基于得分的漂移修正,保留已学传输边际的同时建模条件变异性。在此基础上,提出贝叶斯随机流匹配(BSFM)作为配套不确定性量化机制,并开发抗逆方差缩减不确定性量化(AVUQ),通过样本高效的反向采样与近似后验推断,分别估计认知不确定性和随机不确定性。进一步利用AVUQ生成异常分数以检测不可靠生成。在细胞成像(BBBC021, JUMP)和脑功能磁共振(Theory of Mind)数据集上,面对多种未见场景的实验表明,SFM提升了泛化性能,而AVUQ在有限采样预算下实现了有效的不确定性驱动异常检测。

原文摘要 · Abstract (English)

Distribution-to-distribution generative models support scientific imaging tasks ranging from modeling cellular perturbation responses to translating medical images across conditions. Trustworthy generation requires reliability, or generalization across labs, devices, and experimental conditions, and accountability, or detecting out-of-distribution cases where predictions may be unreliable. We leverage Stochastic Flow Matching (SFM), a marginal-preserving stochastic extension of flow matching for improved generalization under distribution shift. SFM augments deterministic flows with a diffusion term together with a learned score-based drift correction, retaining the learned transport marginals while modeling conditional variability. Building on this SFM framework, we introduce Bayesian Stochastic Flow Matching (BSFM) as a companion uncertainty quantification mechanism and develop AVUQ (Antithetic Variance-reduction Uncertainty Quantification) to approximately estimate epistemic and aleatoric uncertainty via sample-efficient antithetic sampling with approximate posterior inference. We further use AVUQ to yield anomaly scores for unreliable generation detection. Experiments on cellular imaging (BBBC021, JUMP) and brain fMRI (Theory of Mind) across diverse unseen scenarios show that SFM improves generalization while AVUQ provides effective uncertainty-based anomaly scores under practical sampling budgets.

生成模型不确定性量化科学成像流匹配

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