从时间快照中同时识别随机过程的漂移、扩散与因果结构
Identifying Drift, Diffusion, and Causal Structure from Temporal Snapshots
- 基于线性漂移和加性扩散假设,从边际分布联合推断SDE参数
- 证明在初始分布无广义旋转对称时,几乎总可恢复真实漂移与扩散
- 提出APPEX算法,仅凭时间快照即可重构因果图,适合单细胞数据建模
随机微分方程(SDE)是建模基因调控网络、污染物传输、金融市场及图像生成等动态过程的核心工具。然而,当个体轨迹不可观测时,从数据中学习潜在SDE极具挑战。受单细胞测序研究推动,本文首次提出一种综合方法,仅从时间边际分布联合识别线性漂移与加性扩散项。我们证明:若初始分布不存在广义旋转对称性,则参数可唯一确定;即使存在该对称性,仍几乎总能恢复真实参数。进一步,我们证明具有加性扩散的SDE其因果图可由恢复出的参数重建。为支持理论,我们引入熵正则化最优传输处理各向异性扩散,并提出APPEX(从$X_0$交替投影参数估计)算法,通过迭代降低KL散度逼近真解。在加性噪声线性SDE模拟数据上验证了其有效性。
原文摘要 · Abstract (English)
Stochastic differential equations (SDEs) are a fundamental tool for modelling dynamic processes, including gene regulatory networks (GRNs), contaminant transport, financial markets, and image generation. However, learning the underlying SDE from data is a challenging task, especially if individual trajectories are not observable. Motivated by burgeoning research in single-cell datasets, we present the first comprehensive approach for jointly identifying the drift and diffusion of an SDE from its temporal marginals. Assuming linear drift and additive diffusion, we show that non-identifiability can only arise if the initial distribution possesses generalized rotational symmetries. We further prove that even if this condition holds, the drift and diffusion can almost always be recovered from the marginals. Additionally, we show that the causal graph of any SDE with additive diffusion can be recovered from the identified SDE parameters. To complement this theory, we adapt entropy-regularized optimal transport to handle anisotropic diffusion, and introduce APPEX (Alternating Projection Parameter Estimation from $X_0$), an iterative algorithm designed to estimate the drift, diffusion, and causal graph of an additive noise SDE, solely from temporal marginals. We show that APPEX iteratively decreases Kullback-Leibler divergence to the true solution, and demonstrate its effectiveness on simulated data from linear additive noise SDEs.
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