提出首个可在度量图上高效采样的布朗运动模拟算法。
Sampling on Metric Graphs
- 基于欧拉-玛鲁亚马分解法设计时间步拆分算法
- 在星形图上实现比PyTorch快8000倍的并行加速
- 适用于真实脑血管网络的稳定高效采样
度量图是将标准图的边替换为实数线段并在顶点处粘合而成的结构,具有天然度量,可用于研究微分算子和随机过程。尽管布朗运动在这些域中的理论已有深入研究,但实际模拟算法仍较少。本文首次提出基于时间步拆分的欧拉-玛鲁亚马离散化方法,用于模拟度量图上的布朗运动,并由此得到首个在度量图上进行采样的算法。我们提供了算法收敛所需时间步拆分次数的理论保证,并证明模拟粒子的出界概率随时间步趋于零而收敛到原始随机微分方程的顶点-边跳跃概率。由于该方法高度可并行,我们实现了专用CUDA内核,对简单星形度量图,速度比使用PyTorch的GPU实现快约8000倍。在从DuMuX组织渗透模型提取的真实皮层血管网络上,本算法可在远大于有限体积法稳定极限的时间步下稳定运行,同时实现最高约1500倍的速度提升。
原文摘要 · Abstract (English)
Metric graphs are structures obtained by associating edges in a standard graph with segments of the real line and gluing these segments at the vertices of the graph. The resulting structure has a natural metric that allows for the study of differential operators and stochastic processes on the graph. Brownian motions in these domains have been extensively studied theoretically using their generators. However, less work has been done on practical algorithms for simulating these processes. We introduce the first algorithm for simulating Brownian motions on metric graphs through a timestep splitting Euler-Maruyama-based discretization of their corresponding stochastic differential equation. By applying this scheme to Langevin diffusions on metric graphs, we also obtain the first algorithm for sampling on metric graphs. We provide theoretical guarantees on the number of timestep splittings required for the algorithm to converge to the underlying stochastic process. We also show that the exit probabilities of the simulated particle converge to the vertex-edge jump probabilities of the underlying stochastic differential equation as the timestep goes to zero. Finally, since this method is highly parallelizable, we provide fast, memory-aware implementations of our algorithm in the form of custom CUDA kernels that are up to ~8000x faster than a GPU implementation using PyTorch on simple star metric graphs. Beyond simple star graphs, we benchmark our algorithm on a real cortical vascular network extracted from a DuMuX tissue-perfusion model for tracer transport. Our algorithm is able to run stable simulations with timesteps significantly larger than the stable limit of the finite volume method used in DuMuX while also achieving speedups of up to ~1500x.
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