Simulators driven by deep learning are gaining popularity as a tool for efficiently emulating accurate but expensive numerical simulators. Successful applications of such neural simulators can be found in the domains of physics, chemistry, and structural biology, amongst others. Likewise, a neural simulator for cellular dynamics can augment lab experiments and traditional computational methods to enhance our understanding of a cell's interaction with its physical environment. In this work, we propose an autoregressive probabilistic model that can reproduce spatiotemporal dynamics of single cell migration, traditionally simulated with the Cellular Potts model. We observe that standard single-step training methods do not only lead to inconsistent rollout stability, but also fail to accurately capture the stochastic aspects of the dynamics, and we propose training strategies to mitigate these issues. Our evaluation on two proof-of-concept experimental scenarios shows that neural methods have the potential to faithfully simulate stochastic cellular dynamics at least an order of magnitude faster than a state-of-the-art implementation of the Cellular Potts model.
翻译:由深层学习驱动的模拟器正在日益成为受欢迎的,它是一种有效模拟准确而昂贵的数字模拟器的工具。这种神经模拟器的成功应用可以在物理、化学和结构生物学等领域中找到。同样,细胞动态的神经模拟器可以增强实验室实验和传统的计算方法,以增进我们对细胞与其物理环境相互作用的理解。在这项工作中,我们提议一种自动递减概率模型,可以复制单细胞迁移的波形时空动态,传统上以细胞器模型模拟。我们观察到标准单步培训方法不仅导致不连贯的推出稳定性,而且未能准确捕捉到动态的随机方面,我们建议了减少这些问题的培训战略。我们对两种有说服力的实验情景的评估表明,神经方法有可能忠实地模拟细胞动态,其规模至少要快于细胞器模型的状态实施速度。