arXiv:2410.12665cond-mat.softcond-mat.stat-mech2024-10被引 4

用物理规律指导生成模型,实现多尺度模式精准控制

Hamiltonian bridge: A physics-driven generative framework for targeted pattern control

  • 基于哈密顿桥梁框架,将随机控制与非平衡系统动力学结合
  • 在相分离、流体液滴自组装等场景中成功生成目标模式
  • 适合研究复杂系统建模与工程化模式设计的科研人员

模式在众多科学系统中自发出现,其研究传统聚焦于时空演化机制。当前趋势转向在各类功能场景中主动控制这些模式,具有工程意义。本文结合非平衡系统中模式形成的通用动力学规律与随机最优控制方法,提出一种名为‘哈密顿桥梁’的生成框架,可实现多尺度模式控制。通过将随机多体拉格朗日物理映射到确定性欧拉型模式形成偏微分方程,我们借鉴基于费曼-卡茨伴随路径积分的方法,将其拓展至对模式场的主动控制。在数值实验中,展示了该框架在无守恒序参量与有守恒序参量的相分离、流体液滴自组装、耦合反应-扩散方程及组织时空分化现象中的适用性。我们从理论角度解释了底层物理如何塑造模式流形几何,改变模式传输路径与插值方式。最后,通过迭代控制协议,将模式形成偏微分方程作为梯度流处理,实现复杂模式生成。本研究系统地将物理先验引入非平衡系统中跨尺度的模式生成框架。

原文摘要 · Abstract (English)

Patterns arise spontaneously in a range of systems spanning the sciences, and their study typically focuses on mechanisms to understand their evolution in space-time. Increasingly, there has been a transition towards controlling these patterns in various functional settings, with implications for engineering. Here, we combine our knowledge of a general class of dynamical laws for pattern formation in non-equilibrium systems, and the power of stochastic optimal control approaches to present a framework that allows us to control patterns at multiple scales, which we dub the "Hamiltonian bridge". We use a mapping between stochastic many-body Lagrangian physics and deterministic Eulerian pattern forming PDEs to leverage our recent approach utilizing the Feynman-Kac-based adjoint path integral formulation for the control of interacting particles and generalize this to the active control of patterning fields. We demonstrate the applicability of our computational framework via numerical experiments on the control of phase separation with and without a conserved order parameter, self-assembly of fluid droplets, coupled reaction-diffusion equations and finally a phenomenological model for spatio-temporal tissue differentiation. We interpret our numerical experiments in terms of a theoretical understanding of how the underlying physics shapes the geometry of the pattern manifold, altering the transport paths of patterns and the nature of pattern interpolation. We finally conclude by showing how optimal control can be utilized to generate complex patterns via an iterative control protocol over pattern forming pdes which can be casted as gradient flows. All together, our study shows how we can systematically build in physical priors into a generative framework for pattern control in non-equilibrium systems across multiple length and time scales.

模式控制生成模型非平衡系统物理驱动

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