用神经网络学习含非二次耗散的热力学系统演化规律
Nonlinear GENERIC-Embedded Neural Networks (N-GENNs): Learning GENERIC dynamics with non-quadratic dissipation potentials

- 将GENERIC框架嵌入神经网络,通过凸耗散势建模非线性耗散过程
- 在三个典型系统上成功恢复热力学一致的动力学方程
- 适合研究复杂耗散系统的数据驱动建模与物理可解释性分析
我们提出非线性GENERIC嵌入神经网络(N-GENNs),一种用于发现由非线性GENERIC形式主义(非平衡可逆-不可逆耦合通用方程)支配系统的演化方程的深度学习框架。这类系统表现出耦合的保守与耗散动力学,可通过哈密顿流与广义梯度流的叠加描述。与现有方法不同,我们的方法通过凸耗散势引入广义梯度流,能够识别更广泛的热力学一致动力学,包括具有非二次耗散势的系统。热力学结构通过适当的可逆算子和耗散势重参数化严格构造,确保精确满足热力学第一、第二定律。我们在三个代表性例子上验证了该方法:与热浴耦合的谐振子、理想化化学马达,以及Perzyna型一维粘塑性模型。结果表明,该方法能从数据中准确推断出同时包含保守与非线性耗散动力学的热力学一致模型。
原文摘要 · Abstract (English)
We introduce Nonlinear GENERIC-Embedded Neural Networks (N-GENNs), a deep learning framework for discovering evolution equations of systems governed by the nonlinear GENERIC formalism (General Equation for Non-Equilibrium Reversible-Irreversible Coupling). Such systems exhibit coupled conservative and dissipative dynamics, and can be described via the superposition of a Hamiltonian flow and a generalized gradient flow. In contrast to existing approaches, our formulation incorporates generalized gradient flows via convex dissipation potentials, enabling the identification of a broader class of thermodynamically consistent dynamics, including systems with non-quadratic dissipation potentials. Thermodynamic structure is strongly enforced by construction through suitable reparameterizations of both the reversible operator and the dissipation potential, ensuring exact compliance with the first and second laws of thermodynamics. We validate the proposed approach on three representative examples: a harmonic oscillator coupled to a heat bath, an idealized chemical motor, and a one-dimensional viscoplastic model of Perzyna type. These results demonstrate the method's ability to accurately infer thermodynamically consistent models from data for systems incorporating both conservative and nonlinear dissipative dynamics.
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