用统一神经网络同时约束热力学与信息论规律,实现跨领域熵预测。
Physics-Informed Deep Learning for Entropy Prediction in Heterogeneous Systems: Thermodynamic and Information-Theoretic Case Studies

- 构建统一框架,用软阈值约束保证热力学第二定律和扩散正性。
- 仅用30%数据仍保持90%以上精度,且无热力学违规。
- 适用于化工过程设计与金融风险建模等跨领域场景。
熵产生决定了物理与信息系统的不可逆性与不确定性。尽管物理信息神经网络(PINNs)能求解微分方程,但现有架构仍具领域特异性。在根本不同的物理规律间提取不变的熵表征仍属空白。本文提出统一的物理信息深度学习(PIDL)框架,将微分方程残差与信息论边界同时嵌入单一神经网络。通过两个典型案例验证:(i) 热力学连续搅拌釜反应器(CSTR)模型求解常微分方程,采用Softplus约束严格满足热力学第二定律;(ii) 信息论金融市场的反向福克-普朗克偏微分方程求解,通过Softplus约束确保扩散项正性并自然诱导香农熵。对比三种模型:两种领域专用基线与一种共享编码器结构。PIDL框架确保绝对热力学可接受性,零违反第二定律,具备优异数据效率,仅用30%训练数据仍保持>90%预测准确率。此外,后验鲁佩纳尔黎曼几何分析成功识别出热力学相变不稳定性。该方法为物理约束的熵建模提供稳健、领域无关的架构,推动可持续过程设计与量化金融风险评估应用。
原文摘要 · Abstract (English)
Entropy production governs irreversibility and uncertainty in both physical and information-theoretic systems. While Physics-Informed Neural Networks (PINNs) successfully solve differential equations, current architectures remain inherently domain-specific. The extraction of domain-invariant entropy representations across fundamentally different physical laws remains unexplored. This paper introduces a unified Physics-Informed Deep Learning (PIDL) framework that simultaneously enforces differential equation residuals and information-theoretic bounds within a single neural architecture. We demonstrate this framework via two canonical studies: (i) a thermodynamic continuous stirred-tank reactor (CSTR) model solving governing ODEs, where a Softplus constraint strictly enforces the Second Law of Thermodynamics; and (ii) an information-theoretic financial market model solving the inverse Fokker-Planck PDE to infer latent drift and diffusion coefficients, guaranteeing diffusion positivity via a Softplus constraint while naturally inducing Shannon entropy. Three model variants are evaluated: two domain-specific baselines and one shared-encoder architecture. The PIDL framework guarantees absolute thermodynamic admissibility with zero Second-Law violations and exhibits exceptional data efficiency, retaining >90% predictive accuracy using merely 30% of available training data. Furthermore, a post-hoc Ruppeiner Riemannian geometric analysis of the learned entropy surface successfully identifies thermodynamic phase instabilities. This methodology provides a robust, domain-agnostic architecture for physics-constrained entropy modeling, advancing applications in sustainable process design and quantitative financial risk assessment.
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