arXiv:2606.24660q-bio.QMcs.LG2026-06

用少量数据精准反推相场模型的自由能结构

Extended pseudo-spectral physics-informed neural networks for phase-field models

论文配图:Extended pseudo-spectral physics-informed neural networks for phase-field models
图 1 · 摘自论文原文
  • 结合谱方法与物理约束,从瞬时数据中同时恢复化学势和梯度系数
  • 单对快照即可恢复关键物性参数,噪声下仍保持稳定重建
  • 适合材料演化模拟中数据稀缺但需物理一致性的研究场景

相场模型在相分离的连续描述中起核心作用,其中体自由能密度和界面厚度参数决定图案形成与微结构演化。实践中这些本构量通常未知,需从有限动态观测数据中推断。本文提出扩展伪谱物理信息神经网络(ESPINN)框架,用于从瞬时快照数据中逆向识别相场模型,可同时恢复体化学势与未知梯度系数。一维Cahn-Hilliard方程的数值实验表明,在无噪声条件下实现精确且统计稳定的重构,即使仅凭一对快照也能获取显著的本构信息。在噪声存在时,重建精度平稳下降,增加快照数量可降低多轮运行间的方差,提升鲁棒性。结果证明ESPINN是一种数据高效且物理一致的方法,适用于相分离连续模型中自由能结构的学习。

原文摘要 · Abstract (English)

Phase-field models play a central role in the continuum description of phase separation, in which the bulk free-energy density and the interfacial thickness parameter determine pattern formation and microstructural evolution. In practice, these constitutive quantities are rarely known a priori and must be inferred from limited dynamical observations. In this work, an extended pseudo-spectral physics-informed neural network (ESPINN) framework is developed for the inverse identification of phase-field models from transient snapshot data. It enables the simultaneous recovery of both the bulk chemical potential and unknown gradient coefficients. Numerical experiments on the one-dimensional Cahn-Hilliard equation demonstrate accurate and statistically stable reconstruction in the noiseless regime, with substantial constitutive information recoverable from even a single snapshot pair. In the presence of noise, reconstruction accuracy degrades gracefully, and increasing the number of snapshots improves robustness by reducing variance across runs. These results establish ESPINN as a data-efficient and physically consistent approach for learning free-energy structure in continuum models of phase separation.

相场模型物理信息网络逆问题

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