Organizations: 1Universit´e de Lorraine, CNRS, IJL, F-54000 Nancy, France · 2Universit´e de Lorraine, CNRS, Inria, IECL, F-54000 Nancy, France
Abstract
The multi-scale and non-linear nature of phase-field models of solidification requires fine spatial and temporal discretization, leading to long computation times. This could be overcome with artificial-intelligence approaches. Surrogate models based on neural operators could have a lower computational cost than conventional numerical discretization methods. We propose a new neural operator approach that bridges classical convex-concave splitting schemes with physics-informed learning to accelerate the simulation of phase-field models. It consists of a Deep Ritz method, where a neural operator is trained to approximate a variational formulation of the phase-field model. By training the neural operator with an energy-splitting variational formulation, we enforce the energy dissipation property of the underlying models. We further introduce a custom Reaction-Diffusion Neural Operator (RDNO) architecture, adapted to the operators of the model equations. We successfully apply the deep learning approach to the isotropic Allen-Cahn equation and to anisotropic dendritic growth simulation. We demonstrate that our physically-informed training provides better generalization in out-of-distribution evaluations than data-driven training, while achieving faster inference than traditional Fourier spectral methods.
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.
The spatiotemporal evolution of many physical, chemical, and biological systems is described by nonlinear partial differential equations (PDEs). Recently, deep neural network-based surrogate models have emerged as efficient alternatives to computationally expensive numerical PDE solvers. In this work, we propose a physics-constrained deep neural network as a surrogate model to learn the microstructural evolution of a binary mixture, in which conservation of the order parameter is imposed directly on the network output as a hard constraint. We train the model to accurately predict the time-evolution of phase separation in binary mixtures governed by the Cahn-Hilliard equation. We show that predictions from our trained surrogate model remain stable and accurate over long-time rollouts for both critical and off-critical mixtures and preserve the mixture composition throughout evolution. In contrast, a variant in which conservation is enforced only via a penalty term in the loss function drifts away from the initial composition and significantly loses predictive accuracy over the same rollout. This establishes that the hard constraint is essential for long-time stability and order parameter conservation. We also show that our model accurately captures the growth of domain size and is consistent with the Lifshitz-Slyozov domain-growth law. These results demonstrate the effectiveness of the proposed framework for modeling systems with conserved kinetics, and the construction extends directly to other systems with conserved quantities.
Neural operators are fast, differentiable surrogates for physical simulation, but their accuracy often degrades when domain geometry, size, or operating conditions differ from training. Supervised adaptation can recover accuracy, but even a small target set requires costly high-fidelity simulations. We therefore ask how pretraining and transfer can be designed together to reduce this deployment cost. LatentDDM first pretrains a neural operator to predict fields on small subdomains. For a new setting, it freezes this operator and trains only a lightweight module that composes the local predictions. We evaluate our method on two complementary problems: steady Darcy flow, where long-range pressure coupling must extend across increasingly large porous domains, and unsteady incompressible flow around a pitching airfoil, where rollout errors compound as target pitching frequencies exceed the training range. Compared with the capacity-matched models that process the full domain at once, LatentDDM's error is 36-56% lower on larger Darcy domains after adaptation with 16 target simulations. It also improves 20-step field rollouts in fast-pitching airfoil flow, both zero-shot and after few-shot calibration. These results identify the co-designed local pretraining and composition-level transfer as a promising design principle for physical foundation models.