The paper introduces a physics-constrained neural network surrogate that learns the microstructural evolution of binary mixtures governed by the Cahn‑Hilliard equation. By imposing conservation of the order parameter as a hard constraint on the network output, the model accurately predicts long‑time phase‑separation dynamics for both critical and off‑critical mixtures, maintaining mixture composition and matching the Lifshitz‑Slyozov domain‑growth law. A variant that enforces conservation only through a penalty term drifts from the initial composition and loses predictive accuracy over long rollouts, underscoring the necessity of the hard constraint for stability.
arXiv:2606. 26128v1 Announce Type: new Abstract: The spatiotemporal evolution of many physical, chemical, and biological systems is described by nonlinear partial differential equations (PDEs).
arXiv:2606. 24660v1 Announce Type: cross Abstract: 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.
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.
The paper presents a differentiable hybrid modelling framework that combines a JAX finite volume population balance solver with neural network components to learn constitutive laws and initial conditions directly from experimental data. This approach addresses biases from hand‑picked models and the limitations of black‑box surrogates, enabling more accurate transport predictions. The framework’s differentiability also facilitates optimisation of experimental settings for desired process outcomes.
The paper presents a differentiable hybrid modelling framework that combines a JAX finite volume population balance solver with learnable neural network components. This approach learns constitutive laws and initial conditions directly from experimental data, improving the fidelity of transport models in chemical engineering. The framework’s differentiability also enables optimisation of experimental settings for desired process outcomes.
arXiv:2603.27936v3 Announce Type: replace-cross Abstract: Nonlinear Partial Differential Equations (PDEs) are ubiquitous in mathematical physics and engineering. Although Physics-Informed Neural Netw...
arXiv:2608. 12624v1 Announce Type: new Abstract: Structure-preserving machine learning embeds physical structure directly into model architectures, yet uncertainty quantification (UQ) for such hard-constrained models remains limited because standard UQ methods may violate the encoded admissibility conditions, require architectural modifications, or impose substantial computational costs.
arXiv:2610.08475v1 Announce Type: new Abstract: In many-query scenarios, data-driven surrogate models provide an efficient alternative to high-fidelity solvers for simulating physical systems governe...
arXiv:2512.10309v3 Announce Type: replace-cross Abstract: Chemical reaction networks are widely used to model stochastic dynamics in biophysical processes. Their exact probabilistic description via t...
arXiv:2609.37113v1 Announce Type: new Abstract: Generalized reaction-diffusion systems encompass diverse transport mechanisms and coupled reaction kinetics. A central question for neural PDE solvers...
arXiv:2604. 07366v2 Announce Type: replace Abstract: Partial differential equations (PDEs) govern nearly every physical process in science and engineering, but solving them at scale remains prohibitively expensive.
arXiv:2505.14777v2 Announce Type: replace-cross Abstract: The design of effective optimization algorithms for neural networks remains a fundamental challenge, and most existing methods rely on heuris...