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arXiv:2605. 08318v2 Announce Type: replace Abstract: We study the problem of \emph{architecture selection} for deep learning models trained to solve partial differential equations (PDEs), asking when transformer-based architectures with learned attention outperform Fourier-domain neural operators.
The paper introduces a variational, label‑free physics‑informed graph neural network (PI‑GNN) that models heterogeneous solid mechanics by embedding material heterogeneity into the discretization rather than the neural network’s trial field. The PI‑GNN operates on a conforming adaptive mesh graph, assigns constitutive behavior per element, and minimizes the discrete total potential energy without penalty terms or interface weights, yielding a discrete energy equivalent to the finite element Ritz functional. Across small‑strain elasticity and finite‑strain Neo‑Hookean hyperelasticity in 2D and 3D, the method achieves von Mises errors below 3.58 % over a wide stiffness‑contrast range, outperforming strong‑form PINNs and reducing displacement errors significantly.
The paper presents an energy‑based reduced‑order model for micromagnetic magnetization dynamics that couples a convolutional autoencoder with a latent neural ODE. The latent dynamics are driven by a learned scalar potential via an antisymmetric operator and a symmetric dissipative operator, ensuring monotonic energy decrease while allowing motion along level sets. The model is trained solely on short trajectory windows without explicit physical labels, and shows that antisymmetric‑dissipative and deep‑quadratic energy formulations yield superior long‑term trajectory predictions compared to purely dissipative models.
The paper presents a neural operator that learns the Kohn–Sham map, directly predicting electron density from the Kohn–Sham potential without orbital diagonalization. Using a domain‑invariant SE(3)‑equivariant Fourier neural operator trained on 8,504 molecules and solids, the model achieves quasi‑linear scaling self‑consistent field (SCF) convergence across diverse systems—including organic molecules, insulators, and metals—while reproducing Kohn–Sham DFT accuracy for densities, spectra, and structural observables. This enables large‑scale simulations, such as magnesium dislocation densities with 82,500 valence electrons, on a single GPU.
arXiv:2606. 25971v1 Announce Type: new Abstract: Modern neural network training relies on optimizers such as Adam and Muon which act on each weight matrix as a single object.
arXiv:2602. 12706v2 Announce Type: replace Abstract: Neural operators have emerged as fast surrogate solvers for parametric partial differential equations (PDEs).