arXiv Machine Learning

PINNing the pion: conformal deep learning for $F_\pi(s)$ and the $(g-2)_\mu$ hadronic contribution

arXiv Machine Learning
Jun 5

When Attention Beats Fourier: Multi-Scale Transformers for PDE Solving on Irregular Domains

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.

By Brandon Yee, Pairie Koh, Jack Rodriguez, Mihir Tekal
arXiv Machine Learning
Sep 11

A variational physics-informed graph neural network for heterogeneous solid mechanics

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.

By Aashay Rajan Yadav, Amiya Prakash Das, Ratna Kumar Annabattula
arXiv Machine Learning
Sep 7

An Energy-Based Conservative-Dissipative Latent Neural Evolution Operator for Magnetization Dynamics

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.

By Sebastian Schaffer, Lukas Exl
arXiv AI
Aug 26

Learning the Kohn-Sham map with neural operators for quasi-linear scaling density functional theory

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.

By Danish Khan, Maurice D. Hanisch, Nikolai Argatoff, Evan Xie, Sandeep Sharma, Anima Anandkumar
arXiv Machine Learning
Jun 25

Two-dimensional Hyperbolic RNN Neural Quantum State

arXiv:2606. 25600v1 Announce Type: cross Abstract: In the first part of this work, we construct the first type of two-dimensional (2D) hyperbolic neural quantum state (NQS) in the form of the Lorentz 2DRNN (Recurrent Neural Network) and benchmark its performance against the Euclidean 2DRNN in the paradigmatic $N\times N$ 2D Transverse Field Ising Model (2DTFIM) setting with different lattice sizes up to $N=12$ and at different transverse magnetic field strengths.

By H. L. Dao
arXiv Machine Learning
Aug 27

When Does Frequency Decomposition Benefit Physics-Informed Neural Networks? A Preliminary Ablation Study

The paper investigates when frequency decomposition aids Physics-Informed Neural Networks (PINNs) by introducing a dual‑branch, spectrally‑gated architecture (DBSG‑PINN) that separates low‑ and high‑frequency components. Experiments on five one‑dimensional PDE benchmarks show that frequency decomposition significantly reduces error—up to 59.2% on a multimodal wave problem—when the target solution is spectrally complex, but offers little improvement on smoother problems and can even worsen performance on a simple 1D wave benchmark. The adaptive gate’s effectiveness scales with the spectral richness of the solution, suggesting it exploits frequency structure rather than adding noise.

By Shubham Rai