arXiv Machine Learning

SPLIT-PINN: Separable Probability Learning Technique via Physics-Informed Neural Networks for High-Dimensional Probabilistic Modeling

arXiv:2606. 04000v1 Announce Type: cross Abstract: We present a probabilistic modeling framework for incorporating small-scale spatial heterogeneity into macroscopic descriptions of material behavior for polycrystalline metallic materials.

Hugging Face Trending Papers
Jul 7

A Physics-Informed Neural Network Framework for Elastodynamic Wave Propagation in Bimaterial Systems

Physics-informed neural networks (PINNs) provide a promising framework for solving partial differential equations while embedding the underlying physical laws directly into the learning process. This study presents a PINN-based framework for modeling transient elastodynamic wave propagation in bimaterial systems governed by the axisymmetric equations of linear elasticity.

arXiv AI
Jun 6

Finite Element-Based Material Learning via Automatic Differentiation: Learning constitutive neural network models from full-field deformation data

arXiv:2606. 05199v1 Announce Type: cross Abstract: The identification of constitutive neural network models from heterogeneous full-field deformation data provides a robust alternative to traditional calibration methods based on homogeneous stress-strain experiments, particularly given the high dimensionality of trainable parameters.

By Matthias Knipper, Chenyi Ji, Malte Brand, Kevin Linka
arXiv Machine Learning
Sep 24

An Adaptive Machine Learning Framework for Fluid Flow in Dual-Network Porous Media

The paper introduces a physics-informed neural network (PINN) framework for modeling fluid flow in dual‑network porous media, specifically addressing double porosity/permeability (DPP) systems. The framework embeds governing equations and boundary conditions into the loss function with adaptive weighting, employs dynamic collocation point selection, and uses shared trunk architectures to efficiently capture coupled pore‑network behavior. It is mesh‑free, accurately handles discontinuities across layered domains, and supports robust inverse analysis for parameter identification, with a systematic convergence study validating its stability and accuracy.

By V. S. Maduri, K. B. Nakshatrala
arXiv Machine Learning
Jun 9

Inverse design of bespoke interatomic potentials via active learning by information-matching

arXiv:2606. 08148v1 Announce Type: cross Abstract: Interatomic potentials (IPs) enable large-scale atomistic simulations beyond the reach of first-principles methods, but their predictive reliability depends critically on the selection of training data, quantified uncertainty, and model expressiveness.

By Yonatan Kurniawan (Department of Physics and Astronomy, Brigham Young University, Provo, UT, USA), Logan D. Williams (Lawrence Livermore National Laboratory, Livermore, CA, USA), Amit Samanta (Lawrence Livermore National Laboratory, Livermore, CA, USA), Ilia Nikiforov (Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, MN, USA), Daniel Schwalbe-Koda (Department of Materials Science and Engineering, University of California, Los Angeles, CA, USA), Mark K. Transtrum (Cross Stream Consulting, Springville, UT, USA), Ellad B. Tadmor (Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, MN, USA), Vincenzo Lordi (Lawrence Livermore National Laboratory, Livermore, CA, USA), Vasily V. Bulatov (Lawrence Livermore National Laboratory, Livermore, CA, USA)
arXiv Machine Learning
Sep 10

Atomistic Modeling of Chemical Disorder in Materials: Bridging Conventional Methods and AI-Assisted Approaches

The article reviews strategies for modeling chemical disorder in materials, addressing the gap between experimental descriptions of disorder and the detailed configurations required for atomistic simulations and AI workflows. It evaluates traditional approaches such as mean-field theories, cluster expansion, and Monte Carlo, alongside emerging AI-powered methods like universal interatomic potentials and generative models. The review also discusses how AI can accelerate computational schemes and enable disorder-native capabilities, providing a roadmap for integrating disorder into realistic AI-accelerated materials discovery.

By Jiayu Peng, Peichen Zhong
arXiv Machine Learning
Sep 15

Physics-Constrained Neural Surrogate for Domain Growth Prediction in Systems with Conserved Kinetics

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.

By Vijay Yadav, Pallvi Pandey, Madhu Priya, Manish Dev Shrimali, Prabhat K. Jaiswal