arXiv Machine Learning

Learning Macroscopic Dynamics without Reconstructing Microscopic States

arXiv Machine Learning
Sep 23

Simulation-free Structure Learning for Stochastic Population Dynamics

arXiv:2510.16656v2 Announce Type: replace Abstract: Modeling dynamical systems and unraveling their underlying structural dependencies is central to many domains in the natural sciences. Various phys...

By Noah El Rimawi-Fine, Adam Stecklov, Lucas Nelson, Mathieu Blanchette, Alexander Tong, Stephen Y. Zhang, Lazar Atanackovic
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
arXiv Machine Learning
Jul 14

AeroMELD: A Linear Embedding of Aerosol Populations for Diagnostics and Latent Dynamics

arXiv:2607. 11073v1 Announce Type: new Abstract: Accurately representing atmospheric aerosol populations is essential for simulating aerosol-cloud interactions, radiative forcing, and ice nucleation, yet existing reduced schemes impose structural assumptions that limit their ability to capture composition diversity and mixing state.

By Ehsan Saleh, Saba Ghaffari, Wenhan Tang, Jeffrey H. Curtis, Lekha Patel, Peter A. Bosler, Nicole Riemer, Matthew West
arXiv AI
3d ago

AtomWorld-Mem: Memory-Restored World States for Long-Horizon Atomistic Evolution

AtomWorld-Mem is a memory‑restored atomistic world model that reconstructs hidden world states from incomplete crystal snapshots, enabling more accurate long‑horizon atomistic evolution. It uses spatial encoders to capture multi‑scale keyframes and integrates short‑term event memory with long‑term structural memory to predict future states. The restored state guides vacancy‑mediated events in kinetic Monte Carlo simulations, improving progress under fixed event budgets while preserving fidelity across energetic, structural, and transport observables, and it transfers zero‑shot across unseen alloy‑temperature scenarios.

By Tian Luo, Ruge Zhang, Haozhi Han, Yifrng Chen, Yunquan Zhang, Yunxin Liu, Ting Cao, Kun Li