arXiv:2510. 25306v3 Announce Type: replace Abstract: Partial physical knowledge--governing structures known, constitutive relations or their combinations not--pervades spatiotemporal systems.
By Xizhe Wang, Xiaobin Song, Hongbo Zhao, Qingshan Jia, Qianchuan Zhao, Hao Sun, Benben Jiang
arXiv:2506. 20771v2 Announce Type: replace Abstract: We propose a latent score-based generative AI framework for learning stochastic, non-local closure models and constitutive laws in nonlinear dynamical systems of computational mechanics.
By Xinghao Dong, Huchen Yang, Jin-Long Wu
arXiv:2608. 11435v1 Announce Type: new Abstract: Forward and inverse modeling of parametric dynamical systems requires surrogate models that are not only accurate for state prediction, but also informative for parameter calibration.
By Qiyao Zhou, Xujia Zhu, Pierre Joli, Yu Cong, Sibo Cheng
arXiv:2606. 08563v1 Announce Type: new Abstract: While global data-driven models excel at predicting continuous atmospheric variables, three-dimensional hydrometeor forecasting remains challenging due to the zero-inflated, long-tailed distributions of these variables.
By Dandan Chen, Yaqiang Wang
arXiv:2606. 09065v1 Announce Type: cross Abstract: In science and engineering, Lagrangian simulation methods such as Smooth Particle Hydrodynamics (SPH) or Material Point Method (MPM) are often employed to study the behavior of dynamic systems.
By Tu Do, Shannon Ryan, Santu Rana
arXiv:2607. 10285v1 Announce Type: new Abstract: We study how unsupervised autoencoders trained on microscopic spin configurations from the Ising model learn macroscopic, theory-relevant variables underlying the data-generating process.
By Max Weinmann, Miriam Klopotek
arXiv:2410. 10137v5 Announce Type: replace Abstract: We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds.
By Andrew Gracyk
arXiv:2506. 21278v3 Announce Type: replace-cross Abstract: We propose spherical Cauchy (spCauchy) latent variables for variational autoencoders on hyperspherical latent spaces.
By Lukas Sablica, Kurt Hornik
arXiv:2606. 14999v1 Announce Type: new Abstract: Scientific user facilities generate X-ray scattering data faster than traditional workflows can process them.
By Monika Choudhary, Xiaoya Chong, Runbo Jiang, Wiebke Koepp, Petrus H. Zwart, Damon English, Gregory M. Su, Eric Schaible, Chenhui Zhu, Mostafa Nassr, Noah P. Wamble, Kelvin Kam-Yun Li, Jonathan M. Chan, Jose Carlos Diaz, Cameron McKay, Lynn Katz, Benny Freeman, Guillaume Freychet, Yevgen Matviychuk, Eliot Gann, Daniel B. Allan, Benedikt Sochor, Frank Schluenzen, Stephan V. Roth, Ethan Crumlin, Dylan McReynolds, Tanny Chavez, Alexander Hexemer
arXiv:2607. 21941v1 Announce Type: new Abstract: Chemists and materials scientists increasingly use machine learning models, such as graph neural networks (GNNs), to predict properties of molecules and the outcomes of their reactions.
By Shiyi Liu, Jiaqing Chen, Nicholas Hadler, Rostyslav Hnatyshyn, Michael W. Mahoney, Talita Perciano, John F. Hartwig, Gunther H. Weber, Ross Maciejewski
arXiv:2606. 04100v1 Announce Type: new Abstract: Machine learning interatomic potentials (MLIPs) enable efficient and accurate atomistic simulations but depend critically on the quality and diversity of the training data.
By Joanna Zou, Fraser Birks, Dallas Foster, Youssef Marzouk
arXiv:2606. 14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings.
By Dominik Geng, Florian Graf, Martin Uray, Roland Kwitt