arXiv:2608. 12624v1 Announce Type: new Abstract: Structure-preserving machine learning embeds physical structure directly into model architectures, yet uncertainty quantification (UQ) for such hard-constrained models remains limited because standard UQ methods may violate the encoded admissibility conditions, require architectural modifications, or impose substantial computational costs.
By Zequn He, Celia Reina
arXiv:2606. 16073v1 Announce Type: new Abstract: Sampling from complex, unnormalized probability densities is a fundamental challenge in Bayesian inference and probabilistic modeling.
By Kirill Korolev, Nikita Morozov, Stepan Pavlenko, Esmeralda S. Whitammer, Sergey Samsonov
arXiv:2606. 09949v1 Announce Type: cross Abstract: Data-driven PDE surrogates are trained with data produced by numerical PDE solvers.
By Pierre Cesar (DATAMOVE), Sofya Dymchenko (DATAMOVE), Abhishek Purandare (DATAMOVE), Bruno Raffin (DATAMOVE)
arXiv:2606. 23838v1 Announce Type: new Abstract: When two or more parameters or labels produce similar data, they are degenerate, or hard to distinguish.
By T. Lucas Makinen, Deaglan J. Bartlett, Niall Jeffrey, Benjamin D. Wandelt
arXiv:2606. 11650v1 Announce Type: new Abstract: Recent advances in scientific machine learning provide a means of near-real-time solution to partial differential equations (PDEs), but lack the theoretical underpinnings of conventional simulators that support contemporary verification and validation.
By Handi Zhang, Adrienne M. Propp, Brooks Kinch, Houman Owhadi, Nathaniel Trask
arXiv:2512. 18454v3 Announce Type: replace Abstract: Predictive machine learning models generally excel on in-distribution data, but their performance degrades on out-of-distribution (OOD) inputs.
By David Graber, Victor Armegioiu, Rebecca Buller, Siddhartha Mishra
arXiv:2606. 27029v2 Announce Type: replace Abstract: Hamiltonian Neural Networks (HNNs) integrate physical priors into neural models by learning a system's Hamiltonian, improving generalization and sample efficiency.
By Harsh Choudhary, Vyacheslav Kungurtsev, Chandan Gupta, Melvin Leok, Georgios Korpas
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
arXiv:2606. 05581v1 Announce Type: cross Abstract: Intrinsic methods fill the default toolbox for geometry processing on meshes.
By Arman Maesumi, Tanish Makadia, Aruna Anderson, Oras Phongpanangam, Justin Solomon, Daniel Ritchie
arXiv:2605. 08832v3 Announce Type: replace Abstract: Neural surrogate models for computational fluid dynamics (CFD) are typically trained as forward operators that map explicit problem specifications, such as geometry and boundary conditions, to solution fields.
By Jonas Weidner, Yeray Martin-Ruisanchez, Daniel Rueckert, Benedikt Wiestler, Julian Suk
arXiv:2604. 24662v2 Announce Type: replace-cross Abstract: Identifying the dynamical state variables of a system from high-dimensional observations is a central problem across physical sciences.
By K. Michael Martini, Eslam Abdelaleem, Paarth Gulati, Ilya Nemenman
arXiv:2606. 27029v1 Announce Type: new Abstract: Hamiltonian Neural Networks (HNNs) integrate physical priors into neural models by learning a system's Hamiltonian, improving generalization and sample efficiency.
By Harsh Choudhary, Vyacheslav Kungurtsev, Chandan Gupta, Melvin Leok, Georgios Korpas