arXiv:2603. 22050v2 Announce Type: replace-cross Abstract: Supervised machine learning describes the practice of fitting a parameterized model to labeled input-output data.
By Atticus Rex, Elizabeth Qian, David Peterson
arXiv:2607. 00095v1 Announce Type: cross Abstract: Generative models have emerged as scalable surrogates for physical simulation, yet they offer no guarantee that their outputs respect the conservation laws, boundary conditions, and nonlinear invariants that govern the underlying physics.
By Alaina Kolli, Theodoros Xenakis, Utkarsh Utkarsh, Pengfei Cai, Rafael Gomez-Bombarelli, Alan Edelman, Christopher Vincent Rackauckas
arXiv:2608. 09071v1 Announce Type: cross Abstract: Forward uncertainty propagation in complex physical systems can induce structured covariance across field-valued outputs.
By Yupei Nie, Lei Wang, Jiasen Liu
arXiv:2609. 21085v1 Announce Type: cross Abstract: Gaussian processes (GPs) provide principled probabilistic predictions while encoding prior knowledge, including equivariances.
By Tim Steinert, David Ginsbourger
arXiv:2603. 00393v2 Announce Type: replace-cross Abstract: Inverse problems constrained by partial differential equations are often ill-conditioned due to noisy, incomplete data or inherent non-uniqueness.
By Ali Siahkoohi, Kamal Aghazade, Ali Gholami
arXiv:2603. 16481v3 Announce Type: replace Abstract: Non-conservative uncertainty bounds are essential for making reliable predictions about latent functions from noisy data, and thus, a key enabler for safe learning-based control.
By Amon Lahr, Anna Scampicchio, Johannes K\"ohler, Melanie N. Zeilinger
The paper presents a method that combines flow‑matching models with energy‑based modeling to explicitly construct scalar energy functions for physical fields. These energies are derived from a matching regression objective on a linear Gaussian interpolation, avoiding variational approximations or extra MCMC steps, and can be used for energy‑corrected data generation, out‑of‑distribution detection, and posterior sampling in inverse problems. The approach enables general MCMC samplers that reduce PDE residuals and spectral distance, and it demonstrates that combining data‑driven and physics‑based energies improves OOD detection accuracy.
By Yixuan Sun, Anirban Samaddar, Sandeep Madireddy
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
The paper presents an exact, efficient solution for the Linear Model of Co‑regionalization (LMC) multitask Gaussian Process by decoupling latent processes under a mild noise‑model assumption. It introduces a full parametrization of the resulting projected LMC, enabling linear‑time optimization and simplifying tasks such as training updates and leave‑one‑out cross‑validation. Experiments on synthetic and real data demonstrate that projected LMC is competitive with state‑of‑the‑art multitask GP models while offering greater interpretability and computational ease.
By Olivier Truffinet (CEA Saclay), Karim Ammar (CEA Saclay), Jean-Philippe Argaud (EDF R&D), Bertrand Bouriquet (EDF)
arXiv:2607. 23480v1 Announce Type: new Abstract: Variational autoencoders (VAEs) transform high-dimensional, often noisy data into a compact latent representation, making downstream optimization more tractable.
By Ye Shi
The paper introduces D$^3$Opt, a derivative‑free diffusion‑based framework that separates constraint modeling from objective optimization in chance‑constrained programs. It learns a risk‑conditioned diffusion model once on constraint‑filtered decisions, then uses an annealed, particle‑based Feynman–Kac correction to optimize any post‑specified objective without retraining. The method is proven to preserve feasibility and provides an error bound, and experiments show effective optimization across smooth, non‑smooth, and non‑convex objectives, including objective transfer tasks.
By Ziwen Liu, Yan Liu, Congying Han, Tiande Guo, Yao Yan, Weichen Zhao
arXiv:2512. 08499v3 Announce Type: replace-cross Abstract: Development of reliable and physically interpretable probabilistic frameworks for industrial prognostics remain nascent, and existing literature is often insensitive as inputs move away from the training manifold.
By Waleed Razzaq, Yun-Bo Zhao