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.
arXiv:2606. 09923v1 Announce Type: cross Abstract: Neural operators such as the Fourier Neural Operator (FNO) have emerged as powerful surrogates for solving partial differential equations (PDEs), achieving speedups of several orders of magnitude over traditional numerical solvers.
arXiv:2606. 01179v1 Announce Type: cross Abstract: Entropy production governs irreversibility and uncertainty in both physical and information-theoretic systems.
arXiv:2604. 07366v2 Announce Type: replace Abstract: Partial differential equations (PDEs) govern nearly every physical process in science and engineering, but solving them at scale remains prohibitively expensive.
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.
arXiv:2606. 08343v1 Announce Type: new Abstract: We introduce GENERIC-FNO, the first neural operator to embed the full GENERIC (metriplectic) structure of nonequilibrium thermodynamics -- reversible, energy-conserving dynamics and irreversible, entropy-producing dynamics coupled through the degeneracy conditions -- directly in function space.
arXiv:2510. 25306v3 Announce Type: replace Abstract: Partial physical knowledge--governing structures known, constitutive relations or their combinations not--pervades spatiotemporal systems.
The paper explores multivariate conformal uncertainty propagation for multitask atomistic simulations, introducing methods such as Bonferroni‑corrected hyperrectangles, hyperellipsoidal sets based on Mahalanobis distance, and custom loss functions within conformal risk control. It applies these techniques to calibrate predictions of energies, forces, and stresses, then propagates the resulting uncertainty sets to downstream quantities like elastic constants and vacancy formation energies. The study emphasizes how incorporating correlation predictions can capture symmetries and error cancellation, and discusses the interaction between computational protocols and conformal guarantees.
arXiv:2609.06546v1 Announce Type: cross Abstract: Although machine learning can be used to predict the evolution of physical systems from data, a formulation that learns only the system state at each...
arXiv:2603. 11249v4 Announce Type: replace Abstract: Accurate prediction of phase equilibria remains a central challenge in chemical engineering.
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.
arXiv:2606. 03355v1 Announce Type: new Abstract: Physics models are inherently imperfect due to misspecified or missing mechanisms, resulting in systematic discrepancies between model predictions and real-world observations.
Physics-Informed Conformal Prediction (PI‑CP) embeds PDE residuals into the nonconformity score of split conformal prediction, yielding distribution‑free prediction intervals with provable coverage that adapt spatially to physics violations. The method demonstrates consistent 89‑91% coverage across six physics scenarios, outperforming MC Dropout and Deep Ensembles, while Fourier Neural Operators (FNO) achieve superior accuracy over CNN and DeepONet. Additionally, the authors prove that FNO’s translation equivariance limits its ability to solve PDEs with Dirichlet boundary conditions, and show that adding coordinate channels can reduce error by up to 63×.