arXiv:2603. 11249v4 Announce Type: replace Abstract: Accurate prediction of phase equilibria remains a central challenge in chemical engineering.
Machine-generated by The Flow from the publisher's headline and feed description — not written or checked by a human. The full article lives at arXiv Machine Learning.
arXiv:2606. 01179v1 Announce Type: cross Abstract: Entropy production governs irreversibility and uncertainty in both physical and information-theoretic systems.
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.
The paper presents a differentiable hybrid modelling framework that combines a JAX finite volume population balance solver with learnable neural network components. This approach learns constitutive laws and initial conditions directly from experimental data, improving the fidelity of transport models in chemical engineering. The framework’s differentiability also enables optimisation of experimental settings for desired process outcomes.
arXiv:2608.23874v1 Announce Type: cross Abstract: Predicting thermal stability during handling and storage is essential for the design of safe and reliable energetic materials. However, experimental...
The article reviews modern machine learning techniques for estimating the committor and related kinetic statistics from molecular dynamics simulations. It emphasizes self‑supervised methods that solve the underlying dynamical equations instead of relying on labeled data, and unifies various approaches—generator‑based PDEs, variational principles, Markov state models, dynamical Galerkin approximation, and neural networks—under a common operator framework. The review also discusses practical guidance for handling non‑Markovian effects, sampling strategies, and outlines future research directions such as connections to reinforcement learning and generative modeling.
The review explores how control theory, optimal transport, probabilistic inference, non‑equilibrium thermodynamics, and machine learning are interconnected through the optimization of free‑energy‑like functionals under dynamical or statistical constraints. It presents a conceptual thread linking these five fields and illustrates the ideas with applications in reinforcement learning, variational inference, and generative modeling. The article is written for readers without prior familiarity, beginning with physics principles.