We introduce a data-driven probabilistic framework for learning systems based on Gibbs measures on hierarchical structures. Unlike standard empirical risk minimization, where a dataset is used to identify a single optimal parameter, our approach transforms the empirical loss function into an interaction potential defining an energy-based model.
arXiv:2606. 30064v1 Announce Type: new Abstract: We introduce a data-driven probabilistic framework for learning systems based on Gibbs measures on hierarchical structures.
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.
arXiv:2606. 02232v1 Announce Type: new Abstract: Learning a Markov transition model is not merely conditional density estimation: the learned object must be a valid transition kernel before it is iterated in downstream dynamics.
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.
arXiv:2512. 22088v3 Announce Type: replace-cross Abstract: The scaling law, a cornerstone of Large Language Model (LLM) development, predicts improvements in model performance with increasing computational resources.
arXiv:2512. 11415v3 Announce Type: replace-cross Abstract: We show that nonequilibrium dynamics can play a constructive role in unsupervised machine learning by inducing the spontaneous emergence of latent-state cycles.
FrOGS is a hybrid discrete neural sampler that couples an autoregressive model with a continuous-time Markov chain, trained under a single shared loss to sample alloy configurations across many chemical conditions. It produces independent, unbiased configurations, estimates the partition function, and yields consistent thermodynamic observables on a common absolute free‑energy scale. The method matches exact results for the 2D Ising model and reproduces reference phase diagrams for AgPd and CuAu, avoiding mode collapse and correctly recovering the stability range of the CuAu$_3$ phase.
arXiv:2511. 06239v2 Announce Type: replace-cross Abstract: Learning-based methods for sampling from the Gibbs distribution in finite-dimensional spaces have progressed quickly, yet theory and algorithmic design for infinite-dimensional function spaces remain limited.
arXiv:2609.15894v1 Announce Type: cross Abstract: Some of the sharpest challenges in sampling from the energy functions of physical systems arise at phase transitions, where the density of states cha...
arXiv:2602. 03670v2 Announce Type: replace-cross Abstract: Equilibrium Propagation (EP) is a physics-inspired learning algorithm that uses stationary states of a dynamical system both for inference and learning.
arXiv:2603. 11249v4 Announce Type: replace Abstract: Accurate prediction of phase equilibria remains a central challenge in chemical engineering.
Energy-Based Models (EBMs) provide an interpretable framework for generative modeling of scientific data, but poor Markov Chain Monte Carlo mixing often limits their reliability. We introduce a training algorithm based on Parallel Trajectory Tempering (PTT), which exploits the continuity of the optimization path to maintain equilibrium sampling throughout learning.