arXiv Machine Learning

Free Denoising Diffusion Models

arXiv:2510. 22778v3 Announce Type: replace-cross Abstract: We develop a free-probabilistic framework for denoising diffusion, in which the data is a self-adjoint operator and its law a spectral distribution.

arXiv AI
Jun 24

The Geometry Behind Diffusion and Flow Matching: Gradient Flows and Geodesics in Wasserstein Space

arXiv:2606. 24157v1 Announce Type: new Abstract: The space $\mathcal{P}_2(\mathbb{R}^d$) of probability measures with finite second moment carries a natural geometry: the quadratic Wasserstein distance W_2 makes it a complete metric space and, following Otto, a (formal) Riemannian manifold whose geodesics are the optimal-transport interpolations.

By Yian Yao, Weiwei Zhang
arXiv Machine Learning
Aug 20

Foundations of Diffusion Models in General State Spaces: A Self-Contained Introduction

The article "Foundations of Diffusion Models in General State Spaces: A Self-Contained Introduction" presents a unified primer on diffusion models that applies to both continuous Euclidean data and discrete categorical structures. It develops discrete-time forward noising via Markov kernels and learned reverse dynamics, and connects these to continuous-time limits such as stochastic differential equations in ρ^d and continuous-time Markov chains on finite alphabets, deriving the corresponding Fokker–Planck and master equations. The work also shows how different forward corruption choices—Gaussian processes for continuous spaces and structured categorical transition kernels for discrete spaces—affect reverse dynamics and the evidence lower bound used in training, offering a layered exposition for newcomers, practitioners, and experts alike.

By Vincent Pauline, Tobias H\"oppe, Kirill Neklyudov, Alexander Tong, Stefan Bauer, Andrea Dittadi
arXiv Machine Learning
Jul 28

Stochastic Counterdiabatic Driving via Biorthogonal Liouvillian Eigenmodes

arXiv:2607. 24393v1 Announce Type: cross Abstract: Finite-time driving of stochastic systems generates excess dissipation, causing the evolving probability distribution to lag behind the instantaneous equilibrium, and consequently degrading the convergence of nonequilibrium free energy estimators based on the Jarzynski equality.

By Sandeep Suresh Cranganore, Sebastian Lehner, Johannes Brandstetter, Max Welling
Hugging Face Trending Papers
Jul 27

Stochastic Counterdiabatic Driving via Biorthogonal Liouvillian Eigenmodes

Finite-time driving of stochastic systems generates excess dissipation, causing the evolving probability distribution to lag behind the instantaneous equilibrium, and consequently degrading the convergence of nonequilibrium free energy estimators based on the Jarzynski equality. Escorted free energy simulations address the non-adiabatic lag by engineering control fields $\mathbf{u}$ that eliminate the lag, enforcing the trajectory-wise equality $\mathcal{W}_\mathbf{u} = Δ\mathcal{F}$, and yielding zero-variance estimators.

arXiv Machine Learning
Aug 27

Improved Analysis for Hessian-free High-resolution Monte Carlo Sampling

The paper introduces Hessian-free high-resolution (HFHR) dynamics, an extension of underdamped Langevin dynamics that incorporates reversible position diffusion for sampling in machine learning. It provides an explicit quantitative contraction rate under a position Poincaré inequality, weighted Hessian and Laplacian bounds, and a compact Sobolev embedding, even when the potential is non‑convex. For the HFHR Monte Carlo algorithm, a path‑space Girsanov argument yields a non‑asymptotic convergence bound and an explicit iteration complexity in total variation distance, improving on previous HFHR results and demonstrating benefits of a positive diffusion parameter through numerical experiments.

By Wujun Lv, Xiaoyu Wang, Yingli Wang, Lingjiong Zhu