arXiv Machine Learning

Particle Dynamics of Flow Matching and Classifier-Free Guidance from a Stagewise Geometry Perspective

arXiv:2609. 06947v1 Announce Type: new Abstract: Flow matching, together with classifier-free guidance (CFG), is widely used in generative modeling, yet much of the theoretical understanding remains distribution-wise.

arXiv Machine Learning
Sep 4

Generative Nested Sampling of Atomistic Thermodynamic Landscapes

The paper introduces NS‑Flows, a flow‑based nested sampling method that replaces Markov‑chain updates with a conditional normalizing flow trained on live sets. By applying this technique to a Lennard‑Jones particle system, the authors achieve over two orders of magnitude fewer energy evaluations and a roughly one‑third reduction in wall‑clock time compared to traditional nested sampling. The study also shows that the flow’s generation efficiency varies non‑monotonically along the annealing trajectory, providing a diagnostic of the system’s internal mode complexity and identifying liquid‑like ensembles as the most challenging for current flow architectures.

By Alessandro Coretti, Nico Unglert, Sebastian Falkner, Georg K. H. Madsen, Christoph Dellago
Hugging Face Trending Papers
Jun 23

A Time-Reparameterized Cumulative Intensity Extrapolation Sampler for Discrete Flow Matching

Discrete flow matching (DFM) provides a principled framework for generative modeling on discrete state spaces via continuous-time Markov chain dynamics. In practice, sampling for DFM commonly employs discretizations such as $τ$-leaping, yet efficient sampling methods under a limited number of function evaluations (NFE) remain less studied.

arXiv Machine Learning
Aug 17

Friction-Augmented Drifting Models for Resource-Efficient Domain Translation

arXiv:2604. 18194v2 Announce Type: replace Abstract: Single-step generators promise high-fidelity synthesis at a fraction of the inference and training cost of ordinary differential equation (ODE)-based flow models, a central concern when compute is limited.

By Arkadii Kazanskii, Tatiana Petrova, Andrey Ustyuzhanin, Konstantin Bagrianskii, Aleksandr Puzikov, Radu State
arXiv Machine Learning
Aug 5

Information-Geometric Forward Policy Training in GFlowNets

arXiv:2608. 03967v1 Announce Type: cross Abstract: Generative Flow Networks (GFlowNets) have emerged as a flexible framework for amortised inference over discrete and mixed discrete-continuous objects, requiring only an unnormalised target density specified through a reward.

By Yordan Raykov, Rodrigo Veiga