Stiefel Flow Matching for Moment-Constrained Structure Elucidation

A Cheng, A Lo, KLK Lee, S Miret… - arxiv preprint arxiv …, 2024 - arxiv.org
Molecular structure elucidation is a fundamental step in understanding chemical
phenomena, with applications in identifying molecules in natural products, lab syntheses …

LEAPS: A discrete neural sampler via locally equivariant networks

P Holderrieth, MS Albergo, T Jaakkola - arxiv preprint arxiv:2502.10843, 2025 - arxiv.org
We propose LEAPS, an algorithm to sample from discrete distributions known up to
normalization by learning a rate matrix of a continuous-time Markov chain (CTMC). LEAPS …

Discrete Markov Probabilistic Models

LTN Pham, D Shariatian, A Ocello, G Conforti… - arxiv preprint arxiv …, 2025 - arxiv.org
This paper introduces the Discrete Markov Probabilistic Model (DMPM), a novel algorithm
for discrete data generation. The algorithm operates in the space of bits $\{0, 1\}^ d $, where …