34 citations · 134 across the 22 of their papers we have counts for
5 papers · 1 filter
OXtal: An All-Atom Diffusion Model for Organic Crystal Structure Prediction
Emily Jin, Andrei Cristian Nica, Mikhail Galkin +8
Accurately predicting experimentally realizable 3D molecular crystal structures from their 2D chemical graphs is a long-standing open challenge in computational chemistry called cr…
Planner Aware Path Learning in Diffusion Language Models Training
Fred Zhangzhi Peng, Zachary Bezemek, Jarrid Rector-Brooks +5
Diffusion language models have emerged as a powerful alternative to autoregressive models, enabling fast inference through more flexible and parallel generation paths. This flexibi…
Solving Bayesian inverse problems with diffusion priors and off-policy RL
Luca Scimeca, Siddarth Venkatraman, Moksh Jain +14
This paper presents a practical application of Relative Trajectory Balance (RTB), a recently introduced off-policy reinforcement learning (RL) objective that can asymptotically sol…
Path Planning for Masked Diffusion Model Sampling
Fred Zhangzhi Peng, Zachary Bezemek, Sawan Patel +5
Any order generation of discrete data using masked diffusion models (MDMs) offers a compelling alternative to traditional autoregressive models, especially in domains that lack a n…
From discrete-time policies to continuous-time diffusion samplers: Asymptotic equivalences and faster training
Julius Berner, Lorenz Richter, Marcin Sendera +2
We study the problem of training neural stochastic differential equations, or diffusion models, to sample from a Boltzmann distribution without access to target samples. Existing m…