6 papers · 1 filter
Uncertainty Estimation for Molecular Diffusion Models
Paul Seij, Christian A. Naesseth, Stephan Mandt +1
Diffusion models have seen wide adoption for 3D molecular generation, yet they offer no principled signal of when a generated molecule is likely to be of low quality. We propose a…
Skipping the Zeros in Diffusion Models for Sparse Data Generation
Phil Sidney Ostheimer, Mayank Nagda, Andriy Balinskyy +6
Diffusion models (DMs) excel on dense continuous data, but are not designed for sparse continuous data. They do not model exact zeros that represent the deliberate absence of a sig…
Hierarchical Variational Policies for Reward-Guided Diffusion
Kushagra Pandey, Farrin Marouf Sofian, Jan Niklas Groeneveld +2
Adapting pretrained diffusion models to downstream objectives such as inverse problems often requires expensive test-time guidance or optimization. We propose a principled framewor…
Control-Augmented Autoregressive Diffusion for Data Assimilation
Prakhar Srivastava, Farrin Marouf Sofian, Francesco Immorlano +2
Despite advances in test-time scaling and diffusion finetuning, guidance for Auto-Regressive Diffusion Models (ARDMs) remains underexplored. We introduce an amortized framework tha…
Variational Control for Guidance in Diffusion Models
Kushagra Pandey, Farrin Marouf Sofian, Felix Draxler +2
Diffusion models exhibit excellent sample quality, but existing guidance methods often require additional model training or are limited to specific tasks. We revisit guidance in di…
Heavy-Tailed Diffusion Models
Kushagra Pandey, Jaideep Pathak, Yilun Xu +4
Diffusion models achieve state-of-the-art generation quality across many applications, but their ability to capture rare or extreme events in heavy-tailed distributions remains unc…