9 citations · 17 across the 8 of their papers we have counts for
5 papers · 1 filter
Space Group Conditional Flow Matching
Omri Puny, Yaron Lipman, Benjamin Kurt Miller
Inorganic crystals are periodic, highly-symmetric arrangements of atoms in three-dimensional space. Their structures are constrained by the symmetry operations of a crystallographi…
Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching
Aaron Havens, Benjamin Kurt Miller, Bing Yan +10
We introduce Adjoint Sampling, a highly scalable and efficient algorithm for learning diffusion processes that sample from unnormalized densities, or energy functions. It is the fi…
All-atom Diffusion Transformers: Unified generative modelling of molecules and materials
Chaitanya K. Joshi, Xiang Fu, Yi-Lun Liao +4
Diffusion models are the standard toolkit for generative modelling of 3D atomic systems. However, for different types of atomic systems -- such as molecules and materials -- the ge…
FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions
Anuroop Sriram, Benjamin Kurt Miller, Ricky T. Q. Chen +1
Material discovery is a critical area of research with the potential to revolutionize various fields, including carbon capture, renewable energy, and electronics. However, the imme…
FlowMM: Generating Materials with Riemannian Flow Matching
Benjamin Kurt Miller, Ricky T. Q. Chen, Anuroop Sriram +1
Crystalline materials are a fundamental component in next-generation technologies, yet modeling their distribution presents unique computational challenges. Of the plausible arrang…