4 papers
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…
E-3DGS: Gaussian Splatting with Exposure and Motion Events
Xiaoting Yin, Hao Shi, Yuhan Bao +4
Achieving 3D reconstruction from images captured under optimal conditions has been extensively studied in the vision and imaging fields. However, in real-world scenarios, challenge…
Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
Yi-Lun Liao, Tess Smidt, Muhammed Shuaibi +1
Understanding the interactions of atoms such as forces in 3D atomistic systems is fundamental to many applications like molecular dynamics and catalyst design. However, simulating…
General Intelligent Imaging and Uncertainty Quantification by Deterministic Diffusion Model
Weiru Fan, Xiaobin Tang, Yiyi Liao +1
Computational imaging is crucial in many disciplines from autonomous driving to life sciences. However, traditional model-driven and iterative methods consume large computational p…