相关论文: Equivariant Asynchronous Diffusion: An Adaptive De…

Diffusion-based generative models have reformed generative AI, and also enabled new capabilities in the science domain, e.g., fast generation of 3D structures of molecules. In such tasks, there is often a symmetry in the system, identifying…

This work introduces MiDi, a novel diffusion model for jointly generating molecular graphs and their corresponding 3D arrangement of atoms. Unlike existing methods that rely on predefined rules to determine molecular bonds based on the 3D…

Methods for jointly generating molecular graphs along with their 3D conformations have gained prominence recently due to their potential impact on structure-based drug design. Current approaches, however, often suffer from very slow…

We present Acc3D to tackle the challenge of accelerating the diffusion process to generate 3D models from single images. To derive high-quality reconstructions through few-step inferences, we emphasize the critical issue of regularizing the…

Diffusion models have shown the great potential in the point cloud registration (PCR) task, especially for enhancing the robustness to challenging cases. However, existing diffusion-based PCR methods primarily focus on instance-level…

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 generative processes are usually highly specific to the target…

The task of video generation requires synthesizing visually realistic and temporally coherent video frames. Existing methods primarily use asynchronous auto-regressive models or synchronous diffusion models to address this challenge.…

Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…

This paper presents a novel approach for denoising Electron Backscatter Diffraction (EBSD) patterns using diffusion models. We propose a two-stage training process with a UNet-based architecture, incorporating an auxiliary regression head…

Optimizing conflicting molecular properties while strictly adhering to complex 3D structural constraints constitutes a challenging Constrained Multi-Objective Optimization Problem (CMOP). Traditional Evolutionary Algorithms (EAs) destroy…

Diffusion models have emerged as powerful tools for molecular generation, particularly in the context of 3D molecular structures. Inspired by non-equilibrium statistical physics, these models can generate 3D molecular structures with…

We propose SymDiff, a method for constructing equivariant diffusion models using the framework of stochastic symmetrisation. SymDiff resembles a learned data augmentation that is deployed at sampling time, and is lightweight,…

Designing new molecules is essential for drug discovery and material science. Recently, deep generative models that aim to model molecule distribution have made promising progress in narrowing down the chemical research space and generating…

In this work, we propose a novel framework to enable diffusion models to adapt their generation quality based on real-time network bandwidth constraints. Traditional diffusion models produce high-fidelity images by performing a fixed number…

Diffusion models have achieved great success in image generation tasks. However, the lengthy denoising process and complex neural networks hinder their low-latency applications in real-world scenarios. Quantization can effectively reduce…

Diffusion models have garnered significant interest from the community for their great generative ability across various applications. However, their typical multi-step sequential-denoising nature gives rise to high cumulative latency,…

The generation of 3D molecules requires simultaneously deciding the categorical features~(atom types) and continuous features~(atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in…

We introduce Efficient Motion Diffusion Model (EMDM) for fast and high-quality human motion generation. Current state-of-the-art generative diffusion models have produced impressive results but struggle to achieve fast generation without…

Diffusion models have established themselves as the de facto primary paradigm in visual generative modeling, revolutionizing the field through remarkable success across various diverse applications ranging from high-quality image synthesis…

Diffusion Models have shown remarkable proficiency in image and video synthesis. As model size and latency increase limit user experience, hybrid edge-cloud collaborative framework was recently proposed to realize fast inference and…