相关论文: RetroDiff: Retrosynthesis as Multi-stage Distribut…

Designing mechanical linkages to achieve target end-effector trajectories presents a fundamental challenge due to the intricate coupling between continuous node placements, discrete topological configurations, and nonlinear kinematic…

Single-step retrosynthesis (SSR) in organic chemistry is increasingly benefiting from deep learning (DL) techniques in computer-aided synthesis design. While template-free DL models are flexible and promising for retrosynthesis prediction,…

Diffusion models have demonstrated their effectiveness across various generative tasks. However, when applied to medical image segmentation, these models encounter several challenges, including significant resource and time requirements.…

Graph generation is a critical yet challenging task, as empirical analyses require a deep understanding of complex, non-Euclidean structures. Diffusion models have recently made significant advances in graph generation, but these models are…

Retrosynthetic planning, which aims to find a reaction pathway to synthesize a target molecule, plays an important role in chemistry and drug discovery. This task is usually modeled as a search problem. Recently, data-driven methods have…

Although the diffusion model has achieved remarkable performance in the field of image generation, its high inference delay hinders its wide application in edge devices with scarce computing resources. Therefore, many training-free sampling…

Retrosynthetic planning is a fundamental problem in chemistry for finding a pathway of reactions to synthesize a target molecule. Recently, search algorithms have shown promising results for solving this problem by using deep neural…

Hyperspectral Image (HSI) classification is an important issue in remote sensing field with extensive applications in earth science. In recent years, a large number of deep learning-based HSI classification methods have been proposed.…

Equipping a deep model the abaility of few-shot learning, i.e., learning quickly from only few examples, is a core challenge for artificial intelligence. Gradient-based meta-learning approaches effectively address the challenge by learning…

Given the audio-visual clip of the speaker, facial reaction generation aims to predict the listener's facial reactions. The challenge lies in capturing the relevance between video and audio while balancing appropriateness, realism, and…

Generating desirable molecular structures in 3D is a fundamental problem for drug discovery. Despite the considerable progress we have achieved, existing methods usually generate molecules in atom resolution and ignore intrinsic local…

Coarse-grained (CG) models play a crucial role in the study of protein structures, protein thermodynamic properties, and protein conformation dynamics. Due to the information loss in the coarse-graining process, backmapping from CG to…

Solving medical imaging data scarcity through semantic image generation has attracted growing attention in recent years. However, existing generative models mainly focus on synthesizing whole-organ or large-tissue structures, showing…

Denoising diffusion models have shown great potential in multiple research areas. Existing diffusion-based generative methods on de novo 3D molecule generation face two major challenges. Since majority heavy atoms in molecules allow…

Recent 3D large reconstruction models typically employ a two-stage process, including first generate multi-view images by a multi-view diffusion model, and then utilize a feed-forward model to reconstruct images to 3D content.However,…

Diffusion models achieve great success in generating diverse and high-fidelity images, yet their widespread application, especially in real-time scenarios, is hampered by their inherently slow generation speed. The slow generation stems…

Effectively modeling the interaction between human hands and objects is challenging due to the complex physical constraints and the requirement for high generation efficiency in applications. Prior approaches often employ computationally…

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…

Diffusion models produce high-quality text-to-image results, but their iterative denoising is computationally expensive.Distribution Matching Distillation (DMD) emerges as a promising path to few-step distillation, but suffers from…

Generating long-term, coherent, and realistic music-conditioned dance sequences remains a challenging task in human motion synthesis. Existing approaches exhibit critical limitations: motion graph methods rely on fixed template libraries,…