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

Recovering a 3D human mesh from a single RGB image is a challenging task due to depth ambiguity and self-occlusion, resulting in a high degree of uncertainty. Meanwhile, diffusion models have recently seen much success in generating…

Existing autoregressive (AR) methods for generating artist-designed meshes struggle to balance global structural consistency with high-fidelity local details, and are susceptible to error accumulation. To address this, we propose…

Digital Terrain Models (DTMs) represent the bare-earth elevation and are important in numerous geospatial applications. Such data models cannot be directly measured by sensors and are typically generated from Digital Surface Models (DSMs)…

Graph generation is a fundamental problem in graph learning with broad applications across Web-scale systems, knowledge graphs, and scientific domains such as drug and material discovery. Recent approaches leverage diffusion models for…

Denoising diffusion models are a powerful type of generative models used to capture complex distributions of real-world signals. However, their applicability is limited to scenarios where training samples are readily available, which is not…

Source localization is the inverse problem of graph information dissemination and has broad practical applications. However, the inherent intricacy and uncertainty in information dissemination pose significant challenges, and the ill-posed…

Diffusion models represent a class of generative models that produce data by denoising a sample corrupted by white noise. Despite the success of diffusion models in computer vision, audio synthesis, and point cloud generation, so far they…

Morphogenesis is central to biology but remains largely unexplored in chemistry. Reaction-diffusion (RD) mechanisms are, however, essential to understand how shape emerges in the living world. While numerical methods confirm the incredible…

The sharing of microdata, such as fund holdings and derivative instruments, by regulatory institutions presents a unique challenge due to strict data confidentiality and privacy regulations. These challenges often hinder the ability of both…

For the past few years, deep generative models have increasingly been used in biological research for a variety of tasks. Recently, they have proven to be valuable for uncovering subtle cell phenotypic differences that are not directly…

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.…

Predicting drug-target affinity is fundamental to virtual screening and lead optimization. However, existing deep models often suffer from representation collapse in stringent cold-start regimes, where the scarcity of labels and domain…

Creating graphic layouts is a fundamental step in graphic designs. In this work, we present a novel generative model named LayoutDiffusion for automatic layout generation. As layout is typically represented as a sequence of discrete tokens,…

Video generation has recently emerged as a central task in the field of generative AI. However, the substantial computational cost inherent in video synthesis makes model distillation a critical technique for efficient deployment. Despite…

Generative models, particularly diffusion models, have made significant success in data synthesis across various modalities, including images, videos, and 3D assets. However, current diffusion models are computationally intensive, often…

Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…

The exploration of transition state (TS) geometries is crucial for elucidating chemical reaction mechanisms and modeling their kinetics. Recently, machine learning (ML) models have shown remarkable performance for prediction of TS…

Recently, template-based (TB) and template-free (TF) molecule graph learning methods have shown promising results to retrosynthesis. TB methods are more accurate using pre-encoded reaction templates, and TF methods are more scalable by…

Predicting the binding structure of a small molecule ligand to a protein -- a task known as molecular docking -- is critical to drug design. Recent deep learning methods that treat docking as a regression problem have decreased runtime…

Recent advancements in 3D content generation from text or a single image struggle with limited high-quality 3D datasets and inconsistency from 2D multi-view generation. We introduce DiffSplat, a novel 3D generative framework that natively…