Related papers: MDM: Molecular Diffusion Model for 3D Molecule Gen…

Diffusion models (DMs) excel in photo-realistic image synthesis, but their adaptation to LiDAR scene generation poses a substantial hurdle. This is primarily because DMs operating in the point space struggle to preserve the curve-like…

Synthesizability remains a critical bottleneck in generative molecular design. While recent advances have addressed synthesizability in 2D graphs, extending these constraints to 3D for geometry-based conditional generation remains largely…

Anomaly detection (AD) plays a pivotal role across diverse domains, including cybersecurity, finance, healthcare, and industrial manufacturing, by identifying unexpected patterns that deviate from established norms in real-world data.…

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…

Structure-based drug design, i.e., finding molecules with high affinities to the target protein pocket, is one of the most critical tasks in drug discovery. Traditional solutions, like virtual screening, require exhaustively searching on a…

Temporal volume images with 3D+t (4D) information are often used in medical imaging to statistically analyze temporal dynamics or capture disease progression. Although deep-learning-based generative models for natural images have been…

Solving 3D medical inverse problems such as image restoration and reconstruction is crucial in modern medical field. However, the curse of dimensionality in 3D medical data leads mainstream volume-wise methods to suffer from high resource…

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees…

Traditional 3D content creation tools empower users to bring their imagination to life by giving them direct control over a scene's geometry, appearance, motion, and camera path. Creating computer-generated videos, however, is a tedious…

3D generative models have shown significant promise in structure-based drug design (SBDD), particularly in discovering ligands tailored to specific target binding sites. Existing algorithms often focus primarily on ligand-target binding,…

In the field of computational molecule generation, an essential task in the discovery of new chemical compounds, fragment-based deep generative models are a leading approach, consistently achieving state-of-the-art results in molecular…

Despite the proliferation of generative models, achieving fast sampling during inference without compromising sample diversity and quality remains challenging. Existing models such as Denoising Diffusion Probabilistic Models (DDPM) deliver…

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Diffusion models have recently become the de-facto approach for generative modeling in the 2D domain. However, extending diffusion models to 3D is challenging due to the difficulties in acquiring 3D ground truth data for training. On the…

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 have emerged as a powerful generative method for synthesizing high-quality and diverse set of images. In this paper, we propose a video generation method based on diffusion models, where the effects of motion are modeled in…

The design of novel molecules with desired properties is a key challenge in drug discovery and materials science. Traditional methods rely on trial-and-error, while recent deep learning approaches have accelerated molecular generation.…

Despite the remarkable generative capabilities of diffusion models, their integration into safety-critical or scientifically rigorous applications remains hindered by the need to ensure compliance with stringent physical, structural, and…

Prediction of a molecule's 3D conformer ensemble from the molecular graph holds a key role in areas of cheminformatics and drug discovery. Existing generative models have several drawbacks including lack of modeling important molecular…

Diffusion models have emerged as a powerful new family of deep generative models with record-breaking performance in many applications, including image synthesis, video generation, and molecule design. In this survey, we provide an overview…