相关论文: Interpretable ODE-style Generative Diffusion Model…

Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from…

Graph is a prevalent discrete data structure, whose generation has wide applications such as drug discovery and circuit design. Diffusion generative models, as an emerging research focus, have been applied to graph generation tasks.…

Diffusion Models (DMs) have achieved great success in image generation and other fields. By fine sampling through the trajectory defined by the SDE/ODE solver based on a well-trained score model, DMs can generate remarkable high-quality…

Diffusion models have greatly improved visual generation but are hindered by slow generation speed due to the computationally intensive nature of solving generative ODEs. Rectified flow, a widely recognized solution, improves generation…

Generating physically plausible human motion is crucial for applications such as character animation and virtual reality. Existing approaches often incorporate a simulator-based motion projection layer to the diffusion process to enforce…

In medical imaging, the diffusion models have shown great potential for synthetic image generation tasks. However, these approaches often lack the interpretable connections between the generated and real images and can create anatomically…

The conformational landscape of proteins is crucial to understanding their functionality in complex biological processes. Traditional physics-based computational methods, such as molecular dynamics (MD) simulations, suffer from rare event…

Scientific measurements are often bottlenecked by suboptimal conditions, whether that be noise, incomplete spatial coverage, or limited resolution, rendering accurate field reconstruction a difficult task. We introduce LatentPDE, a latent…

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…

Diffusion-based models have gained significant popularity for text-to-image generation due to their exceptional image-generation capabilities. A risk with these models is the potential generation of inappropriate content, such as biased or…

Can we train a 3D molecule generator using data from dense regions to generate samples in sparse regions? This challenge can be framed as an out-of-distribution (OOD) generation problem. While prior research on OOD generation predominantly…

Personalized text-to-image models allow users to generate varied styles of images (specified with a sentence) for an object (specified with a set of reference images). While remarkable results have been achieved using diffusion-based…

Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task…

Predictive machine learning models generally excel on in-distribution data, but their performance degrades on out-of-distribution (OOD) inputs. Reliable deployment therefore requires robust OOD detection, yet this is particularly…

This handbook offers a unified perspective on diffusion models, encompassing diffusion probabilistic models, score-based generative models, consistency models, rectified flow, and related methods. By standardizing notations and aligning…

We present a novel method for exemplar-based image translation, called matching interleaved diffusion models (MIDMs). Most existing methods for this task were formulated as GAN-based matching-then-generation framework. However, in this…

This paper introduces an approach to endow generative diffusion processes the ability to satisfy and certify compliance with constraints and physical principles. The proposed method recast the traditional sampling process of generative…

While diffusion models have shown great success in image generation, their noise-inverting generative process does not explicitly consider the structure of images, such as their inherent multi-scale nature. Inspired by diffusion models and…

Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and,…

Recent years have seen remarkable progress in both multimodal understanding models and image generation models. Despite their respective successes, these two domains have evolved independently, leading to distinct architectural paradigms:…