相关论文: Text-guided Diffusion Model for 3D Molecule Genera…

Given a 3D mesh, we aim to synthesize 3D textures that correspond to arbitrary textual descriptions. Current methods for generating and assembling textures from sampled views often result in prominent seams or excessive smoothing. To tackle…

Language-guided image generation has achieved great success nowadays by using diffusion models. However, texts can be less detailed to describe highly-specific subjects such as a particular dog or a certain car, which makes pure…

Text-to-image diffusion models produce impressive results but are frustrating tools for artists who desire fine-grained control. For example, a common use case is to create images of a specific instance in novel contexts, i.e.,…

Conditional diffusion models have exhibited superior performance in high-fidelity text-guided visual generation and editing. Nevertheless, prevailing text-guided visual diffusion models primarily focus on incorporating text-visual…

Large-scale generative models are capable of producing high-quality images from detailed text descriptions. However, many aspects of an image are difficult or impossible to convey through text. We introduce self-guidance, a method that…

Mass spectrometry plays a fundamental role in elucidating the structures of unknown molecules and subsequent scientific discoveries. One formulation of the structure elucidation task is the conditional de novo generation of molecular…

Diffusion-based models, widely used in text-to-image generation, have proven effective in 2D representation learning. Recently, this framework has been extended to 3D self-supervised learning by constructing a conditional point generator…

Diffusion models have demonstrated significant potential in achieving state-of-the-art performance across various text generation tasks. In this systematic study, we investigate their application to the table-to-text problem by adapting the…

Diffusion models, such as Stable Diffusion, have shown incredible performance on text-to-image generation. Since text-to-image generation often requires models to generate visual concepts with fine-grained details and attributes specified…

Structure-based drug design aims at generating high affinity ligands with prior knowledge of 3D target structures. Existing methods either use conditional generative model to learn the distribution of 3D ligands given target binding sites,…

We present DreamBooth3D, an approach to personalize text-to-3D generative models from as few as 3-6 casually captured images of a subject. Our approach combines recent advances in personalizing text-to-image models (DreamBooth) with…

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

We introduce a new representation for 3D molecules based on their continuous atomic density fields. Using this representation, we propose a new model based on walk-jump sampling for unconditional 3D molecule generation in the continuous…

n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…

Diffusion models have emerged as a leading framework in generative modeling, poised to transform the traditionally slow and costly process of drug discovery. This review provides a systematic comparison of their application in designing two…

A generative model capable of sampling realistic molecules with desired properties could accelerate chemical discovery across a wide range of applications. Toward this goal, significant effort has focused on developing models that jointly…

By formulating data samples' formation as a Markov denoising process, diffusion models achieve state-of-the-art performances in a collection of tasks. Recently, many variants of diffusion models have been proposed to enable controlled…

The performance of pre-trained masked diffusion models is often constrained by their sampling procedure, which makes decisions irreversible and struggles in low-step generation regimes. We introduce a novel sampling algorithm that works…

Structure-based drug design involves finding ligand molecules that exhibit structural and chemical complementarity to protein pockets. Deep generative methods have shown promise in proposing novel molecules from scratch (de-novo design),…

Recent advances in diffusion-based generative models have shown incredible promise for zero shot image-to-image translation and editing. Most of these approaches work by combining or replacing network-specific features used in the…