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

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…

Text-to-image diffusion models pre-trained on billions of image-text pairs have recently enabled 3D content creation by optimizing a randomly initialized differentiable 3D representation with score distillation. However, the optimization…

State-of-the-art models for 3D molecular generation are based on significant inductive biases, SE(3), permutation equivariance to respect symmetry and graph message-passing networks to capture local chemistry, yet the generated molecules…

Recent advancements in computational chemistry have increasingly focused on synthesizing molecules based on textual instructions. Integrating graph generation with these instructions is complex, leading most current methods to use molecular…

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

This paper introduces a pioneering 3D volumetric encoder designed for text-to-3D generation. To scale up the training data for the diffusion model, a lightweight network is developed to efficiently acquire feature volumes from multi-view…

Generation of graphs is a major challenge for real-world tasks that require understanding the complex nature of their non-Euclidean structures. Although diffusion models have achieved notable success in graph generation recently, they are…

Generative modeling of three-dimensional (3D) molecules is a fundamental yet challenging problem in drug discovery and materials science. Existing approaches typically represent molecules as 3D graphs and co-generate discrete atom types…

Probabilistic denoising diffusion models (DDMs) have set a new standard for 2D image generation. Extending DDMs for 3D content creation is an active field of research. Here, we propose TetraDiffusion, a diffusion model that operates on a…

With the onset of diffusion-based generative models and their ability to generate text-conditioned images, content generation has received a massive invigoration. Recently, these models have been shown to provide useful guidance for the…

Autoregressive language models dominate modern text generation, yet their sequential nature introduces fundamental limitations: decoding is slow, and maintaining global coherence remains challenging. Diffusion models offer a promising…

Recently, 3D generation methods have shown their powerful ability to automate 3D model creation. However, most 3D generation methods only rely on an input image or a text prompt to generate a 3D model, which lacks the control of each…

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…

We present a novel approach for generating minority samples that live on low-density regions of a data manifold. Our framework is built upon diffusion models, leveraging the principle of guided sampling that incorporates an arbitrary…

Text-to-image diffusion models have demonstrated tremendous success in synthesizing visually stunning images given textual instructions. Despite remarkable progress in creating high-fidelity visuals, text-to-image models can still struggle…

Denoising diffusion probabilistic models (DDPMs) have pioneered new state-of-the-art results in disciplines such as computer vision and computational biology for diverse tasks ranging from text-guided image generation to structure-guided…

Shape-based virtual screening is widely employed in ligand-based drug design to search chemical libraries for molecules with similar 3D shapes yet novel 2D chemical structures compared to known ligands. 3D deep generative models have the…

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 remarkable advances in large-scale text-to-image diffusion models have inspired a significant breakthrough in text-to-3D generation, pursuing 3D content creation solely from a given text prompt. However, existing text-to-3D…

Recent advances in generative deep learning have transformed small molecule design, but most methods lack biological systems context, focusing narrowly on specific protein pockets. We introduce a non-differentiable diffusion guidance method…