Related papers: LMDM:Latent Molecular Diffusion Model For 3D Molec…

Masked diffusion models (MDM) are powerful generative models for discrete data that generate samples by progressively unmasking tokens in a sequence. Each token can take one of two states: masked or unmasked. We observe that token sequences…

We identify and analyze a surprising phenomenon of Latent Diffusion Models (LDMs) where the final steps of the diffusion can degrade sample quality. In contrast to conventional arguments that justify early stopping for numerical stability,…

The integration of molecular and natural language representations has emerged as a focal point in molecular science, with recent advancements in Language Models (LMs) demonstrating significant potential for comprehensive modeling of both…

Inspired by recent findings that generative diffusion models learn semantically meaningful representations, we use them to discover the intrinsic hierarchical structure in biomedical 3D images using unsupervised segmentation. We show that…

Three-dimensional molecular structure generation is typically performed at the level of individual atoms, yet molecular graph generation techniques often consider fragments as their structural units. Building on the advances in frame-based…

Diffusion models have achieved remarkable success in image and video generation. In this work, we demonstrate that diffusion models can also \textit{generate high-performing neural network parameters}. Our approach is simple, utilizing an…

The advent of neural-network-based deep learning techniques has led to the emergence of increasingly sophisticated numerical interatomic potentials, including graph neural networks and large language-motivated foundation models.…

Latent dynamical models are commonly used to learn the distribution of a latent dynamical process that represents a sequence of noisy data samples. However, producing samples from such models with high fidelity is challenging due to the…

Image generation models trained on large datasets can synthesize high-quality images but often produce spatially inconsistent and distorted images due to limited information about the underlying structures and spatial layouts. In this work,…

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the…

We present a latent diffusion model for fast feed-forward 3D scene generation. Given one or more images, our model Bolt3D directly samples a 3D scene representation in less than seven seconds on a single GPU. We achieve this by leveraging…

Unlike vision and language data which usually has a unique format, molecules can naturally be characterized using different chemical formulations. One can view a molecule as a 2D graph or define it as a collection of atoms located in a 3D…

Graph diffusion models achieve state-of-the-art performance in graph generation but suffer from quadratic complexity in the number of nodes -- and much of their capacity is wasted modeling the absence of edges in sparse graphs. Inspired by…

High-resolution image synthesis remains a core challenge in generative modeling, particularly in balancing computational efficiency with the preservation of fine-grained visual detail. We present Latent Wavelet Diffusion (LWD), a…

Generative models aim to learn the distribution of observed data by generating new instances. With the advent of neural networks, deep generative models, including variational autoencoders (VAEs), generative adversarial networks (GANs), and…

A complete representation of 3D objects requires characterizing the space of deformations in an interpretable manner, from articulations of a single instance to changes in shape across categories. In this work, we improve on a prior…

Modern learning-based approaches to 3D-aware image synthesis achieve high photorealism and 3D-consistent viewpoint changes for the generated images. Existing approaches represent instances in a shared canonical space. However, for…

Recent 3D human generative models have achieved remarkable progress by learning 3D-aware GANs from 2D images. However, existing 3D human generative methods model humans in a compact 1D latent space, ignoring the articulated structure and…

Recently, molecule generation using deep learning has been actively investigated in drug discovery. In this field, Transformer and VAE are widely used as powerful models, but they are rarely used in combination due to structural and…

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…