Related papers: Rethinking Diffusion Models with Symmetries throug…

Being the most cutting-edge generative methods, diffusion methods have shown great advances in wide generation tasks. Among them, graph generation attracts significant research attention for its broad application in real life. In our…

Diffusion models have emerged as effective tools for generating diverse and high-quality content. However, their capability in high-resolution image generation, particularly for panoramic images, still faces challenges such as visible seams…

Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual…

Diffusion-based generative models are extremely effective in generating high-quality images, with generated samples often surpassing the quality of those produced by other models under several metrics. One distinguishing feature of these…

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning…

The capability of generalization is a cornerstone for the success of modern learning systems. For non-Euclidean data, e.g., graphs, that particularly involves topological structures, one important aspect neglected by prior studies is how…

In numerous applications of geometric deep learning, the studied systems exhibit spatial symmetries and it is desirable to enforce these. For the symmetry of global rotations and reflections, this means that the model should be equivariant…

Recent success of large text-to-image models has empirically underscored the exceptional performance of diffusion models in generative tasks. To facilitate their efficient deployment on resource-constrained edge devices, model quantization…

Diffusion-based generative models represent a forefront direction in generative AI research today. Recent studies in physics have suggested that the renormalization group (RG) can be conceptualized as a diffusion process. This insight…

Despite recent advancement in 3D molecule conformation generation driven by diffusion models, its high computational cost in iterative diffusion/denoising process limits its application. In this paper, an equivariant consistency model…

Recent 3D molecular generation methods primarily use asynchronous auto-regressive or synchronous diffusion models. While auto-regressive models build molecules sequentially, they're limited by a short horizon and a discrepancy between…

Diffusion models have emerged as the new state-of-the-art generative model with high quality samples, with intriguing properties such as mode coverage and high flexibility. They have also been shown to be effective inverse problem solvers,…

Permutation invariance is fundamental in molecular point-cloud generation, yet most diffusion models enforce it indirectly via permutation-equivariant networks on an ordered space. We propose to model diffusion directly on the quotient…

Diffusion models have emerged as powerful tools for molecular generation, particularly in the context of 3D molecular structures. Inspired by non-equilibrium statistical physics, these models can generate 3D molecular structures with…

Diffusion models are central to generative modeling and have been adapted to graphs by diffusing adjacency matrix representations. The challenge of having up to $n!$ such representations for graphs with $n$ nodes is only partially mitigated…

With the capacity of modeling long-range dependencies in sequential data, transformers have shown remarkable performances in a variety of generative tasks such as image, audio, and text generation. Yet, taming them in generating less…

This paper proposes a fundamentally new paradigm for image generation through set-based tokenization and distribution modeling. Unlike conventional methods that serialize images into fixed-position latent codes with a uniform compression…

Designing new molecules is essential for drug discovery and material science. Recently, deep generative models that aim to model molecule distribution have made promising progress in narrowing down the chemical research space and generating…

We introduce a new framework for molecular graph generation with 3D molecular generative models. Our Synthetic Coordinate Embedding (SyCo) framework maps molecular graphs to Euclidean point clouds via synthetic conformer coordinates and…

Strong generative models can accurately learn channel distributions. This could save recurring costs for physical measurements of the channel. Moreover, the resulting differentiable channel model supports training neural encoders by…