Related papers: Equivariant Diffusion for Molecule Generation in 3…

Diffusion models have emerged as the best approach for generative modeling of 2D images. Part of their success is due to the possibility of training them on millions if not billions of images with a stable learning objective. However,…

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…

Representing and reasoning about 3D structures of macromolecules is emerging as a distinct challenge in machine learning. Here, we extend recent work on geometric vector perceptrons and apply equivariant graph neural networks to a wide…

In recent years, AI-assisted drug design methods have been proposed to generate molecules given the pockets' structures of target proteins. Most of them are atom-level-based methods, which consider atoms as basic components and generate…

Diffusion-based generative models have recently emerged as powerful solutions for high-quality synthesis in multiple domains. Leveraging the bidirectional Markov chains, diffusion probabilistic models generate samples by inferring the…

It is a known problem that deep-learning-based end-to-end (E2E) channel coding systems depend on a known and differentiable channel model, due to the learning process and based on the gradient-descent optimization methods. This places the…

Generative models have shown strong generation ability while efficient likelihood estimation is less explored. Energy-based models~(EBMs) define a flexible energy function to parameterize unnormalized densities efficiently but are notorious…

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…

Equivariance of neural networks to transformations helps to improve their performance and reduce generalization error in computer vision tasks, as they apply to datasets presenting symmetries (e.g. scalings, rotations, translations). The…

Transformer-based Diffusion Probabilistic Models (DPMs) have shown more potential than CNN-based DPMs, yet their extensive computational requirements hinder widespread practical applications. To reduce the computation budget of…

Sampling from Boltzmann distributions, particularly those tied to high dimensional and complex energy functions, poses a significant challenge in many fields. In this work, we present the Energy-Based Diffusion Generator (EDG), a novel…

Generative models for quantum data pose significant challenges but hold immense potential in fields such as chemoinformatics and quantum physics. Quantum denoising diffusion probabilistic models (QuDDPMs) enable efficient learning of…

Controllable generation of 3D assets is important for many practical applications like content creation in movies, games and engineering, as well as in AR/VR. Recently, diffusion models have shown remarkable results in generation quality of…

We study modeling and inference with the Elliptical Gamma Distribution (EGD). We consider maximum likelihood (ML) estimation for EGD scatter matrices, a task for which we develop new fixed-point algorithms. Our algorithms are efficient and…

We present a probabilistic model for point cloud generation, which is fundamental for various 3D vision tasks such as shape completion, upsampling, synthesis and data augmentation. Inspired by the diffusion process in non-equilibrium…

Diffusion models have achieved great success in image generation tasks. However, the lengthy denoising process and complex neural networks hinder their low-latency applications in real-world scenarios. Quantization can effectively reduce…

Denoising diffusion probabilistic models (DDPM) are a class of generative models which have recently been shown to produce excellent samples. We show that with a few simple modifications, DDPMs can also achieve competitive log-likelihoods…

Out-of-Distribution(OOD) detection, a fundamental machine learning task aimed at identifying abnormal samples, traditionally requires model retraining for different inlier distributions. While recent research demonstrates the applicability…

As one of the most popular and sought-after generative models in the recent years, diffusion models have sparked the interests of many researchers and steadily shown excellent advantage in various generative tasks such as image synthesis,…

We propose a novel approach for probabilistic generative modeling of 3D shapes. Unlike most existing models that learn to deterministically translate a latent vector to a shape, our model, Point-Voxel Diffusion (PVD), is a unified,…