相关论文: Diffusion-based Molecule Generation with Informati…

Text-guided molecule generation is a task where molecules are generated to match specific textual descriptions. Recently, most existing SMILES-based molecule generation methods rely on an autoregressive architecture. In this work, we…

The rapid advancement of Artificial Intelligence (AI) has catalyzed revolutionary changes across various sectors, notably in healthcare. In particular, generative AI-led by diffusion models and transformer architectures-has enabled…

Bridge models in image restoration construct a diffusion process from degraded to clear images. However, existing methods typically require training a bridge model from scratch for each specific type of degradation, resulting in high…

At high-energy collider experiments, generative models can be used for a wide range of tasks, including fast detector simulations, unfolding, searches of physics beyond the Standard Model, and inference tasks. In particular, it has been…

Brain network analysis has emerged as pivotal method for gaining a deeper understanding of brain functions and disease mechanisms. Despite the existence of various network construction approaches, shortcomings persist in the learning of…

This paper presents Text2Structure3D, a graph-based Machine Learning (ML) model that generates equilibrium structures from natural language prompts. Text2Structure3D is designed to support new intuitive ways of design exploration and…

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…

Structure-based drug design has seen significant advancements with the integration of artificial intelligence (AI), particularly in the generation of hit and lead compounds. However, most AI-driven approaches neglect the importance of…

Collective insights from a group of experts have always proven to outperform an individual's best diagnostic for clinical tasks. For the task of medical image segmentation, existing research on AI-based alternatives focuses more on…

Deep generative models have recently achieved superior performance in 3D molecule generation. Most of them first generate atoms and then add chemical bonds based on the generated atoms in a post-processing manner. However, there might be no…

Diffusion models, a family of generative models based on deep learning, have become increasingly prominent in cutting-edge machine learning research. With a distinguished performance in generating samples that resemble the observed data,…

Sub-visible particle analysis using flow imaging microscopy combined with deep learning has proven effective in identifying particle types, enabling the distinction of harmless components such as silicone oil from protein particles.…

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly…

Diffusion MRI (dMRI) is an advanced imaging technique characterizing tissue microstructure and white matter structural connectivity of the human brain. The demand for high-quality dMRI data is growing, driven by the need for better…

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…

Conventional class-guided diffusion models generally succeed in generating images with correct semantic content, but often struggle with texture details. This limitation stems from the usage of class priors, which only provide coarse and…

Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse,…

The design of novel molecules with desired properties is a key challenge in drug discovery and materials science. Traditional methods rely on trial-and-error, while recent deep learning approaches have accelerated molecular generation.…

Diffusion models have become the go-to method for many generative tasks, particularly for image-to-image generation tasks such as super-resolution and inpainting. Current diffusion-based methods do not provide statistical guarantees…

In recent years, 3D vision has become a crucial field within computer vision, powering a wide range of applications such as autonomous driving, robotics, augmented reality, and medical imaging. This field relies on accurate perception,…