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Recent advancements in 3D generation are predominantly propelled by improvements in 3D-aware image diffusion models. These models are pretrained on Internet-scale image data and fine-tuned on massive 3D data, offering the capability of…
Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…
Structure-based drug design (SBDD) aims to generate ligands that bind strongly and specifically to target protein pockets. Recent diffusion models have advanced SBDD by capturing the distributions of atomic positions and types, yet they…
We present DPoser-X, a diffusion-based prior model for 3D whole-body human poses. Building a versatile and robust full-body human pose prior remains challenging due to the inherent complexity of articulated human poses and the scarcity of…
It has been recognized that the data generated by the denoising diffusion probabilistic model (DDPM) improves adversarial training. After two years of rapid development in diffusion models, a question naturally arises: can better diffusion…
Diffusion models have achieved significant success in both natural image and medical image domains, encompassing a wide range of applications. Previous investigations in medical images have often been constrained to specific anatomical…
Existing diffusion models have made significant progress in generating realistic images. However, their direct adaptation to remote sensing imagery often disregards intrinsic physical laws. This oversight frequently leads to spectral…
Recent advancements in deep learning for predicting 3D protein structures have shown promise, particularly when leveraging inputs like protein sequences and Cryo-Electron microscopy (Cryo-EM) images. However, these techniques often fall…
Medical image segmentation models struggle with rare abnormalities due to scarce annotated pathological data. We propose DiffAug a novel framework that combines textguided diffusion-based generation with automatic segmentation validation to…
The computational design of antibodies with high specificity and affinity is a cornerstone of modern therapeutic development. While deep generative models have demonstrated potential, they often struggle to balance high-fidelity geometric…
Structure-based drug design (SBDD) leverages the 3D structure of biomolecular targets to guide the creation of new therapeutic agents. Recent advances in generative models, including diffusion models and geometric deep learning, have…
Human body restoration plays a vital role in various applications related to the human body. Despite recent advances in general image restoration using generative models, their performance in human body restoration remains mediocre, often…
Diffusion-based image generators can now produce high-quality and diverse samples, but their success has yet to fully translate to 3D generation: existing diffusion methods can either generate low-resolution but 3D consistent outputs, or…
Denoising Diffusion Probabilistic Models (DDPMs) have significantly advanced generative AI, achieving impressive results in high-quality image and data generation. However, enhancing fidelity without compromising semantic content remains a…
We present PepEDiff, a novel peptide binder generator that designs binding sequences given a target receptor protein sequence and its pocket residues. Peptide binder generation is critical in therapeutic and biochemical applications, yet…
Despite the proliferation of generative models, achieving fast sampling during inference without compromising sample diversity and quality remains challenging. Existing models such as Denoising Diffusion Probabilistic Models (DDPM) deliver…
Synthesizing high-quality tabular data is an important topic in many data science tasks, ranging from dataset augmentation to privacy protection. However, developing expressive generative models for tabular data is challenging due to its…
Predicting molecular conformations from molecular graphs is a fundamental problem in cheminformatics and drug discovery. Recently, significant progress has been achieved with machine learning approaches, especially with deep generative…
Recent advances in diffusion models have shown remarkable potential for antibody design, yet existing approaches apply uniform generation strategies that cannot adapt to each antigen's unique requirements. Inspired by B cell affinity…
We introduce Mediffusion -- a new method for semi-supervised learning with explainable classification based on a joint diffusion model. The medical imaging domain faces unique challenges due to scarce data labelling -- insufficient for…