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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…

人工智能 · 计算机科学 2026-03-09 Po-Yu Liang , Tibo Duran , Jun Bai

Recently, large-scale diffusion models, e.g., Stable diffusion and DallE2, have shown remarkable results on image synthesis. On the other hand, large-scale cross-modal pre-trained models (e.g., CLIP, ALIGN, and FILIP) are competent for…

计算机视觉与模式识别 · 计算机科学 2023-08-21 Runhui Huang , Jianhua Han , Guansong Lu , Xiaodan Liang , Yihan Zeng , Wei Zhang , Hang Xu

Imputation of missing images via source-to-target modality translation can improve diversity in medical imaging protocols. A pervasive approach for synthesizing target images involves one-shot mapping through generative adversarial networks…

图像与视频处理 · 电气工程与系统科学 2023-04-03 Muzaffer Özbey , Onat Dalmaz , Salman UH Dar , Hasan A Bedel , Şaban Özturk , Alper Güngör , Tolga Çukur

Image generation can solve insufficient labeled data issues in defect detection. Most defect generation methods are only trained on a single product without considering the consistencies among multiple products, leading to poor quality and…

计算机视觉与模式识别 · 计算机科学 2024-08-02 Qingfeng Shi , Jing Wei , Fei Shen , Zhengtao Zhang

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…

生物大分子 · 定量生物学 2024-03-22 Xiangxin Zhou , Xiwei Cheng , Yuwei Yang , Yu Bao , Liang Wang , Quanquan Gu

Recently, the Diffusion Probabilistic Model (DPM)-based methods have achieved substantial success in the field of medical image segmentation. However, most of these methods fail to enable the diffusion model to learn edge features and…

图像与视频处理 · 电气工程与系统科学 2024-06-21 Tingwei Liu , Miao Zhang , Leiye Liu , Jialong Zhong , Shuyao Wang , Yongri Piao , Huchuan Lu

Generating molecules with high binding affinities to target proteins (a.k.a. structure-based drug design) is a fundamental and challenging task in drug discovery. Recently, deep generative models have achieved remarkable success in…

生物大分子 · 定量生物学 2023-05-24 Zaixi Zhang , Qi Liu

As Diffusion Models have shown promising performance, a lot of efforts have been made to improve the controllability of Diffusion Models. However, how to train Diffusion Models to have the disentangled latent spaces and how to naturally…

计算机视觉与模式识别 · 计算机科学 2025-07-02 Wonwoong Cho , Hareesh Ravi , Midhun Harikumar , Vinh Khuc , Krishna Kumar Singh , Jingwan Lu , David I. Inouye , Ajinkya Kale

Incomplete data are common in real-world tabular applications, where numerical, categorical, and discrete attributes coexist within a single dataset. This heterogeneous structure presents significant challenges for existing diffusion-based…

机器学习 · 计算机科学 2025-11-19 Youran Zhou , Mohamed Reda Bouadjenek , Sunil Aryal

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…

生物大分子 · 定量生物学 2024-03-19 Haitao Lin , Yufei Huang , Odin Zhang , Lirong Wu , Siyuan Li , Zhiyuan Chen , Stan Z. Li

Medical image segmentation has been significantly advanced with the rapid development of deep learning (DL) techniques. Existing DL-based segmentation models are typically discriminative; i.e., they aim to learn a mapping from the input…

计算机视觉与模式识别 · 计算机科学 2025-09-01 Tao Chen , Chenhui Wang , Zhihao Chen , Yiming Lei , Hongming Shan

Diffusion models have emerged as a leading framework in generative modeling, poised to transform the traditionally slow and costly process of drug discovery. This review provides a systematic comparison of their application in designing two…

机器学习 · 计算机科学 2025-11-27 Yiquan Wang , Yahui Ma , Yuhan Chang , Jiayao Yan , Jialin Zhang , Minnuo Cai , Kai Wei

We propose a diffusion-based approach for Text-to-Image (T2I) generation with consistent and interactive 3D layout control and editing. While prior methods improve spatial adherence using 2D cues or iterative copy-warp-paste strategies,…

计算机视觉与模式识别 · 计算机科学 2026-01-21 Andrea Rigo , Luca Stornaiuolo , Weijie Wang , Mauro Martino , Bruno Lepri , Nicu Sebe

Low-field to high-field MRI synthesis has emerged as a cost-effective strategy to enhance image quality under hardware and acquisition constraints, particularly in scenarios where access to high-field scanners is limited or impractical.…

计算机视觉与模式识别 · 计算机科学 2026-03-13 Zhenxuan Zhang , Peiyuan Jing , Ruicheng Yuan , Liwei Hu , Anbang Wang , Fanwen Wang , Yinzhe Wu , Kh Tohidul Islam , Zhaolin Chen , Zi Wang , Peter Lally , Guang Yang

The fine-tuning technique for text-to-image diffusion models facilitates image customization but risks privacy breaches and opinion manipulation. Current research focuses on prompt- or image-level adversarial attacks for anti-customization,…

计算机视觉与模式识别 · 计算机科学 2025-03-19 Long Tang , Dengpan Ye , Sirun Chen , Xiuwen Shi , Yunna Lv , Ziyi Liu

With the rapid advancement of diffusion-based generative models, Stable Diffusion (SD) has emerged as a state-of-the-art framework for high-fidelity im-age synthesis. However, existing SD models suffer from suboptimal feature aggregation,…

图形学 · 计算机科学 2025-07-21 Zhen-Qi Chen , Yuan-Fu Yang

Diffusion Probabilistic Models (DPMs) have demonstrated significant potential in 3D medical image segmentation tasks. However, their high computational cost and inability to fully capture global 3D contextual information limit their…

图像与视频处理 · 电气工程与系统科学 2025-04-17 Kangbo Ma

Diffusion models are the go-to method for Text-to-Image generation, but their iterative denoising processes has high inference latency. Quantization reduces compute time by using lower bitwidths, but applies a fixed precision across all…

计算机视觉与模式识别 · 计算机科学 2026-03-17 Basile Lewandowski , Simon Kurz , Aditya Shankar , Robert Birke , Jian-Jia Chen , Lydia Y. Chen

Accurately predicting the binding conformation of small-molecule ligands to protein targets is a critical step in rational drug design. Although recent deep learning-based docking surpasses traditional methods in speed and accuracy, many…

计算机视觉与模式识别 · 计算机科学 2025-08-14 Liyan Jia , Chuan-Xian Ren , Hong Yan

Advances in deep generative models shed light on de novo molecule generation with desired properties. However, molecule generation targeted for dual protein targets still faces formidable challenges including protein 3D structure data…