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The paradigm shift toward structure-driven molecule generation has been propelled by advances in deep generative models, such as variational auto-encoders and diffusion models. However, these generative models for molecular design remain…

Machine Learning · Computer Science 2026-04-17 Peidong Liu , Wenbo Zhang , Wei Ju , Jiancheng Lv , Xianggen Liu

Deep generative models have achieved tremendous success in structure-based drug design in recent years, especially for generating 3D ligand molecules that bind to specific protein pocket. Notably, diffusion models have transformed ligand…

Machine Learning · Computer Science 2024-12-03 Daiheng Zhang , Chengyue Gong , Qiang Liu

Diffusion models have recently achieved great success in the synthesis of high-quality images and videos. However, the existing denoising techniques in diffusion models are commonly based on step-by-step noise predictions, which suffers…

Computer Vision and Pattern Recognition · Computer Science 2024-10-15 Hancheng Ye , Jiakang Yuan , Renqiu Xia , Xiangchao Yan , Tao Chen , Junchi Yan , Botian Shi , Bo Zhang

Diffusion models promise efficient parallel text generation but rely on bidirectional attention, creating a structural mismatch with pre-trained Autoregressive (AR) models. This incompatibility precludes reusing robust AR priors,…

Computation and Language · Computer Science 2026-05-29 Xiangyu Ma , Teng Xiao , Zuchao Li , Lefei Zhang

Source separation is a fundamental task in speech, music, and audio processing, and it also provides cleaner and larger data for training generative models. However, improving separation performance in practice often depends on increasingly…

Sound · Computer Science 2025-10-15 Yongsheng Feng , Yuetonghui Xu , Jiehui Luo , Hongjia Liu , Xiaobing Li , Feng Yu , Wei Li

All-in-one image restoration aims to address diverse degradation types using a single unified model. Existing methods typically rely on degradation priors to guide restoration, yet often struggle to reconstruct content in severely degraded…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Yanjie Tu , Qingsen Yan , Axi Niu , Jiacong Tang

Denoising Diffusion Probabilistic Models have shown extraordinary ability on various generative tasks. However, their slow inference speed renders them impractical in speech synthesis. This paper proposes a linear diffusion model (LinDiff)…

Sound · Computer Science 2023-06-13 Haogeng Liu , Tao Wang , Jie Cao , Ran He , Jianhua Tao

This paper introduces innovative solutions to enhance spatial controllability in diffusion models reliant on text queries. We first introduce vision guidance as a foundational spatial cue within the perturbed distribution. This…

Computer Vision and Pattern Recognition · Computer Science 2024-12-02 Zipeng Qi , Guoxi Huang , Chenyang Liu , Fei Ye

Denoising diffusion models have emerged as the go-to generative framework for solving inverse problems in imaging. A critical concern regarding these models is their performance on out-of-distribution tasks, which remains an under-explored…

Computer Vision and Pattern Recognition · Computer Science 2025-01-29 Riccardo Barbano , Alexander Denker , Hyungjin Chung , Tae Hoon Roh , Simon Arridge , Peter Maass , Bangti Jin , Jong Chul Ye

Recently, diffusion-based blind super-resolution (SR) methods have shown great ability to generate high-resolution images with abundant high-frequency detail, but the detail is often achieved at the expense of fidelity. Meanwhile, another…

Image and Video Processing · Electrical Eng. & Systems 2025-12-02 Shao-Hao Lu , Ren Wang , Ching-Chun Huang , Wei-Chen Chiu

Adversarial evasion attacks pose significant threats to graph learning, with lines of studies that have improved the robustness of Graph Neural Networks (GNNs). However, existing works rely on priors about clean graphs or attacking…

Machine Learning · Computer Science 2025-02-10 Jiayi Luo , Qingyun Sun , Haonan Yuan , Xingcheng Fu , Jianxin Li

Generating images from graph-structured inputs, such as scene graphs, is uniquely challenging due to the difficulty of aligning nodes and connections in graphs with objects and their relations in images. Most existing methods address this…

Computer Vision and Pattern Recognition · Computer Science 2022-11-22 Ling Yang , Zhilin Huang , Yang Song , Shenda Hong , Guohao Li , Wentao Zhang , Bin Cui , Bernard Ghanem , Ming-Hsuan Yang

Diffusion models have emerged as powerful generative models for graph generation, yet their use for conditional graph generation remains a fundamental challenge. In particular, guiding diffusion models on graphs under arbitrary reward…

Machine Learning · Computer Science 2025-05-27 Victor M. Tenorio , Nicolas Zilberstein , Santiago Segarra , Antonio G. Marques

Graph generation is a fundamental problem in graph learning with broad applications across Web-scale systems, knowledge graphs, and scientific domains such as drug and material discovery. Recent approaches leverage diffusion models for…

Machine Learning · Computer Science 2026-03-18 Jiachi Zhao , Zehong Wang , Yamei Liao , Chuxu Zhang , Yanfang Ye

Pansharpening is a significant image fusion technique that merges the spatial content and spectral characteristics of remote sensing images to generate high-resolution multispectral images. Recently, denoising diffusion probabilistic models…

Computer Vision and Pattern Recognition · Computer Science 2024-04-18 Yu Zhong , Xiao Wu , Liang-Jian Deng , Zihan Cao

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…

Image and Video Processing · Electrical Eng. & Systems 2023-04-03 Muzaffer Özbey , Onat Dalmaz , Salman UH Dar , Hasan A Bedel , Şaban Özturk , Alper Güngör , Tolga Çukur

Diffusion models are widely used for generative tasks across domains. Given a pre-trained diffusion model, it is often desirable to fine-tune it further either to correct for errors in learning or to align with downstream applications.…

Irregular multivariate time series impose a trade-off for long-horizon forecasting: discrete methods can distort temporal structure via re-gridding, while continuous-time models often require sequential solvers prone to drift. To bridge…

Machine Learning · Computer Science 2026-05-20 Zinuo You , Jin Zheng , John Cartlidge

DIFF Transformer improves attention allocation by enhancing focus on relevant context while suppressing noise. It introduces a differential attention mechanism that calculates the difference between two independently generated attention…

Machine Learning · Computer Science 2025-12-17 Yueyang Cang , Yuhang Liu , Xiaoteng Zhang , Li Shi , Wenge Que

This paper presents PolyDiffuse, a novel structured reconstruction algorithm that transforms visual sensor data into polygonal shapes with Diffusion Models (DM), an emerging machinery amid exploding generative AI, while formulating…

Computer Vision and Pattern Recognition · Computer Science 2023-12-27 Jiacheng Chen , Ruizhi Deng , Yasutaka Furukawa