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Diffusion models are powerful generative models in continuous data domains such as image and video data. Discrete graph diffusion models (DGDMs) have recently extended them for graph generation, which are crucial in fields like molecule and…

Cryptography and Security · Computer Science 2025-03-11 Jiawen Wang , Samin Karim , Yuan Hong , Binghui Wang

The increased model capacity of Diffusion Transformers (DiTs) and the demand for generating higher resolutions of images and videos have led to a significant rise in inference latency, impacting real-time performance adversely. While prior…

Computer Vision and Pattern Recognition · Computer Science 2024-11-22 Xibo Sun , Jiarui Fang , Aoyu Li , Jinzhe Pan

In the visual generative area, discrete diffusion models are gaining traction for their efficiency and compatibility. However, pioneered attempts still fall behind their continuous counterparts, which we attribute to noise (absorbing state)…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Tianren Ma , Xiaosong Zhang , Boyu Yang , Junlan Feng , Qixiang Ye

Diffusion distillation methods aim to compress the diffusion models into efficient one-step generators while trying to preserve quality. Among them, Distribution Matching Distillation (DMD) offers a suitable framework for training…

Computer Vision and Pattern Recognition · Computer Science 2024-06-24 Denis Rakitin , Ivan Shchekotov , Dmitry Vetrov

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

Recently, 3D reconstruction and generation have demonstrated impressive novel view synthesis results, achieving high fidelity and efficiency. However, a notable conditioning gap can be observed between these two fields, e.g., scalable 3D…

Computer Vision and Pattern Recognition · Computer Science 2025-04-01 Sibo Wu , Congrong Xu , Binbin Huang , Andreas Geiger , Anpei Chen

Phase retrieval aims to recover a signal from intensity-only measurements, a fundamental problem in many fields such as imaging, holography, optical computing, crystallography, and microscopy. Although there are several well-known phase…

Image and Video Processing · Electrical Eng. & Systems 2026-01-21 Mehmet Onurcan Kaya , Figen S. Oktem

We introduce SeaDAG, a semi-autoregressive diffusion model for conditional generation of Directed Acyclic Graphs (DAGs). Considering their inherent layer-wise structure, we simulate layer-wise autoregressive generation by designing…

Machine Learning · Computer Science 2024-10-22 Xinyi Zhou , Xing Li , Yingzhao Lian , Yiwen Wang , Lei Chen , Mingxuan Yuan , Jianye Hao , Guangyong Chen , Pheng Ann Heng

Discrete diffusion models have emerged as a promising direction for vision-language tasks, offering bidirectional context modeling and theoretical parallelization. However, their practical application is severely hindered by a…

Computation and Language · Computer Science 2025-10-24 Yatai Ji , Teng Wang , Yuying Ge , Zhiheng Liu , Sidi Yang , Ying Shan , Ping Luo

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…

Machine Learning · Computer Science 2022-03-16 Minkai Xu , Lantao Yu , Yang Song , Chence Shi , Stefano Ermon , Jian Tang

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…

Machine Learning · Computer Science 2025-11-27 Yiquan Wang , Yahui Ma , Yuhan Chang , Jiayao Yan , Jialin Zhang , Minnuo Cai , Kai Wei

Antibodies are essential proteins responsible for immune responses in organisms, capable of specifically recognizing antigen molecules of pathogens. Recent advances in generative models have significantly enhanced rational antibody design.…

Artificial Intelligence · Computer Science 2025-11-10 Zichen Wang , Yaokun Ji , Jianing Tian , Shuangjia Zheng

The inverse design of metasurfaces faces inherent challenges due to the nonlinear and highly complex relationship between geometric configurations and their electromagnetic behavior. Traditional optimization approaches often suffer from…

Recent literature has effectively leveraged diffusion models trained on continuous variables as priors for solving inverse problems. Notably, discrete diffusion models with discrete latent codes have shown strong performance, particularly…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Naoki Murata , Chieh-Hsin Lai , Yuhta Takida , Toshimitsu Uesaka , Bac Nguyen , Stefano Ermon , Yuki Mitsufuji

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

Graph is a prevalent discrete data structure, whose generation has wide applications such as drug discovery and circuit design. Diffusion generative models, as an emerging research focus, have been applied to graph generation tasks.…

Machine Learning · Computer Science 2024-11-05 Zhe Xu , Ruizhong Qiu , Yuzhong Chen , Huiyuan Chen , Xiran Fan , Menghai Pan , Zhichen Zeng , Mahashweta Das , Hanghang Tong

Recent advancements in 3D Gaussian Splatting (3DGS) and Neural Radiance Fields (NeRF) have achieved impressive results in real-time 3D reconstruction and novel view synthesis. However, these methods struggle in large-scale, unconstrained…

Computer Vision and Pattern Recognition · Computer Science 2025-04-03 Niluthpol Chowdhury Mithun , Tuan Pham , Qiao Wang , Ben Southall , Kshitij Minhas , Bogdan Matei , Stephan Mandt , Supun Samarasekera , Rakesh Kumar

Diffusion models have emerged as powerful tools for molecular generation, particularly in the context of 3D molecular structures. Inspired by non-equilibrium statistical physics, these models can generate 3D molecular structures with…

Chemical Physics · Physics 2025-05-16 Amira Alakhdar , Barnabas Poczos , Newell Washburn

Diffusion models have emerged as powerful generative frameworks by progressively adding noise to data through a forward process and then reversing this process to generate realistic samples. While these models have achieved strong…

Machine Learning · Computer Science 2025-03-04 Xingzhuo Guo , Yu Zhang , Baixu Chen , Haoran Xu , Jianmin Wang , Mingsheng Long