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Molecular de novo design is a critical yet challenging task in scientific fields, aiming to design novel molecular structures with desired property profiles. Significant progress has been made by resorting to generative models for graphs.…

Machine Learning · Computer Science 2023-05-16 Yiheng Zhu , Zhenqiu Ouyang , Ben Liao , Jialu Wu , Yixuan Wu , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Diffusion-based generative models have emerged as powerful tools in the realm of generative modeling. Despite extensive research on denoising across various timesteps and noise levels, a conflict persists regarding the relative difficulties…

Computer Vision and Pattern Recognition · Computer Science 2025-02-12 Jin-Young Kim , Hyojun Go , Soonwoo Kwon , Hyun-Gyoon Kim

Creating graphic layouts is a fundamental step in graphic designs. In this work, we present a novel generative model named LayoutDiffusion for automatic layout generation. As layout is typically represented as a sequence of discrete tokens,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-16 Junyi Zhang , Jiaqi Guo , Shizhao Sun , Jian-Guang Lou , Dongmei Zhang

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each…

Graph structures offer a versatile framework for representing diverse patterns in nature and complex systems, applicable across domains like molecular chemistry, social networks, and transportation systems. While diffusion models have…

Machine Learning · Computer Science 2024-06-10 Adrien Carrel

Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the…

Machine Learning · Computer Science 2022-10-06 Xiaojie Guo , Liang Zhao

Recently, diffusion model have demonstrated impressive image generation performances, and have been extensively studied in various computer vision tasks. Unfortunately, training and evaluating diffusion models consume a lot of time and…

Computer Vision and Pattern Recognition · Computer Science 2022-10-03 Dohoon Ryu , Jong Chul Ye

Flow Matching has recently emerged as a popular class of generative models for simulating a target distribution $\mu_1$ from samples drawn from a source distribution $\mu_0$. This framework relies on a fixed coupling between $\mu_0$ and…

Machine Learning · Computer Science 2026-05-12 Le-Tuyet-Nhi Pham , Giovanni Conforti , Zhenjie Ren , Alain Durmus

Recent advances in denoising diffusion models have enabled rapid generation of optimized structures for topology optimization. However, these models often rely on surrogate predictors to enforce physical constraints, which may fail to…

Machine Learning · Computer Science 2025-08-05 Euihyun Kim , Keun Park , Yeoneung Kim

Graph-structured data jointly contain discrete topology and continuous geometry, which poses fundamental challenges for generative modeling due to heterogeneous distributions, incompatible noise dynamics, and the need for equivariant…

Machine Learning · Computer Science 2026-04-10 Rongjian Xu , Teng Pang , Zhiqiang Dong , Guoqiang Wu

Graph neural networks (GNNs) face significant challenges with class imbalance, leading to biased inference results. To address this issue in heterogeneous graphs, we propose a novel framework that combines Graph Neural Network (GNN) and…

Machine Learning · Computer Science 2024-11-26 Hung-Chun Hsu , Bo-Jun Wu , Ming-Yi Hong , Che Lin , Chih-Yu Wang

We introduce U-shaped encoder-decoder graph neural networks (U-GNNs) for stochastic graph signal generation using denoising diffusion processes. The architecture learns node features at different resolutions with skip connections between…

Machine Learning · Computer Science 2025-09-23 Yigit Berkay Uslu , Samar Hadou , Sergio Rozada , Shirin Saeedi Bidokhti , Alejandro Ribeiro

We introduce a novel matching algorithm, called DeepMatching, to compute dense correspondences between images. DeepMatching relies on a hierarchical, multi-layer, correlational architecture designed for matching images and was inspired by…

Computer Vision and Pattern Recognition · Computer Science 2015-10-12 Jerome Revaud , Philippe Weinzaepfel , Zaid Harchaoui , Cordelia Schmid

Denoising diffusion models (DDMs) have recently attracted increasing attention by showing impressive synthesis quality. DDMs are built on a diffusion process that pushes data to the noise distribution and the models learn to denoise. In…

Machine Learning · Computer Science 2023-05-16 Jaemoo Choi , Yesom Park , Myungjoo Kang

Accurate traffic conditions prediction provides a solid foundation for vehicle-environment coordination and traffic control tasks. Because of the complexity of road network data in spatial distribution and the diversity of deep learning…

Machine Learning · Computer Science 2022-09-09 Shilin Pu , Liang Chu , Zhuoran Hou , Jincheng Hu , Yanjun Huang , Yuanjian Zhang

Using graphs to model irregular information domains is an effective approach to deal with some of the intricacies of contemporary (network) data. A key aspect is how the data, represented as graph signals, depend on the topology of the…

Signal Processing · Electrical Eng. & Systems 2023-05-02 Fernando J. Iglesias Garcia , Santiago Segarra , Antonio G. Marques

Flow matching has emerged as a compelling generative modeling approach that is widely used across domains. To generate data via a flow matching model, an ordinary differential equation (ODE) is numerically solved via forward integration of…

Computer Vision and Pattern Recognition · Computer Science 2025-07-18 Yichi Zhang , Yici Yan , Alex Schwing , Zhizhen Zhao

Diffusion probabilistic models have quickly become a major approach for generative modeling of images, 3D geometry, video and other domains. However, to adapt diffusion generative modeling to these domains the denoising network needs to be…

Computer Vision and Pattern Recognition · Computer Science 2023-03-02 Peiye Zhuang , Samira Abnar , Jiatao Gu , Alex Schwing , Joshua M. Susskind , Miguel Ángel Bautista

Diffusion models have recently gained unprecedented attention in the field of image synthesis due to their remarkable generative capabilities. Notwithstanding their prowess, these models often incur substantial computational costs,…

Computer Vision and Pattern Recognition · Computer Science 2023-12-11 Xinyin Ma , Gongfan Fang , Xinchao Wang

Despite remarkable success in diverse web-based applications, Graph Neural Networks(GNNs) inherit and further exacerbate historical discrimination and social stereotypes, which critically hinder their deployments in high-stake domains such…

Machine Learning · Computer Science 2025-01-28 Ying Song , Balaji Palanisamy