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Discrete graph generation has emerged as a powerful paradigm for modeling graph data, often relying on highly expressive neural backbones such as transformers or higher-order architectures. We revisit this design choice by introducing…

Machine Learning · Computer Science 2026-03-11 Jay Revolinsky , Harry Shomer , Jiliang Tang

Denoising Diffusion Probabilistic Models (DDPMs) represent a contemporary class of generative models with exceptional qualities in both synthesis and maximizing the data likelihood. These models work by traversing a forward Markov Chain…

Machine Learning · Computer Science 2024-09-16 Hang Li , Wei Jin , Geri Skenderi , Harry Shomer , Wenzhuo Tang , Wenqi Fan , Jiliang Tang

Graph anomaly detection (GAD) is a challenging binary classification problem due to its different structural distribution between anomalies and normal nodes -- abnormal nodes are a minority, therefore holding high heterophily and low…

Machine Learning · Computer Science 2024-01-26 Yuan Gao , Xiang Wang , Xiangnan He , Zhenguang Liu , Huamin Feng , Yongdong Zhang

Graph generation generally aims to create new graphs that closely align with a specific graph distribution. Existing works often implicitly capture this distribution through the optimization of generators, potentially overlooking the…

Machine Learning · Computer Science 2024-07-19 Song Wang , Zhen Tan , Xinyu Zhao , Tianlong Chen , Huan Liu , Jundong Li

Diffusion probabilistic models (DPMs), widely recognized for their potential to generate high-quality samples, tend to go unnoticed in representation learning. While recent progress has highlighted their potential for capturing visual…

Machine Learning · Computer Science 2025-05-09 Dingshuo Chen , Shuchen Xue , Liuji Chen , Yingheng Wang , Qiang Liu , Shu Wu , Zhi-Ming Ma , Liang Wang

Designing new molecules is essential for drug discovery and material science. Recently, deep generative models that aim to model molecule distribution have made promising progress in narrowing down the chemical research space and generating…

Biomolecules · Quantitative Biology 2023-06-06 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

Designing biological sequences is an important challenge that requires satisfying complex constraints and thus is a natural problem to address with deep generative modeling. Diffusion generative models have achieved considerable success in…

Machine Learning · Computer Science 2023-06-19 Pavel Avdeyev , Chenlai Shi , Yuhao Tan , Kseniia Dudnyk , Jian Zhou

Autoregressive models excel in efficiency and plug directly into the transformer ecosystem, delivering robust generalization, predictable scalability, and seamless workflows such as fine-tuning and parallelized training. However, they…

Machine Learning · Computer Science 2025-06-13 Samuel Belkadi , Steve Hong , Marian Chen , Miruna Cretu , Charles Harris , Pietro Lio

Recent years have witnessed Spiking Neural Networks (SNNs) gaining attention for their ultra-low energy consumption and high biological plausibility compared with traditional Artificial Neural Networks (ANNs). Despite their distinguished…

Neural and Evolutionary Computing · Computer Science 2024-08-30 Jiahang Cao , Hanzhong Guo , Ziqing Wang , Deming Zhou , Hao Cheng , Qiang Zhang , Renjing Xu

Graph Neural Networks (GNNs) have recently been applied to graph learning tasks and achieved state-of-the-art (SOTA) results. However, many competitive methods run GNNs multiple times with subgraph extraction and customized labeling to…

Machine Learning · Computer Science 2023-02-14 Lecheng Kong , Yixin Chen , Muhan Zhang

We consider the problem of molecular graph generation using deep models. While graphs are discrete, most existing methods use continuous latent variables, resulting in inaccurate modeling of discrete graph structures. In this work, we…

Machine Learning · Computer Science 2021-06-03 Youzhi Luo , Keqiang Yan , Shuiwang Ji

Diffusion models (DMs) have demonstrated exceptional generative capabilities across various domains, including image, video, and so on. A key factor contributing to their effectiveness is the high quantity and quality of data used during…

Computer Vision and Pattern Recognition · Computer Science 2025-03-03 Qianlong Xiang , Miao Zhang , Yuzhang Shang , Jianlong Wu , Yan Yan , Liqiang Nie

Graph Neural Networks (GNNs) have received much attention in the graph deep learning domain. However, recent research empirically and theoretically shows that deep GNNs suffer from over-fitting and over-smoothing problems. The usual…

Machine Learning · Computer Science 2022-09-05 Chuxiong Sun , Jie Hu , Hongming Gu , Jinpeng Chen , Mingchuan Yang

Recent years have witnessed significant progress in developing effective training and fast sampling techniques for diffusion models. A remarkable advancement is the use of stochastic differential equations (SDEs) and their…

Computer Vision and Pattern Recognition · Computer Science 2024-08-26 Defang Chen , Zhenyu Zhou , Jian-Ping Mei , Chunhua Shen , Chun Chen , Can Wang

Classification tasks based on feature vectors can be significantly improved by including within deep learning a graph that summarises pairwise relationships between the samples. Intuitively, the graph acts as a conduit to channel and bias…

Machine Learning · Computer Science 2019-09-27 Robert L. Peach , Alexis Arnaudon , Mauricio Barahona

Score-based diffusion models (SBDM) have recently emerged as state-of-the-art approaches for image generation. Existing SBDMs are typically formulated in a finite-dimensional setting, where images are considered as tensors of finite size.…

Machine Learning · Computer Science 2024-10-22 Paul Hagemann , Sophie Mildenberger , Lars Ruthotto , Gabriele Steidl , Nicole Tianjiao Yang

Diffusion-based generative models use stochastic differential equations (SDEs) and their equivalent ordinary differential equations (ODEs) to establish a smooth connection between a complex data distribution and a tractable prior…

Machine Learning · Computer Science 2024-08-25 Defang Chen , Zhenyu Zhou , Can Wang , Chunhua Shen , Siwei Lyu

The Stable Diffusion Model (SDM) is a prevalent and effective model for text-to-image (T2I) and image-to-image (I2I) generation. Despite various attempts at sampler optimization, model distillation, and network quantification, these…

Computer Vision and Pattern Recognition · Computer Science 2024-06-18 Jinchao Zhu , Yuxuan Wang , Siyuan Pan , Pengfei Wan , Di Zhang , Gao Huang

Graph anomaly detection (GAD) is crucial in applications like fraud detection and cybersecurity. Despite recent advancements using graph neural networks (GNNs), two major challenges persist. At the model level, most methods adopt a…

Machine Learning · Computer Science 2026-02-06 Chunyu Wei , Siyuan He , Yu Wang , Yueguo Chen , Yunhai Wang , Bing Bai , Yidong Zhang , Yong Xie , Shunming Zhang , Fei Wang

This work introduces NetDiff, an expressive graph denoising diffusion probabilistic architecture that generates wireless ad hoc network link topologies. Such networks, with directional antennas, can achieve unmatched performance when the…

Social and Information Networks · Computer Science 2024-10-14 Félix Marcoccia , Cédric Adjih , Paul Mühlethaler