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相关论文: When Do Graph Foundation Models Transfer? A Data-C…

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Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

机器学习 · 计算机科学 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

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…

机器学习 · 计算机科学 2026-03-11 Jay Revolinsky , Harry Shomer , Jiliang Tang

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

机器学习 · 计算机科学 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

机器学习 · 计算机科学 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Graph generative models have broad applications in biology, chemistry and social science. However, modelling and understanding the generative process of graphs is challenging due to the discrete and high-dimensional nature of graphs, as…

机器学习 · 计算机科学 2022-12-06 Han Huang , Leilei Sun , Bowen Du , Yanjie Fu , Weifeng Lv

Parameter transfer is a central paradigm in transfer learning, enabling knowledge reuse across tasks and domains by sharing model parameters between upstream and downstream models. However, when only a subset of parameters from the upstream…

机器学习 · 计算机科学 2026-01-08 Hua Yuan , Xuran Meng , Qiufeng Wang , Shiyu Xia , Ning Xu , Xu Yang , Jing Wang , Xin Geng , Yong Rui

Graph neural networks (GNNs) are learning architectures that rely on knowledge of the graph structure to generate meaningful representations of large-scale network data. GNN stability is thus important as in real-world scenarios there are…

机器学习 · 计算机科学 2021-04-27 Luana Ruiz , Zhiyang Wang , Alejandro Ribeiro

We investigate whether the Feed-Forward Network (FFN) sublayer in a decoder-only transformer can be replaced by an explicit learned memory graph while preserving the surrounding autoregressive architecture. The proposed Graph Memory…

机器学习 · 计算机科学 2026-05-29 Nicola Zanarini , Niccolò Ferrari , Evelina Lamma

Hypergraph neural networks (HGNNs) effectively model complex high-order relationships in domains like protein interactions and social networks by connecting multiple vertices through hyperedges, enhancing modeling capabilities, and reducing…

机器学习 · 计算机科学 2025-12-08 Yue Gao , Yifan Feng , Shiquan Liu , Xiangmin Han , Shaoyi Du , Zongze Wu , Han Hu

Foundation models, such as Large Language Models (LLMs) or Large Vision Models (LVMs), have emerged as one of the most powerful tools in the respective fields. However, unlike text and image data, graph data do not have a definitive…

机器学习 · 计算机科学 2025-04-28 Lecheng Kong , Jiarui Feng , Hao Liu , Chengsong Huang , Jiaxin Huang , Yixin Chen , Muhan Zhang

Graph neural networks are experiencing a surge of popularity within the machine learning community due to their ability to adapt to non-Euclidean domains and instil inductive biases. Despite this, their stability, i.e., their robustness to…

机器学习 · 计算机科学 2021-02-19 Henry Kenlay , Dorina Thanou , Xiaowen Dong

As the representations output by Graph Neural Networks (GNNs) are increasingly employed in real-world applications, it becomes important to ensure that these representations are fair and stable. In this work, we establish a key connection…

机器学习 · 计算机科学 2022-07-05 Chirag Agarwal , Himabindu Lakkaraju , Marinka Zitnik

Prior highly-tuned image parsing models are usually studied in a certain domain with a specific set of semantic labels and can hardly be adapted into other scenarios (e.g., sharing discrepant label granularity) without extensive…

计算机视觉与模式识别 · 计算机科学 2021-01-27 Liang Lin , Yiming Gao , Ke Gong , Meng Wang , Xiaodan Liang

Spectral graph neural networks learn graph filters, but their behavior with increasing depth and polynomial order is not well understood. We analyze these models in the graph Fourier domain, where each layer becomes an element-wise…

Graph Neural Networks (GNNs) are susceptible to distribution shifts, creating vulnerability and security issues in critical domains. There is a pressing need to enhance the generalizability of GNNs on out-of-distribution (OOD) test data.…

机器学习 · 计算机科学 2024-10-29 Xiaoxue Han , Huzefa Rangwala , Yue Ning

The development and evaluation of graph neural networks (GNNs) generally follow the independent and identically distributed (i.i.d.) assumption. Yet this assumption is often untenable in practice due to the uncontrollable data generation…

机器学习 · 计算机科学 2025-03-06 Yiming Xu , Bin Shi , Zhen Peng , Huixiang Liu , Bo Dong , Chen Chen

The increasing scale of graph datasets has significantly improved the performance of graph representation learning methods, but it has also introduced substantial training challenges. Graph dataset condensation techniques have emerged to…

Graph convolutional networks (GCNs) have emerged as powerful models for graph learning tasks, exhibiting promising performance in various domains. While their empirical success is evident, there is a growing need to understand their…

机器学习 · 计算机科学 2025-09-30 Guangrui Yang , Ming Li , Han Feng , Xiaosheng Zhuang

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

机器学习 · 计算机科学 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu

Deep graph learning models have demonstrated remarkable capabilities in processing graph-structured data and have been widely applied across various fields. However, their complex internal architectures and lack of transparency make it…

机器学习 · 计算机科学 2026-01-27 Jinlong Hu , Jiacheng Liu