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Given the input graph and its label/property, several key problems of graph learning, such as finding interpretable subgraphs, graph denoising and graph compression, can be attributed to the fundamental problem of recognizing a subgraph of…

Machine Learning · Computer Science 2020-10-13 Junchi Yu , Tingyang Xu , Yu Rong , Yatao Bian , Junzhou Huang , Ran He

The emergence of Graph Convolutional Network (GCN) has greatly boosted the progress of graph learning. However, two disturbing factors, noise and redundancy in graph data, and lack of interpretation for prediction results, impede further…

Machine Learning · Computer Science 2021-03-23 Junchi Yu , Tingyang Xu , Yu Rong , Yatao Bian , Junzhou Huang , Ran He

Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and…

Machine Learning · Computer Science 2021-12-17 Qingyun Sun , Jianxin Li , Hao Peng , Jia Wu , Xingcheng Fu , Cheng Ji , Philip S. Yu

Representation learning of graph-structured data is challenging because both graph structure and node features carry important information. Graph Neural Networks (GNNs) provide an expressive way to fuse information from network structure…

Machine Learning · Computer Science 2020-10-27 Tailin Wu , Hongyu Ren , Pan Li , Jure Leskovec

The success of Graph Neural Networks (GNNs) has led to a need for understanding their decision-making process and providing explanations for their predictions, which has given rise to explainable AI (XAI) that offers transparent…

Machine Learning · Computer Science 2024-02-21 Sangwoo Seo , Sungwon Kim , Chanyoung Park

With the rapid emergence of multi-behavior learning in recommender systems, leveraging auxiliary user behaviors has proven effective for mitigating target-behavior data sparsity. Yet auxiliary behavior graphs frequently contain noisy or…

Information Retrieval · Computer Science 2026-05-26 Likang Wu , Zihao Chen , Jianxin Zhang , Sangqi Zhu , Yuanyuan Ge , Haipeng Yang , Lei Zhang

Graph neural networks (GNNs) are prominent for their effectiveness in processing graph data for semi-supervised node classification tasks. Most works of GNNs assume that the observed structure accurately represents the underlying node…

Machine Learning · Computer Science 2024-11-08 Shuangjie Li , Jiangqing Song , Baoming Zhang , Gaoli Ruan , Junyuan Xie , Chongjun Wang

Temporal graph learning is crucial for dynamic networks where nodes and edges evolve over time and new nodes continuously join the system. Inductive representation learning in such settings faces two major challenges: effectively…

Machine Learning · Computer Science 2025-08-21 Jiafeng Xiong , Rizos Sakellariou

Graph data, essential in fields like knowledge representation and social networks, often involves large networks with many nodes and edges. Transmitting these graphs can be highly inefficient due to their size and redundancy for specific…

Machine Learning · Computer Science 2024-09-05 Shujing Li , Yanhu Wang , Shuaishuai Guo , Chenyuan Feng

Recent studies have revealed that GNNs are vulnerable to adversarial attacks. Most existing robust graph learning methods measure model robustness based on label information, rendering them infeasible when label information is not…

Machine Learning · Computer Science 2023-06-09 Jihong Wang , Minnan Luo , Jundong Li , Ziqi Liu , Jun Zhou , Qinghua Zheng

Dynamic Graphs widely exist in the real world, which carry complicated spatial and temporal feature patterns, challenging their representation learning. Dynamic Graph Neural Networks (DGNNs) have shown impressive predictive abilities by…

Machine Learning · Computer Science 2024-04-09 Haonan Yuan , Qingyun Sun , Xingcheng Fu , Cheng Ji , Jianxin Li

The empirical studies of Graph Neural Networks (GNNs) broadly take the original node feature and adjacency relationship as singleview input, ignoring the rich information of multiple graph views. To circumvent this issue, the multiview…

Machine Learning · Computer Science 2022-10-13 Xiaolong Fan , Maoguo Gong , Yue Wu , Mingyang Zhang , Hao Li , Xiangming Jiang

Graph neural networks(GNNs) have been demonstrated to depend on whether the node effective information is sufficiently passing. Discrete curvature (Ricci curvature) is used to study graph connectivity and information propagation efficiency…

Machine Learning · Computer Science 2024-12-31 Xingcheng Fu , Jian Wang , Yisen Gao , Qingyun Sun , Haonan Yuan , Jianxin Li , Xianxian Li

Due to the superior performance of Graph Neural Networks (GNNs) in various domains, there is an increasing interest in the GNN explanation problem "\emph{which fraction of the input graph is the most crucial to decide the model's…

Machine Learning · Computer Science 2022-07-04 Qinghua Zheng , Jihong Wang , Minnan Luo , Yaoliang Yu , Jundong Li , Lina Yao , Xiaojun Chang

Although link prediction on graphs has achieved great success with the development of graph neural networks (GNNs), the potential robustness under the edge noise is still less investigated. To close this gap, we first conduct an empirical…

Machine Learning · Computer Science 2023-11-03 Zhanke Zhou , Jiangchao Yao , Jiaxu Liu , Xiawei Guo , Quanming Yao , Li He , Liang Wang , Bo Zheng , Bo Han

Deep neural networks suffer from poor generalization to unseen environments when the underlying data distribution is different from that in the training set. By learning minimum sufficient representations from training data, the information…

Machine Learning · Computer Science 2021-10-13 Francesco Alesiani , Shujian Yu , Xi Yu

Out-of-distribution (OOD) graph generalization are critical for many real-world applications. Existing methods neglect to discard spurious or noisy features of inputs, which are irrelevant to the label. Besides, they mainly conduct…

Machine Learning · Computer Science 2023-06-29 Ling Yang , Jiayi Zheng , Heyuan Wang , Zhongyi Liu , Zhilin Huang , Shenda Hong , Wentao Zhang , Bin Cui

Molecular dynamics simulations offer detailed insights into atomic motions but face timescale limitations. Enhanced sampling methods have addressed these challenges but even with machine learning, they often rely on pre-selected…

Machine Learning · Computer Science 2024-09-19 Ziyue Zou , Dedi Wang , Pratyush Tiwary

Recent pre-training strategies for molecular graphs have attempted to use 2D and 3D molecular views as both inputs and self-supervised signals, primarily aligning graph-level representations. However, existing studies remain limited in…

Machine Learning · Computer Science 2025-11-25 Van Thuy Hoang , O-Joun Lee

We propose a unified information-geometric framework that formalizes understanding in learning as a trade-off between informativeness and geometric simplicity. An encoder phi is evaluated by U(phi) = I(phi(X); Y) - beta * C(phi), where…

Machine Learning · Computer Science 2025-11-05 Ronald Katende
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