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Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…

Machine Learning · Computer Science 2020-02-20 Weihua Hu , Bowen Liu , Joseph Gomes , Marinka Zitnik , Percy Liang , Vijay Pande , Jure Leskovec

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing…

Machine Learning · Computer Science 2023-04-11 Can Chen , Jingbo Zhou , Fan Wang , Xue Liu , Dejing Dou

Supervised machine learning algorithms, such as graph neural networks (GNN), have successfully predicted material properties. However, the superior performance of GNN usually relies on end-to-end learning on large material datasets, which…

Materials Science · Physics 2025-05-22 Jian-Gang Kong , Ke-Lin Zhao , Jian Li , Qing-Xu Li , Yu Liu , Rui Zhang , Jia-Ji Zhu , Kai Chang

Representing a graph as a vector is a challenging task; ideally, the representation should be easily computable and conducive to efficient comparisons among graphs, tailored to the particular data and analytical task at hand. Unfortunately,…

Social and Information Networks · Computer Science 2018-11-16 Anton Tsitsulin , Davide Mottin , Panagiotis Karras , Alex Bronstein , Emmanuel Müller

Graphs naturally lend themselves to model the complexities of Hyperspectral Image (HSI) data as well as to serve as semi-supervised classifiers by propagating given labels among nearest neighbours. In this work, we present a novel framework…

Computer Vision and Pattern Recognition · Computer Science 2021-11-01 Madeleine Kotzagiannidis , Carola-Bibiane Schönlieb

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns,…

Machine Learning · Computer Science 2025-02-26 Jinluan Yang , Zhengyu Chen , Teng Xiao , Wenqiao Zhang , Yong Lin , Kun Kuang

Graph neural networks (GNNs) have gained traction over the past few years for their superior performance in numerous machine learning tasks. Graph Convolutional Neural Networks (GCN) are a common variant of GNNs that are known to have high…

Machine Learning · Computer Science 2022-07-06 Sannat Singh Bhasin , Vaibhav Holani , Divij Sanjanwala

Deep models trained in supervised mode have achieved remarkable success on a variety of tasks. When labeled samples are limited, self-supervised learning (SSL) is emerging as a new paradigm for making use of large amounts of unlabeled…

Machine Learning · Computer Science 2022-04-26 Yaochen Xie , Zhao Xu , Jingtun Zhang , Zhengyang Wang , Shuiwang Ji

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures;…

Machine Learning · Computer Science 2022-01-19 Yixin Liu , Yu Zheng , Daokun Zhang , Hongxu Chen , Hao Peng , Shirui Pan

This paper studies the problem of conducting self-supervised learning for node representation learning on graphs. Most existing self-supervised learning methods assume the graph is homophilous, where linked nodes often belong to the same…

Machine Learning · Computer Science 2023-10-03 Teng Xiao , Zhengyu Chen , Zhimeng Guo , Zeyang Zhuang , Suhang Wang

Graph neural networks (GNNs) work well when the graph structure is provided. However, this structure may not always be available in real-world applications. One solution to this problem is to infer a task-specific latent structure and then…

Machine Learning · Computer Science 2021-11-02 Bahare Fatemi , Layla El Asri , Seyed Mehran Kazemi

Graph representation learning (GRL) is critical for graph-structured data analysis. However, most of the existing graph neural networks (GNNs) heavily rely on labeling information, which is normally expensive to obtain in the real world.…

Machine Learning · Computer Science 2022-11-22 Yizhen Zheng , Ming Jin , Shirui Pan , Yuan-Fang Li , Hao Peng , Ming Li , Zhao Li

Antiferromagnetic materials are exciting quantum materials with rich physics and great potential for applications. It is highly demanded of the accurate and efficient theoretical method for determining the critical transition temperatures,…

Materials Science · Physics 2022-06-13 Jian-Gang Kong , Qing-Xu Li , Jian Li , Yu Liu , Jia-Ji Zhu

Graph Neural Networks have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

Machine Learning · Computer Science 2021-02-23 Vijay Lingam , Arun Iyer , Rahul Ragesh

The message-passing mechanism underlying Graph Neural Networks (GNNs) is not naturally suited for heterophilic datasets, where adjacent nodes often have different labels. Most solutions to this problem remain confined to the task of node…

Machine Learning · Computer Science 2025-06-30 Andrea Giuseppe Di Francesco , Francesco Caso , Maria Sofia Bucarelli , Fabrizio Silvestri

In recent years, using a self-supervised learning framework to learn the general characteristics of graphs has been considered a promising paradigm for graph representation learning. The core of self-supervised learning strategies for graph…

Machine Learning · Computer Science 2022-12-09 Jiawei Zhu , Mei Hong , Ronghua Du , Haifeng Li

Seminal works on graph neural networks have primarily targeted semi-supervised node classification problems with few observed labels and high-dimensional signals. With the development of graph networks, this setup has become a de facto…

Social and Information Networks · Computer Science 2020-02-11 Clément Vignac , Guillermo Ortiz-Jiménez , Pascal Frossard

Recently there is a growing focus on graph data, and multi-view graph clustering has become a popular area of research interest. Most of the existing methods are only applicable to homophilous graphs, yet the extensive real-world graph data…

Machine Learning · Computer Science 2024-01-08 Zichen Wen , Yawen Ling , Yazhou Ren , Tianyi Wu , Jianpeng Chen , Xiaorong Pu , Zhifeng Hao , Lifang He

Graph Neural Networks (GNNs) are popular machine learning methods for modeling graph data. A lot of GNNs perform well on homophily graphs while having unsatisfactory performance on heterophily graphs. Recently, some researchers turn their…

Machine Learning · Computer Science 2022-09-20 Wendong Bi , Lun Du , Qiang Fu , Yanlin Wang , Shi Han , Dongmei Zhang

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li