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As the basic element of graph-structured data, node has been recognized as the main object of study in graph representation learning. A single node intuitively has multiple node-centered subgraphs from the whole graph (e.g., one person in a…

Artificial Intelligence · Computer Science 2023-09-01 Dong Li , Wenjun Wang , Minglai Shao , Chen Zhao

Graph representation learning embeds nodes in large graphs as low-dimensional vectors and is of great benefit to many downstream applications. Most embedding frameworks, however, are inherently transductive and unable to generalize to…

Machine Learning · Computer Science 2020-02-27 Huiling Zhu , Xin Luo , Hankz Hankui Zhuo

Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top…

Quantitative Methods · Quantitative Biology 2023-11-30 Zhichun Guo , Kehan Guo , Bozhao Nan , Yijun Tian , Roshni G. Iyer , Yihong Ma , Olaf Wiest , Xiangliang Zhang , Wei Wang , Chuxu Zhang , Nitesh V. Chawla

In the age of big data, the demand for hidden information mining in technological intellectual property is increasing in discrete countries. Definitely, a considerable number of graph learning algorithms for technological intellectual…

Information Retrieval · Computer Science 2022-10-13 Yuxin Liu , Yawen Li , Yingxia Shao , Zeli Guan

The problem of knowledge graph (KG) reasoning has been widely explored by traditional rule-based systems and more recently by knowledge graph embedding methods. While logical rules can capture deterministic behavior in a KG they are brittle…

Artificial Intelligence · Computer Science 2020-09-24 Susheel Suresh , Jennifer Neville

Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In…

Quantitative Methods · Quantitative Biology 2021-10-19 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Chee-Kong Lee

Graphs serve as versatile data structures in numerous real-world domains-including social networks, molecular biology, and knowledge graphs-by capturing intricate relational information among entities. Among graph-based learning techniques,…

Machine Learning · Computer Science 2025-05-21 Chou-Ying Hsieh , Chun-Fu Jang , Cheng-En Hsieh , Qian-Hui Chen , Sy-Yen Kuo

Deep neural networks need huge amount of training data, while in real world there is a scarcity of data available for training purposes. To resolve these issues, self-supervised learning (SSL) methods are used. SSL using geometric…

Computer Vision and Pattern Recognition · Computer Science 2022-02-18 Muhammad Ali , Sayed Hashim

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

Recent multimodal models such as Contrastive Language-Image Pre-training (CLIP) have shown remarkable ability to align visual and linguistic representations. However, domains where small visual differences carry large semantic significance,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Hiroshi Sasaki

Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Machine Learning · Computer Science 2026-04-09 Yi Yang , Ovidiu Daescu

EEG signals are usually simple to obtain but expensive to label. Although supervised learning has been widely used in the field of EEG signal analysis, its generalization performance is limited by the amount of annotated data.…

Machine Learning · Computer Science 2021-09-17 Xue Jiang , Jianhui Zhao , Bo Du , Zhiyong Yuan

Knowledge representation is a long-history topic in AI, which is very important. A variety of models have been proposed for knowledge graph embedding, which projects symbolic entities and relations into continuous vector space. However,…

Machine Learning · Computer Science 2020-04-02 Han Xiao , Minlie Huang , Xiaoyan Zhu

A main challenge in mining network-based data is finding effective ways to represent or encode graph structures so that it can be efficiently exploited by machine learning algorithms. Several methods have focused in network representation…

Social and Information Networks · Computer Science 2019-03-18 Leonardo Gutiérrez-Gómez , Jean-Charles Delvenne

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

Machine Learning · Computer Science 2022-09-14 Bing Su , Dazhao Du , Zhao Yang , Yujie Zhou , Jiangmeng Li , Anyi Rao , Hao Sun , Zhiwu Lu , Ji-Rong Wen

Self-supervised learning (SSL) of graph neural networks is emerging as a promising way of leveraging unlabeled data. Currently, most methods are based on contrastive learning adapted from the image domain, which requires view generation and…

Machine Learning · Computer Science 2022-07-12 Yaochen Xie , Zhao Xu , Shuiwang Ji

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho

To extract robust deep representations from long sequential modeling of speech data, we propose a self-supervised learning approach, namely Contrastive Separative Coding (CSC). Our key finding is to learn such representations by separating…

Audio and Speech Processing · Electrical Eng. & Systems 2021-03-02 Jun Wang , Max W. Y. Lam , Dan Su , Dong Yu

Self-Supervised Learning (SSL) has been shown to learn useful and information-preserving representations. Neural Networks (NNs) are widely applied, yet their weight space is still not fully understood. Therefore, we propose to use SSL to…

Machine Learning · Computer Science 2022-12-15 Konstantin Schürholt , Dimche Kostadinov , Damian Borth

Based on digital pathology slice scanning technology, artificial intelligence algorithms represented by deep learning have achieved remarkable results in the field of computational pathology. Compared to other medical images, pathology…

Image and Video Processing · Electrical Eng. & Systems 2023-11-17 Hao Quan , Xingyu Li , Weixing Chen , Qun Bai , Mingchen Zou , Ruijie Yang , Tingting Zheng , Ruiqun Qi , Xinghua Gao , Xiaoyu Cui