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We develop a polycrystal graph neural network (PGNN) model for predicting the effective properties of polycrystalline materials, using the Li7La3Zr2O12 ceramic as an example. A large-scale dataset with >5000 different three-dimensional…

Materials Science · Physics 2023-06-09 Minyi Dai , Mehmet F. Demirel , Xuanhan Liu , Yingyu Liang , Jia-Mian Hu

Graph Neural Networks (GNNs) have been widely used for the representation learning of various structured graph data. While promising, most existing GNNs oversimplified the complexity and diversity of the edges in the graph, and thus…

Machine Learning · Computer Science 2021-10-07 Hao Peng , Ruitong Zhang , Yingtong Dou , Renyu Yang , Jingyi Zhang , Philip S. Yu

Spectral-based graph neural networks (SGNNs) have been attracting increasing attention in graph representation learning. However, existing SGNNs are limited in implementing graph filters with rigid transforms (e.g., graph Fourier or…

Machine Learning · Computer Science 2022-01-05 Mingxing Xu , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong , Pascal Frossard

Graph convolutional networks (GCNs) have proven to be an effective approach for 3D human pose estimation. By naturally modeling the skeleton structure of the human body as a graph, GCNs are able to capture the spatial relationships between…

Computer Vision and Pattern Recognition · Computer Science 2023-08-09 Zaedul Islam , A. Ben Hamza

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

Inferring the graph structure from observed data is a key task in graph machine learning to capture the intrinsic relationship between data entities. While significant advancements have been made in learning the structure of homogeneous…

Machine Learning · Computer Science 2025-03-13 Keyue Jiang , Bohan Tang , Xiaowen Dong , Laura Toni

Explainable artificial intelligence (XAI) is an important area in the AI community, and interpretability is crucial for building robust and trustworthy AI models. While previous work has explored model-level and instance-level explainable…

Machine Learning · Computer Science 2025-12-05 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan

Searching for a path between two nodes in a graph is one of the most well-studied and fundamental problems in computer science. In numerous domains such as robotics, AI, or biology, practitioners develop search heuristics to accelerate…

Machine Learning · Computer Science 2023-01-12 Michal Pándy , Weikang Qiu , Gabriele Corso , Petar Veličković , Rex Ying , Jure Leskovec , Pietro Liò

In recommender systems, user-item interactions can be modeled as a bipartite graph, where user and item nodes are connected by undirected edges. This graph-based view has motivated the rapid adoption of graph neural networks (GNNs), which…

The sequential recommendation systems capture users' dynamic behavior patterns to predict their next interaction behaviors. Most existing sequential recommendation methods only exploit the local context information of an individual…

Information Retrieval · Computer Science 2022-06-08 Yixin Zhang , Yong Liu , Yonghui Xu , Hao Xiong , Chenyi Lei , Wei He , Lizhen Cui , Chunyan Miao

Higher-order interactions (HOIs) are ubiquitous in real-world complex systems and applications. Investigation of deep learning for HOIs, thus, has become a valuable agenda for the data mining and machine learning communities. As networks of…

Machine Learning · Computer Science 2024-07-26 Sunwoo Kim , Soo Yong Lee , Yue Gao , Alessia Antelmi , Mirko Polato , Kijung Shin

The rapid growth of location-based services(LBSs)has greatly enriched people's urban lives and attracted millions of users in recent years. Location-based social networks(LBSNs)allow users to check-in at a physical location and share daily…

Social and Information Networks · Computer Science 2017-12-27 Shudong Liu

Recommender system is one of the most important information services on today's Internet. Recently, graph neural networks have become the new state-of-the-art approach to recommender systems. In this survey, we conduct a comprehensive…

Information Retrieval · Computer Science 2023-01-13 Chen Gao , Yu Zheng , Nian Li , Yinfeng Li , Yingrong Qin , Jinghua Piao , Yuhan Quan , Jianxin Chang , Depeng Jin , Xiangnan He , Yong Li

In this paper, we propose an end-to-end graph learning framework, namely Deep Iterative and Adaptive Learning for Graph Neural Networks (DIAL-GNN), for jointly learning the graph structure and graph embeddings simultaneously. We first cast…

Machine Learning · Computer Science 2019-12-18 Yu Chen , Lingfei Wu , Mohammed J. Zaki

Modeling user preference from his historical sequences is one of the core problems of sequential recommendation. Existing methods in this field are widely distributed from conventional methods to deep learning methods. However, most of them…

Information Retrieval · Computer Science 2021-07-28 Mengqi Zhang , Shu Wu , Xueli Yu , Qiang Liu , Liang Wang

Under circumstances of heterophily, where nodes with different labels tend to be connected based on semantic meanings, Graph Neural Networks (GNNs) often exhibit suboptimal performance. Current studies on graph heterophily mainly focus on…

Machine Learning · Computer Science 2024-11-13 Yilun Zheng , Jiahao Xu , Lihui Chen

The user review data have been demonstrated to be effective in solving different recommendation problems. Previous review-based recommendation methods usually employ sophisticated compositional models, such as Recurrent Neural Networks…

Information Retrieval · Computer Science 2021-01-26 Yong Liu , Susen Yang , Yinan Zhang , Chunyan Miao , Zaiqing Nie , Juyong Zhang

Graph pooling has been increasingly considered for graph neural networks (GNNs) to facilitate hierarchical graph representation learning. Existing graph pooling methods commonly consist of two stages, i.e., selecting the top-ranked nodes…

Machine Learning · Computer Science 2022-04-28 Mingxing Xu , Wenrui Dai , Chenglin Li , Junni Zou , Hongkai Xiong

The topological (or graph) structures of real-world networks are known to be predictive of multiple dynamic properties of the networks. Conventionally, a graph structure is represented using an adjacency matrix or a set of hand-crafted…

Social and Information Networks · Computer Science 2016-10-21 Cheng Li , Xiaoxiao Guo , Qiaozhu Mei

Graph neural networks (GNNs) have drawn increasing attention in recent years and achieved remarkable performance in many graph-based tasks, especially in semi-supervised learning on graphs. However, most existing GNNs are based on the…

Machine Learning · Computer Science 2024-01-24 Li Zhou , Wenyu Chen , Dingyi Zeng , Shaohuan Cheng , Wanlong Liu , Malu Zhang , Hong Qu