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Graph neural networks (GNNs) have become the \textit{de facto} standard for representational learning in graphs, and have achieved state-of-the-art performance in many graph-related tasks; however, it has been shown that the expressive…

Machine Learning · Computer Science 2024-06-28 Tianjun Yao , Yiongxu Wang , Kun Zhang , Shangsong Liang

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Message-passing Graph Neural Networks (GNNs) are often criticized for their limited expressiveness, issues like over-smoothing and over-squashing, and challenges in capturing long-range dependencies. Conversely, Graph Transformers (GTs) are…

Machine Learning · Computer Science 2025-11-04 Yuankai Luo , Lei Shi , Xiao-Ming Wu

Despite recent advances in representation learning in hypercomplex (HC) space, this subject is still vastly unexplored in the context of graphs. Motivated by the complex and quaternion algebras, which have been found in several contexts to…

Machine Learning · Computer Science 2022-02-22 Tuan Le , Marco Bertolini , Frank Noé , Djork-Arné Clevert

Graph neural networks (GNNs) are widely used in graph learning and most architectures propagate information by passing messages between vertices. In this work, we shift our attention to GNNs that perform message passing on edges and…

Machine Learning · Computer Science 2026-02-03 Pablo Barceló , Fabian Jogl , Alexander Kozachinskiy , Matthias Lanzinger , Stefan Neumann , Cristóbal Rojas

Graph transformers (GTs) have emerged as a promising architecture that is theoretically more expressive than message-passing graph neural networks (GNNs). However, typical GT models have at least quadratic complexity and thus cannot scale…

Machine Learning · Computer Science 2024-04-09 Chenhui Deng , Zichao Yue , Zhiru Zhang

Graph Neural Networks (GNNs) are widely applied to graph learning problems such as node classification. When scaling up the underlying graphs of GNNs to a larger size, we are forced to either train on the complete graph and keep the full…

Machine Learning · Computer Science 2024-06-25 Mucong Ding , Tahseen Rabbani , Bang An , Evan Z Wang , Furong Huang

A Relational Markov Decision Process (RMDP) is a first-order representation to express all instances of a single probabilistic planning domain with possibly unbounded number of objects. Early work in RMDPs outputs generalized…

Machine Learning · Computer Science 2020-06-30 Sankalp Garg , Aniket Bajpai , Mausam

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other…

Machine Learning · Computer Science 2022-10-18 Chendi Qian , Gaurav Rattan , Floris Geerts , Christopher Morris , Mathias Niepert

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Temporal Graph Neural Networks (TGNNs) have gained growing attention for modeling and predicting structures in temporal graphs. However, existing TGNNs primarily focus on pairwise interactions while overlooking higher-order structures that…

Machine Learning · Computer Science 2025-05-22 Jingzhe Liu , Zhigang Hua , Yan Xie , Bingheng Li , Harry Shomer , Yu Song , Kaveh Hassani , Jiliang Tang

Message-passing neural networks (MPNNs) are a powerful framework for learning representations of graph-structured domains. However, weights in MPNNs act on features only, limiting their ability to capture structural patterns. We introduce a…

Machine Learning · Computer Science 2026-05-26 Florian Seiffarth

Humans can quickly learn new behaviors by leveraging background world knowledge. In contrast, agents trained with reinforcement learning (RL) typically learn behaviors from scratch. We thus propose a novel approach that uses the vast…

Machine Learning · Computer Science 2024-05-24 William Chen , Oier Mees , Aviral Kumar , Sergey Levine

Second-order Recurrent Neural Networks (2RNNs) extend RNNs by leveraging second-order interactions for sequence modelling. These models are provably more expressive than their first-order counterparts and have connections to well-studied…

Machine Learning · Computer Science 2024-06-10 Maude Lizaire , Michael Rizvi-Martel , Marawan Gamal Abdel Hameed , Guillaume Rabusseau

Graph Neural Networks (GNNs) are effective tools for graph representation learning. Most GNNs rely on a recursive neighborhood aggregation scheme, named message passing, thereby their theoretical expressive power is limited to the…

Machine Learning · Computer Science 2023-09-19 Dingmin Wang , Shengchao Liu , Hanchen Wang , Bernardo Cuenca Grau , Linfeng Song , Jian Tang , Song Le , Qi Liu

Entity alignment aims to use pre-aligned seed pairs to find other equivalent entities from different knowledge graphs (KGs) and is widely used in graph fusion-related fields. However, as the scale of KGs increases, manually annotating…

Computation and Language · Computer Science 2025-03-28 Tao Meng , Shuo Shan , Hongen Shao , Yuntao Shou , Wei Ai , Keqin Li

Graph neural networks (GNNs) are powerful tools on graph data. However, their predictions are mis-calibrated and lack interpretability, limiting their adoption in critical applications. To address this issue, we propose a new…

Machine Learning · Computer Science 2025-08-26 Lingkai Kong , Haotian Sun , Yuchen Zhuang , Haorui Wang , Wenhao Mu , Chao Zhang

Dimensionality reduction techniques map data represented on higher dimensions onto lower dimensions with varying degrees of information loss. Graph dimensionality reduction techniques adopt the same principle of providing latent…

Machine Learning · Computer Science 2022-11-11 Akhil Pandey Akella

Knowledge Graph (KG) embeddings provide a low-dimensional representation of entities and relations of a Knowledge Graph and are used successfully for various applications such as question answering and search, reasoning, inference, and…

Artificial Intelligence · Computer Science 2021-10-22 Biswesh Mohapatra , Sumit Bhatia , Raghava Mutharaju , G. Srinivasaraghavan