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Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to particle mechanics. Machine learning methods have achieved…

Deep learning methods have access to be employed for solving physical systems governed by parametric partial differential equations (PDEs) due to massive scientific data. It has been refined to operator learning that focuses on learning…

Machine Learning · Computer Science 2024-03-06 Chu Wang , Jinhong Wu , Yanzhi Wang , Zhijian Zha , Qi Zhou

Unsupervised graph representation learning has recently gained interest in several application domains such as neuroscience, where modeling the diverse morphology of cell types in the brain is one of the key challenges. It is currently…

Machine Learning · Statistics 2023-07-12 Marissa A. Weis , Laura Hansel , Timo Lüddecke , Alexander S. Ecker

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of…

Machine Learning · Computer Science 2023-01-18 Ladislav Rampášek , Mikhail Galkin , Vijay Prakash Dwivedi , Anh Tuan Luu , Guy Wolf , Dominique Beaini

In the last years, an increasing number of learning-based approaches have been proposed to tackle combinatorial optimization problems such as routing problems. Many of these approaches are based on graph neural networks (GNNs) or related…

Machine Learning · Computer Science 2025-09-30 Attila Lischka , Filip Rydin , Jiaming Wu , Morteza Haghir Chehreghani , Balázs Kulcsár

Neural operators are a new type of models that can map between function spaces, allowing trained models to emulate the solution operators of partial differential equations (PDEs). This paper proposes a multigrid Fourier neural operator…

Numerical Analysis · Mathematics 2025-05-22 Zi-Hao Guo , Hou-Biao Li

Session-based recommendation systems suggest relevant items to users by modeling user behavior and preferences using short-term anonymous sessions. Existing methods leverage Graph Neural Networks (GNNs) that propagate and aggregate…

Information Retrieval · Computer Science 2022-01-10 Sai Mitheran , Abhinav Java , Surya Kant Sahu , Arshad Shaikh

The very challenging task of learning solution operators of PDEs on arbitrary domains accurately and efficiently is of vital importance to engineering and industrial simulations. Despite the existence of many operator learning algorithms to…

Machine Learning · Computer Science 2026-01-14 Shizheng Wen , Arsh Kumbhat , Levi Lingsch , Sepehr Mousavi , Yizhou Zhao , Praveen Chandrashekar , Siddhartha Mishra

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…

Machine Learning · Computer Science 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

Learning-based MIMO detection has shown strong empirical performance, yet existing methods typically rely on fixed-depth architectures without explicitly modeling the progressive refinement of symbol estimates. In this paper, we revisit…

Information Theory · Computer Science 2026-05-04 Nan Jiang , Jiadong Hong , Lei Liu , Xinyu Bian , Wenjie Wang , Zhaoyang Zhang

The paradigm of Transformers using the self-attention mechanism has manifested its advantage in learning graph-structured data. Yet, Graph Transformers are capable of modeling full range dependencies but are often deficient in extracting…

Machine Learning · Computer Science 2024-09-11 Minhong Zhu , Zhenhao Zhao , Weiran Cai

Graph Transformer (GT) has recently emerged as a promising neural network architecture for learning graph-structured data. However, its global attention mechanism with quadratic complexity concerning the graph scale prevents wider…

Machine Learning · Computer Science 2024-12-09 Ningyi Liao , Zihao Yu , Siqiang Luo

Dynamic graphs (DG) are often used to describe evolving interactions between nodes in real-world applications. Temporal patterns are a natural feature of DGs and are also key to representation learning. However, existing dynamic GCN models…

Machine Learning · Computer Science 2024-08-07 Ling Wang , Yixiang Huang , Hao Wu

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Machine Learning · Computer Science 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

We introduce the Graded Transformer framework, a new class of sequence models that embeds algebraic inductive biases through grading transformations on vector spaces. Extending Graded Neural Networks (GNNs), we propose two architectures:…

Machine Learning · Computer Science 2025-09-03 Tony Shaska

Existing Graph Neural Networks (GNNs) are limited to process graphs each of whose vertices is represented by a vector or a single value, limited their representing capability to describe complex objects. In this paper, we propose the first…

Machine Learning · Computer Science 2024-07-02 Jiongshu Wang , Jing Yang , Jiankang Deng , Hatice Gunes , Siyang Song

Neural combinatorial optimization (NCO) solvers, implemented with graph neural networks (GNNs), have introduced new approaches for solving routing problems. Trained with reinforcement learning (RL), the state-of-the-art graph attention…

Machine Learning · Computer Science 2026-01-30 Licheng Wang , Yuzi Yan , Mingtao Huang , Yuan Shen

We propose an extension to the transformer neural network architecture for general-purpose graph learning by adding a dedicated pathway for pairwise structural information, called edge channels. The resultant framework - which we call…

Machine Learning · Computer Science 2022-06-06 Md Shamim Hussain , Mohammed J. Zaki , Dharmashankar Subramanian

Neural operators have emerged as a powerful, data-driven paradigm for learning solution operators of partial differential equations (PDEs). State-of-the-art architectures, such as the Fourier Neural Operator (FNO), have achieved remarkable…

Machine Learning · Computer Science 2025-08-08 Saman Pordanesh , Pejman Shahsavari , Hossein Ghadjari
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