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Message passing plays a vital role in graph neural networks (GNNs) for effective feature learning. However, the over-reliance on input topology diminishes the efficacy of message passing and restricts the ability of GNNs. Despite efforts to…

Machine Learning · Computer Science 2024-12-03 Junshu Sun , Chenxue Yang , Xiangyang Ji , Qingming Huang , Shuhui Wang

Cross-lingual text classification aims at training a classifier on the source language and transferring the knowledge to target languages, which is very useful for low-resource languages. Recent multilingual pretrained language models…

Computation and Language · Computer Science 2021-05-25 Ziyun Wang , Xuan Liu , Peiji Yang , Shixing Liu , Zhisheng Wang

Accurately simulating physics is crucial across scientific domains, with applications spanning from robotics to materials science. While traditional mesh-based simulations are precise, they are often computationally expensive and require…

Machine Learning · Computer Science 2025-10-23 Philipp Dahlinger , Tai Hoang , Denis Blessing , Niklas Freymuth , Gerhard Neumann

A common practice in heterogeneous graph neural networks (HGNNs) is to condition parameters on node/edge types, assuming types reflect semantic roles. However, this can cause overreliance on surface-level labels and impede cross-type…

Machine Learning · Computer Science 2026-01-23 Georgiy Shakirov , Albert Arakelov

We present MeshGraphNet-Transformer (MGN-T), a novel architecture that combines the global modeling capabilities of Transformers with the geometric inductive bias of MeshGraphNets, while preserving a mesh-based graph representation. MGN-T…

Machine Learning · Computer Science 2026-02-06 Mikel M. Iparraguirre , Iciar Alfaro , David Gonzalez , Elias Cueto

AMR-to-text generation is used to transduce Abstract Meaning Representation structures (AMR) into text. A key challenge in this task is to efficiently learn effective graph representations. Previously, Graph Convolution Networks (GCNs) were…

Computation and Language · Computer Science 2020-10-12 Yan Zhang , Zhijiang Guo , Zhiyang Teng , Wei Lu , Shay B. Cohen , Zuozhu Liu , Lidong Bing

Text-attributed graphs (TAGs) present unique challenges in representation learning by requiring models to capture both the semantic richness of node-associated texts and the structural dependencies of the graph. While graph neural networks…

Computation and Language · Computer Science 2026-05-26 Azadeh Beiranvand , Seyed Mehdi Vahidipour

The performance of Neural Network (NN)-based language models is steadily improving due to the emergence of new architectures, which are able to learn different natural language characteristics. This paper presents a novel framework, which…

Computation and Language · Computer Science 2017-08-24 Youssef Oualil , Dietrich Klakow

Graph-based neural networks and, specifically, message-passing neural networks (MPNNs) have shown great potential in predicting physical properties of solids. In this work, we train an MPNN to first classify materials through density…

Computational Physics · Physics 2023-09-13 Tim Bechtel , Daniel T. Speckhard , Jonathan Godwin , Claudia Draxl

Foundation models like ChatGPT and GPT-4 have revolutionized artificial intelligence, exhibiting remarkable abilities to generalize across a wide array of tasks and applications beyond their initial training objectives. However, graph…

Machine Learning · Computer Science 2025-01-22 Yufei He , Yuan Sui , Xiaoxin He , Bryan Hooi

In federated graph learning (FGL), a complete graph is divided into multiple subgraphs stored in each client due to privacy concerns, and all clients jointly train a global graph model by only transmitting model parameters. A pain point of…

Machine Learning · Computer Science 2025-03-26 Bo Yan , Zhongjian Zhang , Huabin Sun , Mengmei Zhang , Yang Cao , Chuan Shi

Molecular interactions often involve high-order relationships that cannot be fully captured by traditional graph-based models limited to pairwise connections. Hypergraphs naturally extend graphs by enabling multi-way interactions, making…

Machine Learning · Computer Science 2025-05-12 Tien Dang , Truong-Son Hy

Accurate prediction of blood-brain barrier permeability (BBBP) is essential for central nervous system (CNS) drug development. While graph neural networks (GNNs) have advanced molecular property prediction, they often rely on molecular…

Machine Learning · Computer Science 2025-12-09 Trung Nguyen , Md Masud Rana , Farjana Tasnim Mukta , Chang-Guo Zhan , Duc Duy Nguyen

In recent years, graph neural networks (GNNs) have gained significant attention for node classification tasks on graph-structured data. However, traditional GNNs primarily focus on adjacency relationships between nodes, often overlooking…

Machine Learning · Computer Science 2025-11-17 A. Quadir , M. Tanveer

Graph neural networks (GNN) extends deep learning to graph-structure dataset. Similar to Convolutional Neural Networks (CNN) using on image prediction, convolutional and pooling layers are the foundation to success for GNN on graph…

Machine Learning · Computer Science 2023-02-28 Lingjie Kong , Yun Liao

Numerical simulation of multi-phase fluid dynamics in porous media is critical to a variety of geoscience applications. Data-driven surrogate models using Convolutional Neural Networks (CNNs) have shown promise but are constrained to…

Computational Physics · Physics 2024-12-18 Jiamin Jiang , Jingrun Chen , Zhouwang Yang

Graph Neural Networks (GNNs) excel in node classification tasks but often assume homophily, where connected nodes share similar labels. This assumption does not hold in many real-world heterophilic graphs. Existing models for heterophilic…

Machine Learning · Computer Science 2025-10-10 Yumeng Wang , Zengyi Wo , Wenjun Wang , Xingcheng Fu , Minglai Shao

Model merging enables powerful capabilities in neural networks without requiring additional training. In this paper, we introduce a novel perspective on model merging by leveraging the fundamental mechanisms of neural network…

Machine Learning · Computer Science 2025-09-19 Haiquan Qiu , You Wu , Dong Li , Jianmin Guo , Quanming Yao

Graphs with abundant attributes are essential in modeling interconnected entities and enhancing predictions across various real-world applications. Traditional Graph Neural Networks (GNNs) often require re-training for different graph tasks…

Computation and Language · Computer Science 2026-05-26 Yanchao Tan , Hang Lv , Pengxiang Zhan , Shiping Wang , Carl Yang

Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

Machine Learning · Computer Science 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu
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