Title
SA-GAT-SR: Self-Adaptable Graph Attention Networks with Symbolic Regression for high-fidelity material property prediction Liu Junchi Tang Ying Tretiak Sergei Duan Wenhui Zhou Liujiang 33 0 0 01 May 2025
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G-OSR: A Comprehensive Benchmark for Graph Open-Set Recognition Yicong Dong Rundong He Guangyao Chen Wentao Zhang Zhongyi Han Jieming Shi Yilong Yin 43 0 0 01 Mar 2025
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Graph-Aware Isomorphic Attention for Adaptive Dynamics in Transformers Markus J. Buehler AI4CE 35 1 0 04 Jan 2025
Introduction to Graph Neural Networks: A Starting Point for Machine Learning Engineers James H. Tanis Chris Giannella Adrian V. Mariano AI4CE GNN FaML PINN 51 0 0 27 Dec 2024
Multi-Class and Multi-Task Strategies for Neural Directed Link Prediction Claudio Moroni Claudio Borile Carolina Mattsson Michele Starnini Andre' Panisson 64 0 0 14 Dec 2024
A Dynamical Systems-Inspired Pruning Strategy for Addressing Oversmoothing in Graph Neural Networks Biswadeep Chakraborty H. Kumar Saibal Mukhopadhyay 75 1 0 10 Dec 2024
Predicting the Temperature-Dependent CMC of Surfactant Mixtures with Graph Neural Networks Christoforos Brozos Jan G. Rittig Elie Akanny Sandip Bhattacharya Christina Kohlmann Alexander Mitsos 22 0 0 04 Nov 2024
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Graph Classification Gaussian Processes via Hodgelet Spectral Features Mathieu Alain So Takao Xiaowen Dong Bastian Alexander Rieck Emmanuel Noutahi 22 1 0 14 Oct 2024
Towards Stable, Globally Expressive Graph Representations with Laplacian Eigenvectors Junru Zhou Cai Zhou Xiyuan Wang Pan Li Muhan Zhang 30 0 0 13 Oct 2024
Molecular topological deep learning for polymer property prediction Cong Shen Yipeng Zhang Fei Han Kelin Xia AI4CE 23 0 0 07 Oct 2024
Learning Ordering in Crystalline Materials with Symmetry-Aware Graph Neural Networks Jiayu Peng James K. Damewood Jessica Karaguesian Jaclyn R. Lunger Rafael Gómez-Bombarelli AI4CE 40 2 0 20 Sep 2024
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From Graphs to Qubits: A Critical Review of Quantum Graph Neural Networks Andrea Ceschini Francesco Mauro Francesca De Falco A. Sebastianelli A. Verdone A. Rosato Bertrand Le Saux Massimo Panella Paolo Gamba Silvia Liberata Ullo GNN AI4CE 27 0 0 12 Aug 2024
TSC: A Simple Two-Sided Constraint against Over-Smoothing Furong Peng Kang Liu Xuan Lu Yuhua Qian HongRen Yan Chao Ma 43 0 0 06 Aug 2024
A review of graph neural network applications in mechanics-related domains Yingxue Zhao Haoran Li Haosu Zhou H. Attar Tobias Pfaff Nan Li AI4CE 27 5 0 10 Jul 2024
Thermodynamics-Consistent Graph Neural Networks Jan G. Rittig Alexander Mitsos AI4CE 14 7 0 08 Jul 2024
DiGRAF: Diffeomorphic Graph-Adaptive Activation Function Krishna Sri Ipsit Mantri Xinzhi Wang Carola-Bibiane Schönlieb Bruno Ribeiro Beatrice Bevilacqua Moshe Eliasof GNN 44 1 0 02 Jul 2024
GC-Bench: A Benchmark Framework for Graph Condensation with New Insights Shengbo Gong Juntong Ni Noveen Sachdeva Carl Yang Wei Jin DD 34 3 0 24 Jun 2024
On the Feasibility of Fidelity $^-$ for Graph Pruning Yong-Min Shin Won-Yong Shin 21 0 0 17 Jun 2024
Using GNN property predictors as molecule generators Felix Therrien Edward H. Sargent Oleksandr Voznyy 29 1 0 05 Jun 2024
LLM and GNN are Complementary: Distilling LLM for Multimodal Graph Learning Junjie Xu Zongyu Wu Min Lin Xiang Zhang Suhang Wang 30 11 0 03 Jun 2024
SE3Set: Harnessing equivariant hypergraph neural networks for molecular representation learning Hongfei Wu Lijun Wu Guoqing Liu Zhirong Liu Bin Shao Zun Wang 30 1 0 26 May 2024
Analysis of Corrected Graph Convolutions Robert Wang Aseem Baranwal K. Fountoulakis 29 0 0 22 May 2024
Input Snapshots Fusion for Scalable Discrete-Time Dynamic Graph Neural Networks QingGuo Qi Hongyang Chen Minhao Cheng Han Liu 23 0 0 11 May 2024
Acceleration Algorithms in GNNs: A Survey Lu Ma Zeang Sheng Xunkai Li Xin Gao Zhezheng Hao Ling Yang Wentao Zhang Bin Cui GNN 34 3 0 07 May 2024
Physics-Informed Neural Networks: Minimizing Residual Loss with Wide Networks and Effective Activations Nima Hosseini Dashtbayaz G. Farhani Boyu Wang Charles X. Ling 19 0 0 02 May 2024
Lying Graph Convolution: Learning to Lie for Node Classification Tasks Daniele Castellana 22 0 0 02 May 2024
Efficient and Flexible Method for Reducing Moderate-size Deep Neural Networks with Condensation Tianyi Chen Zhi-Qin John Xu 16 1 0 02 May 2024
Global Concept Explanations for Graphs by Contrastive Learning Jonas Teufel Pascal Friederich 23 1 0 25 Apr 2024
Optimizing OOD Detection in Molecular Graphs: A Novel Approach with Diffusion Models Xu Shen Yili Wang Kaixiong Zhou Shirui Pan Xin Wang 27 6 0 24 Apr 2024
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Delayed Bottlenecking: Alleviating Forgetting in Pre-trained Graph Neural Networks Zhe Zhao Pengkun Wang Xu Wang Haibin Wen Xiaolong Xie Zhengyang Zhou Qingfu Zhang Yang Wang AI4CE CLL 13 0 0 23 Apr 2024
Generative Probabilistic Planning for Optimizing Supply Chain Networks Hyung-il Ahn Santiago Olivar Hershel Mehta Young Chol Song 19 0 0 11 Apr 2024
Spectral Graph Pruning Against Over-Squashing and Over-Smoothing Adarsh Jamadandi Celia Rubio-Madrigal R. Burkholz 30 1 0 06 Apr 2024
Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model Yanpeng Ye Jie Ren Shaozhou Wang Yuwei Wan Haofen Wang B. Hoex Tong Xie Tong Xie Wenjie Zhang AI4CE 35 1 0 03 Apr 2024
A Review of Graph Neural Networks in Epidemic Modeling Zewen Liu Guancheng Wan B. A. Prakash Max S. Y. Lau Wei-dong Jin AI4CE 26 36 0 28 Mar 2024
Simple Graph Condensation Zhenbang Xiao Yu Wang Shunyu Liu Huiqiong Wang Mingli Song Tongya Zheng DD 61 6 0 22 Mar 2024
Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminium-Exchanged Zeolites Marko Petković J. M. Vicent‐Luna Vlado Menkovski Sofía Calero 21 0 0 19 Mar 2024
Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding Tatsunori Taniai Ryo Igarashi Yuta Suzuki Naoya Chiba Kotaro Saito Yoshitaka Ushiku K. Ono 39 8 0 18 Mar 2024
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