arXiv:2602. 20573v3 Announce Type: replace Abstract: Molecules are often represented as SMILES strings, which can be readily converted to hand-crafted descriptors or fingerprints (FP) for molecular property prediction.
By Rajan, Ishaan Gupta
arXiv:2605. 15511v2 Announce Type: replace Abstract: Graph Neural Networks (GNNs) have become the dominant framework for inductive graph-level learning.
By Louisa Cornelis, Johan Mathe, Louis Van Langendonck, Guillermo Bern\'ardez, Nina Miolane
arXiv:2607. 05017v1 Announce Type: cross Abstract: The performance of deep learning models crucially depends on the settings of hyperparameters like learning rate, initialization scale, and weight decay.
By Gage DeZoort, Boris Hanin
arXiv:2511. 11046v3 Announce Type: replace-cross Abstract: Graph neural networks (GNNs) have become an indispensable tool for analyzing relational data.
By Brian Godwin Lim, Galvin Brice Lim, Renzo Roel Tan, Irwin King, Kazushi Ikeda
The paper reinterprets graph neural networks (GNNs) as retrieval-augmented models, where each layer uses an MLP on a node representation and a permutation‑invariant summary of retrieved graph context instead of traditional message passing. It introduces RTA, a lightweight MLP‑based framework that replaces structural message passing with label‑aware retrieval and propagation, and provides theoretical links to softmax‑attention message passing and robustness to mis‑retrieved outliers. Experiments on text‑attributed graph benchmarks demonstrate that RTA matches or surpasses strong GNN and graph LLM baselines while improving efficiency and robustness.
By Jintang Li, Yuhong Chen, Ruofan Wu, Binli Luo, Jiayi Ji, Hui Li, Rongrong Ji
arXiv:2603. 06952v2 Announce Type: replace Abstract: As graphs scale to billions of nodes and edges, graph Machine Learning workloads are constrained by the cost of multi-hop traversals over exponentially growing neighborhoods.
By Yuhang Song, Naima Abrar Shami, Romaric Duvignau, Vasiliki Kalavri
arXiv:2606. 29773v1 Announce Type: new Abstract: Graphs are widely used to model relational systems, with applications in domains such as social networks, finance, and biomedicine.
By Haoxin Sun, Yiqing Lin, Yajun Huang, Chenhui Dong, Mingjun Li, Zhongzhi Zhang
arXiv:2609.37057v1 Announce Type: new
Abstract: Achieving strong performance with graph neural networks (GNNs) typically requires training and hyperparameter tuning for each dataset, incurring repeat...
By Dooho Lee, Jinmo Lee, Minho Jeong, Kijung Shin, Jaemin Yoo
arXiv:2607. 16198v1 Announce Type: new Abstract: Graph Neural Networks (GNNs) have emerged as the leading paradigm for link prediction, enabling the inference of missing connections and the anticipation of potential future links.
By Chengcheng Sun, Yajie Song, Cheng Zhai, Jiayun Tian, Jia Yang, Xiaobin Rui, Jian Zhang, Zhixiao Wang, Philip S. Yu
arXiv:2505.11298v2 Announce Type: replace
Abstract: Graph Neural Networks (GNNs) are powerful tools for learning on structured data, yet the relationship between their expressivity and predictive per...
By Sohir Maskey, Raffaele Paolino, Fabian Jogl, Gitta Kutyniok, Johannes F. Lutzeyer
arXiv:2608. 02128v1 Announce Type: new Abstract: Training Graph Neural Networks on large graphs is challenged by the memory cost of storing all node representations across layers.
By Antonin Joly, Nicolas Keriven, Aline Roumy
arXiv:2606. 01283v1 Announce Type: new Abstract: Modeling spatial dependencies is central to spatiotemporal data analysis using Graph Neural Networks (GNNs).
By Zhongyue Zhang, Guangyin Jin, Yuxuan Liang, Suwan Yin, Yuankai Wu