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
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